#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 -0.13 0.10 1.61 0.15 -1.26 -5.12 113.70 109.04 2d99 s SER 2 Ca 0.00 -0.84 0.02 0.00 0.70 0.00 0.00 55.95 55.83 2d99 s SER 2 Cb 0.00 0.61 -0.04 0.00 -1.71 0.00 0.00 66.02 64.88 2d99 s SER 2 CO 0.00 -1.17 -0.07 -0.94 1.20 0.00 0.00 173.24 172.26 2d99 s SER 3 N -2.99 1.15 0.00 5.45 1.04 -1.26 -5.13 113.70 111.97 2d99 s SER 3 Ca 0.19 -1.01 0.00 0.00 0.48 0.00 0.00 55.95 55.62 2d99 s SER 3 Cb -0.02 0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2d99 s SER 3 CO 0.08 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2d99 n GLY 4 N -0.05 3.61 3.15 7.32 0.00 -1.26 -5.14 105.19 112.82 2d99 n GLY 4 Ca -0.12 -0.57 0.04 0.00 0.00 0.00 0.00 46.02 45.38 2d99 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2d99 s SER 5 N 0.00 -1.37 0.07 1.61 1.04 -1.26 -4.91 113.70 108.88 2d99 s SER 5 Ca 0.00 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.59 2d99 s SER 5 Cb 0.00 1.87 0.00 0.00 0.10 0.00 0.00 66.02 67.99 2d99 s SER 5 CO 0.00 -0.25 0.00 -0.24 0.98 0.00 0.00 173.24 173.73 2d99 n SER 6 N 5.35 -0.04 -4.69 7.02 2.88 -1.26 -5.08 113.62 117.80 2d99 n SER 6 Ca 0.06 0.12 -0.30 0.00 -1.33 0.00 0.00 58.87 57.42 2d99 n SER 6 Cb 0.55 0.10 0.15 0.00 -0.75 0.00 0.00 64.21 64.26 2d99 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2d99 s GLY 7 N -4.22 1.62 -0.09 0.46 0.00 -1.26 -4.93 107.32 98.90 2d99 s GLY 7 Ca 0.00 0.04 -0.11 0.00 0.00 0.00 0.00 44.72 44.65 2d99 s GLY 7 CO 0.00 0.54 0.38 1.41 0.00 0.00 0.00 173.10 175.42 2d99 h LEU 8 N -1.70 -0.09 -1.24 0.66 3.38 -1.99 -2.61 115.31 111.72 2d99 h LEU 8 Ca -0.50 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.15 2d99 h LEU 8 Cb 1.28 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 2d99 h LEU 8 CO 0.52 0.51 -0.14 -0.09 0.09 0.00 0.00 178.44 179.34 2d99 h ARG 9 N -1.00 0.35 -0.22 1.13 2.43 -1.94 -1.71 114.38 113.43 2d99 h ARG 9 Ca -0.01 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.00 2d99 h ARG 9 Cb 0.34 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 2d99 h ARG 9 CO 0.02 0.50 -0.13 -0.22 -1.51 0.00 0.00 179.97 178.62 2d99 h LYS 10 N 0.33 0.36 0.31 0.20 1.63 -1.94 0.21 116.57 117.68 2d99 h LYS 10 Ca 0.06 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.75 2d99 h LYS 10 Cb 0.44 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.03 2d99 h LYS 10 CO 0.03 0.50 -0.15 0.52 -3.45 0.00 0.00 179.45 176.90 2d99 h MET 11 N 0.34 -0.40 0.00 1.90 2.86 -0.93 -3.09 114.93 115.61 2d99 h MET 11 Ca 0.07 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2d99 h MET 11 Cb 0.44 0.09 -0.00 0.00 0.06 0.00 0.00 31.60 32.20 2d99 h MET 11 CO 0.03 -0.08 -0.04 -0.24 1.06 0.00 0.00 176.91 177.63 2d99 h VAL 12 N -0.94 0.43 -0.57 -2.22 3.04 -1.32 -1.81 116.25 112.86 2d99 h VAL 12 Ca -0.04 -0.22 0.04 0.00 -1.01 0.00 0.00 66.70 65.47 2d99 h VAL 12 Cb 0.51 1.15 -0.04 0.00 -2.01 0.00 0.00 31.29 30.89 2d99 h VAL 12 CO 0.07 0.04 0.32 -0.33 -1.01 0.00 0.00 177.57 176.67 2d99 h GLU 13 N 0.00 0.61 0.03 4.17 4.39 -0.49 -1.93 114.58 121.36 2d99 h GLU 13 Ca -0.00 -0.04 -0.26 0.00 0.34 0.00 0.00 59.36 59.40 2d99 h GLU 13 Cb 0.14 -0.14 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2d99 h GLU 13 CO 0.01 0.40 -1.06 1.05 -1.16 0.00 0.00 179.01 178.25 2d99 h GLU 14 N 0.63 0.56 0.00 2.33 4.11 -1.31 -3.15 114.58 117.76 2d99 h GLU 14 Ca 0.24 -0.65 0.00 0.00 0.07 0.00 0.00 59.36 59.02 2d99 h GLU 14 Cb 0.08 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2d99 h GLU 14 CO -0.13 1.26 0.00 0.28 0.07 0.00 0.00 179.01 180.49 2d99 n VAL 15 N -3.79 0.00 -0.39 -1.06 0.31 -0.87 0.20 118.33 112.74 2d99 n VAL 15 Ca -0.10 1.33 0.31 0.00 -0.01 0.00 0.00 64.34 65.87 2d99 n VAL 15 Cb 0.90 -2.04 0.58 0.00 -0.91 0.00 0.00 33.84 32.37 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 0.62 0.49 3.52 0.04 -1.51 0.19 116.94 120.29 2d99 h PHE 16 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2d99 h PHE 16 Cb 0.00 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 37.99 2d99 h PHE 16 CO -0.30 -0.12 -0.24 -0.44 -0.60 0.00 0.00 178.31 176.61 2d99 h ASP 17 N 0.21 -0.56 -0.49 2.17 5.19 -1.06 -0.26 116.42 121.63 2d99 h ASP 17 Ca 0.74 0.02 0.06 0.00 -0.62 0.00 0.00 57.03 57.23 2d99 h ASP 17 Cb 2.12 0.15 -0.09 0.00 0.18 0.00 0.00 39.33 41.68 2d99 h ASP 17 CO -0.41 -0.28 -0.52 0.58 -3.12 0.00 0.00 179.24 175.49 2d99 h VAL 18 N -0.91 0.03 -0.22 -1.35 2.07 0.42 0.60 116.25 116.90 2d99 h VAL 18 Ca -0.07 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2d99 h VAL 18 Cb 0.51 0.03 -0.07 0.00 -1.52 0.00 0.00 31.29 30.24 2d99 h VAL 18 CO 0.11 0.00 -0.53 -0.07 0.02 0.00 0.00 177.57 177.10 2d99 h LEU 19 N -0.33 -1.72 -0.54 2.57 3.38 -0.80 0.89 115.31 118.77 2d99 h LEU 19 Ca 0.11 0.21 0.11 0.00 0.09 0.00 0.00 57.88 58.39 2d99 h LEU 19 Cb 0.58 0.68 -0.11 0.00 0.09 0.00 0.00 40.66 41.90 2d99 h LEU 19 CO -0.64 -0.44 -0.24 0.22 0.09 0.00 0.00 178.44 177.43 2d99 h TYR 20 N -0.51 -0.61 -0.99 1.13 3.20 0.28 0.32 116.97 119.80 2d99 h TYR 20 Ca 0.04 0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.01 2d99 h TYR 20 Cb 0.63 0.35 -0.06 0.00 1.54 0.00 0.00 36.73 39.19 2d99 h TYR 20 CO -0.63 -0.32 0.64 1.03 -1.64 0.00 0.00 178.16 177.24 2d99 h SER 21 N -0.11 1.08 0.07 -2.11 0.87 0.14 0.25 113.55 113.74 2d99 h SER 21 Ca 0.24 -0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.79 2d99 h SER 21 Cb 0.49 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.21 2d99 h SER 21 CO -0.61 0.74 -0.04 -0.33 -0.53 0.00 0.00 176.83 176.07 2d99 h GLU 22 N 1.25 -0.10 -0.21 2.24 5.08 0.40 0.69 114.58 123.95 2d99 h GLU 22 Ca 0.39 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.72 2d99 h GLU 22 Cb -0.01 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2d99 h GLU 22 CO -0.12 -0.05 -0.05 0.00 -1.00 0.00 0.00 179.01 177.80 2d99 h ALA 23 N 0.81 1.54 0.00 3.43 0.00 -0.02 -0.32 119.26 124.70 2d99 h ALA 23 Ca -0.01 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 2d99 h ALA 23 Cb 0.09 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2d99 h ALA 23 CO 0.02 0.33 -0.26 -0.07 0.00 0.00 0.00 179.25 179.27 2d99 h LEU 24 N 0.30 0.00 -1.29 0.00 3.38 0.22 -3.48 115.31 114.45 2d99 h LEU 24 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 2d99 h LEU 24 Cb 0.28 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.14 2d99 h LEU 24 CO 0.01 0.26 -0.51 0.61 0.09 0.00 0.00 178.44 178.90 2d99 n GLY 25 N 0.68 -0.12 4.00 0.83 0.00 0.24 -5.03 105.19 105.79 2d99 n GLY 25 Ca 0.01 -0.04 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 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 -5.49 2.22 -0.21 1.61 1.81 -0.83 -5.05 118.95 113.01 2d99 s ARG 26 Ca 0.23 -1.23 -0.16 0.00 -1.72 0.00 0.00 55.73 52.84 2d99 s ARG 26 Cb -0.10 -2.53 -0.19 0.00 -0.45 0.00 0.00 34.95 31.69 2d99 s ARG 26 CO 0.52 -0.94 0.09 0.00 -0.68 0.00 0.00 175.30 174.29 2d99 n ALA 27 N -2.40 0.93 -2.64 2.13 0.00 -1.26 -4.89 120.51 112.38 2d99 n ALA 27 Ca 0.13 -0.67 -0.23 0.00 0.00 0.00 0.00 53.44 52.66 2d99 n ALA 27 Cb 0.60 -0.40 -0.01 0.00 0.00 0.00 0.00 19.45 19.64 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 -7.01 6.21 -0.34 0.00 0.01 -1.26 -4.98 113.70 106.34 2d99 s SER 28 Ca -0.30 0.35 -0.25 0.00 1.31 0.00 0.00 55.95 57.06 2d99 s SER 28 Cb 0.08 -1.90 0.01 0.00 0.21 0.00 0.00 66.02 64.42 2d99 s SER 28 CO 0.60 -0.33 0.86 -0.69 0.41 0.00 0.00 173.24 174.09 2d99 s VAL 29 N -2.30 4.69 0.18 3.43 1.01 -1.26 -4.94 120.40 121.21 2d99 s VAL 29 Ca 0.41 1.20 0.02 0.00 0.00 0.00 0.00 61.98 63.60 2d99 s VAL 29 Cb -0.10 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2d99 s VAL 29 CO 0.35 -0.39 0.32 0.68 0.00 0.00 0.00 175.10 176.06 2d99 s VAL 30 N 3.21 5.28 0.98 2.92 -7.23 -1.26 -5.06 120.40 119.24 2d99 s VAL 30 Ca 0.35 -0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 59.75 2d99 s VAL 30 Cb -0.13 -3.75 0.18 0.00 0.56 0.00 0.00 36.38 33.23 2d99 s VAL 30 CO 0.15 -0.15 1.17 -2.16 -0.31 0.00 0.00 175.10 173.81 2d99 s PRO 31 N -3.35 0.58 -0.38 4.82 0.04 -1.26 -4.65 135.00 130.79 2d99 s PRO 31 Ca 0.36 0.07 -0.00 0.00 0.04 0.00 0.00 61.00 61.46 2d99 s PRO 31 Cb -0.11 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.74 2d99 s PRO 31 CO 0.29 -2.54 0.14 -1.17 0.04 0.00 0.00 177.00 173.76 2d99 s LEU 32 N -6.18 5.00 -1.14 -3.56 2.96 -1.26 -4.97 118.68 109.54 2d99 s LEU 32 Ca 0.67 -2.03 -0.19 0.00 -0.22 0.00 0.00 54.13 52.37 2d99 s LEU 32 Cb -0.11 -1.75 -0.05 0.00 0.50 0.00 0.00 46.19 44.77 2d99 s LEU 32 CO 0.54 -0.47 2.01 -0.81 -1.32 0.00 0.00 176.35 176.29 2d99 n PRO 33 N 4.48 2.22 -0.15 0.98 -0.04 -1.26 -4.75 135.00 136.48 2d99 n PRO 33 Ca -0.01 -2.39 -0.05 0.00 -0.04 0.00 0.00 63.50 61.01 2d99 n PRO 33 Cb 0.42 -3.24 0.01 0.00 -0.04 0.00 0.00 33.50 30.65 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 7.43 -0.72 -1.64 0.54 0.05 -1.96 0.36 116.97 121.03 2d99 h TYR 34 Ca 0.45 0.06 0.50 0.00 0.05 0.00 0.00 58.73 59.79 2d99 h TYR 34 Cb 0.72 0.39 -0.10 0.00 1.01 0.00 0.00 36.73 38.75 2d99 h TYR 34 CO 1.34 -0.34 1.14 -0.85 -1.05 0.00 0.00 178.16 178.39 2d99 n GLU 35 N -5.42 -0.01 -0.02 4.88 0.28 -1.26 0.20 120.64 119.29 2d99 n GLU 35 Ca 0.03 1.08 -0.01 0.00 -0.16 0.00 0.00 57.16 58.10 2d99 n GLU 35 Cb 0.33 -2.34 -0.00 0.00 1.43 0.00 0.00 31.44 30.86 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 -4.11 0.12 -0.55 3.44 1.74 0.11 -3.55 116.66 113.85 2d99 n ARG 36 Ca 0.40 0.26 0.45 0.00 -0.77 0.00 0.00 57.85 58.19 2d99 n ARG 36 Cb 1.73 -0.94 0.75 0.00 -1.02 0.00 0.00 32.46 32.98 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 -0.26 0.09 0.06 0.55 3.38 -0.01 1.45 115.31 120.57 2d99 h LEU 37 Ca 0.00 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2d99 h LEU 37 Cb 0.16 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2d99 h LEU 37 CO 0.00 -0.06 -0.03 -0.07 0.09 0.00 0.00 178.44 178.37 2d99 h LEU 38 N 0.03 -0.06 -0.72 1.67 3.38 0.21 -3.04 115.31 116.77 2d99 h LEU 38 Ca 0.84 -0.30 0.16 0.00 0.09 0.00 0.00 57.88 58.66 2d99 h LEU 38 Cb 3.11 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 43.77 2d99 h LEU 38 CO -0.15 0.27 0.16 -0.09 0.09 0.00 0.00 178.44 178.72 2d99 h ARG 39 N -0.40 0.25 -4.75 1.13 2.43 0.19 -3.32 114.38 109.91 2d99 h ARG 39 Ca -0.01 -0.02 -0.67 0.00 -0.81 0.00 0.00 59.98 58.48 2d99 h ARG 39 Cb 0.36 -0.06 -0.38 0.00 -0.42 0.00 0.00 29.97 29.47 2d99 h ARG 39 CO 0.01 0.17 -0.74 -1.83 -1.51 0.00 0.00 179.97 176.07 2d99 s GLU 40 N -6.05 1.87 0.31 0.20 -1.05 -0.81 -4.95 118.70 108.21 2d99 s GLU 40 Ca -0.13 -1.63 0.16 0.00 -0.15 0.00 0.00 54.97 53.22 2d99 s GLU 40 Cb 0.21 -3.11 0.40 0.00 -0.44 0.00 0.00 34.13 31.19 2d99 s GLU 40 CO 0.75 -0.78 1.60 -1.00 0.95 0.00 0.00 175.26 176.78 2d99 h PRO 41 N 7.73 0.00 -0.02 -4.83 0.13 -1.66 -3.06 132.00 130.29 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 0.51 0.50 -0.43 0.78 -0.23 0.00 0.00 178.00 179.13 2d99 h GLY 42 N 2.49 0.04 1.00 1.56 0.00 -1.92 -2.77 103.07 103.47 2d99 h GLY 42 Ca -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2d99 h GLY 42 CO 0.07 0.03 0.38 -2.00 0.00 0.00 0.00 176.54 175.02 2d99 h LEU 43 N 0.03 0.87 -6.31 3.11 5.85 -1.86 -3.31 115.31 113.68 2d99 h LEU 43 Ca -0.00 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.66 2d99 h LEU 43 Cb 0.78 -0.22 -0.23 0.00 0.37 0.00 0.00 40.66 41.36 2d99 h LEU 43 CO 0.06 0.71 -0.29 -0.22 -0.34 0.00 0.00 178.44 178.36 2d99 s LEU 44 N -9.95 -1.18 -0.17 2.25 2.96 -1.07 -1.73 118.68 109.79 2d99 s LEU 44 Ca -0.13 0.90 -0.09 0.00 -0.22 0.00 0.00 54.13 54.60 2d99 s LEU 44 Cb 0.14 1.98 -0.05 0.00 0.50 0.00 0.00 46.19 48.76 2d99 s LEU 44 CO 0.79 -0.26 0.13 0.00 -1.32 0.00 0.00 176.35 175.69 2d99 s ALA 45 N 2.80 3.75 -0.31 5.97 0.00 0.17 -4.70 121.76 129.44 2d99 s ALA 45 Ca 0.14 -0.67 -0.15 0.00 0.00 0.00 0.00 51.96 51.27 2d99 s ALA 45 Cb -0.14 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 2d99 s ALA 45 CO -0.19 0.34 0.38 0.08 0.00 0.00 0.00 175.76 176.37 2d99 s VAL 46 N -0.18 5.15 0.33 0.00 1.01 -1.26 -0.15 120.40 125.30 2d99 s VAL 46 Ca 0.11 0.32 0.09 0.00 0.00 0.00 0.00 61.98 62.49 2d99 s VAL 46 Cb -0.11 -3.78 -0.05 0.00 0.00 0.00 0.00 36.38 32.43 2d99 s VAL 46 CO 0.00 0.01 -0.01 -1.10 0.00 0.00 0.00 175.10 174.00 2d99 s GLN 47 N 2.09 2.05 -1.01 2.72 -1.52 0.87 -4.67 119.66 120.18 2d99 s GLN 47 Ca 0.14 -1.75 0.00 0.00 -1.95 0.00 0.00 55.36 51.80 2d99 s GLN 47 Cb -0.16 -1.92 0.00 0.00 -0.22 0.00 0.00 33.01 30.71 2d99 s GLN 47 CO 0.11 0.16 0.00 0.41 -0.25 0.00 0.00 175.29 175.72 2d99 n GLY 48 N -0.92 -0.10 3.79 3.09 0.00 -1.26 0.13 105.19 109.91 2d99 n GLY 48 Ca -0.04 -0.39 -0.30 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.39 2.46 -0.63 0.99 1.43 -1.26 -0.58 118.68 117.70 2d99 s LEU 49 Ca 0.00 1.26 -0.27 0.00 -1.03 0.00 0.00 54.13 54.08 2d99 s LEU 49 Cb 0.00 -3.80 0.01 0.00 0.03 0.00 0.00 46.19 42.43 2d99 s LEU 49 CO 0.00 -2.14 1.53 -2.16 0.23 0.00 0.00 176.35 173.82 2d99 s PRO 50 N -5.16 3.04 0.20 1.29 0.04 -1.26 -4.90 135.00 128.25 2d99 s PRO 50 Ca 0.62 0.32 -0.13 0.00 0.04 0.00 0.00 61.00 61.84 2d99 s PRO 50 Cb -0.15 -4.23 -0.09 0.00 0.04 0.00 0.00 34.50 30.07 2d99 s PRO 50 CO 0.54 -2.27 0.11 0.39 0.04 0.00 0.00 177.00 175.81 2d99 n GLU 51 N 9.06 0.00 -2.64 4.56 1.02 -1.26 -3.10 120.64 128.27 2d99 n GLU 51 Ca 0.12 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.19 2d99 n GLU 51 Cb 0.50 -0.56 0.04 0.00 -0.02 0.00 0.00 31.44 31.39 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 1.27 0.13 0.00 0.62 0.00 -1.26 -5.03 105.19 100.93 2d99 n GLY 52 Ca 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.32 0.00 -3.68 0.99 4.77 -1.18 -5.07 117.00 110.51 2d99 n LEU 53 Ca -0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 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 0.26 0.00 0.23 0.00 -1.33 0.00 0.00 177.39 176.55 2d99 s ALA 54 N -1.04 -1.37 -0.16 -1.18 0.00 -1.26 -5.05 121.76 111.70 2d99 s ALA 54 Ca 0.00 1.59 -0.29 0.00 0.00 0.00 0.00 51.96 53.27 2d99 s ALA 54 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 23.12 22.13 2d99 s ALA 54 CO 0.00 -0.27 2.16 0.34 0.00 0.00 0.00 175.76 177.99 2d99 n PHE 55 N 2.93 2.09 -3.80 0.00 7.35 -1.26 -4.89 117.46 119.88 2d99 n PHE 55 Ca -0.14 -0.18 -0.05 0.00 -0.76 0.00 0.00 57.45 56.32 2d99 n PHE 55 Cb 0.56 -2.74 -0.01 0.00 0.35 0.00 0.00 39.48 37.64 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 5.87 1.45 0.53 -4.13 1.70 -1.26 -5.04 118.95 118.07 2d99 s ARG 56 Ca 0.98 -0.81 -0.18 0.00 -0.47 0.00 0.00 55.73 55.25 2d99 s ARG 56 Cb -0.38 0.49 -0.12 0.00 -0.57 0.00 0.00 34.95 34.37 2d99 s ARG 56 CO 0.38 -0.67 0.20 0.54 -1.08 0.00 0.00 175.30 174.67 2d99 n ARG 57 N -0.48 0.25 0.23 3.89 1.74 -1.26 -4.80 116.66 116.23 2d99 n ARG 57 Ca -0.05 0.10 0.13 0.00 -0.77 0.00 0.00 57.85 57.25 2d99 n ARG 57 Cb 0.60 -1.34 0.39 0.00 -1.02 0.00 0.00 32.46 31.09 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 -1.94 -2.49 132.00 133.40 2d99 h PRO 58 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2d99 h PRO 58 Cb 1.43 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2d99 h PRO 58 CO 0.45 0.09 -0.62 0.00 -0.23 0.00 0.00 178.00 177.69 2d99 h ALA 59 N 1.91 0.66 0.00 -0.56 0.00 -1.89 -3.25 119.26 116.13 2d99 h ALA 59 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2d99 h ALA 59 Cb 0.82 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2d99 h ALA 59 CO 0.01 0.00 -0.83 0.93 0.00 0.00 0.00 179.25 179.36 2d99 h GLU 60 N 0.00 0.00 -7.34 0.00 4.39 -1.82 -3.47 114.58 106.34 2d99 h GLU 60 Ca 0.00 0.00 -0.46 0.00 0.34 0.00 0.00 59.36 59.24 2d99 h GLU 60 Cb 0.91 0.00 0.16 0.00 -0.10 0.00 0.00 28.75 29.72 2d99 h GLU 60 CO 0.00 0.00 0.18 0.71 -1.16 0.00 0.00 179.01 178.74 2d99 s TYR 61 N -3.31 2.06 0.82 4.33 2.02 -0.97 -4.99 117.35 117.31 2d99 s TYR 61 Ca 0.02 1.05 -0.10 0.00 -0.37 0.00 0.00 57.07 57.66 2d99 s TYR 61 Cb 0.10 -3.24 0.18 0.00 -0.40 0.00 0.00 41.96 38.61 2d99 s TYR 61 CO 0.76 -2.92 1.12 -0.25 -1.57 0.00 0.00 175.55 172.69 2d99 n ASP 62 N -4.21 0.50 0.00 2.29 8.00 -1.26 -4.93 116.55 116.94 2d99 n ASP 62 Ca 0.05 -1.66 -0.11 0.00 0.71 0.00 0.00 54.79 53.79 2d99 n ASP 62 Cb 0.57 -0.82 -0.09 0.00 -0.02 0.00 0.00 41.12 40.76 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 -0.11 0.00 -0.24 0.13 -1.98 -2.80 132.00 127.01 2d99 h PRO 63 Ca -0.36 0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.74 2d99 h PRO 63 Cb 1.10 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 2d99 h PRO 63 CO 0.30 0.44 -0.13 0.87 -0.23 0.00 0.00 178.00 179.24 2d99 h LYS 64 N -0.86 0.00 0.80 0.86 6.56 -1.99 -2.97 116.57 118.98 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 0.59 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.26 2d99 h LYS 64 CO 0.02 0.13 -0.39 0.00 -2.06 0.00 0.00 179.45 177.15 2d99 h ALA 65 N 1.87 -1.08 -0.61 3.86 0.00 -1.94 -1.03 119.26 120.33 2d99 h ALA 65 Ca -0.00 -0.24 0.10 0.00 0.00 0.00 0.00 54.91 54.77 2d99 h ALA 65 Cb 0.43 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.52 2d99 h ALA 65 CO 0.02 -1.01 -0.40 -0.07 0.00 0.00 0.00 179.25 177.79 2d99 h LEU 66 N -1.28 -1.38 -1.52 0.00 3.38 -1.34 1.00 115.31 114.17 2d99 h LEU 66 Ca -0.11 0.24 0.17 0.00 0.09 0.00 0.00 57.88 58.28 2d99 h LEU 66 Cb 0.83 0.65 -0.06 0.00 0.09 0.00 0.00 40.66 42.17 2d99 h LEU 66 CO 0.18 -0.32 0.56 0.24 0.09 0.00 0.00 178.44 179.19 2d99 h MET 67 N -0.19 0.42 -0.00 1.13 2.86 -1.50 0.53 114.93 118.18 2d99 h MET 67 Ca 0.21 -0.03 -0.17 0.00 -2.06 0.00 0.00 59.70 57.65 2d99 h MET 67 Cb 0.56 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2d99 h MET 67 CO -0.70 0.28 -0.78 0.00 1.06 0.00 0.00 176.91 176.77 2d99 h ALA 68 N 1.62 0.70 -0.33 6.32 0.00 0.21 -2.19 119.26 125.58 2d99 h ALA 68 Ca 0.42 -0.69 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2d99 h ALA 68 Cb 1.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2d99 h ALA 68 CO -0.15 0.93 -0.42 0.82 0.00 0.00 0.00 179.25 180.42 2d99 h ILE 69 N 0.04 1.28 0.00 0.00 2.04 0.51 1.00 117.51 122.38 2d99 h ILE 69 Ca -0.02 -1.60 -0.08 0.00 1.00 0.00 0.00 64.86 64.16 2d99 h ILE 69 Cb 1.37 1.47 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 2d99 h ILE 69 CO 0.11 0.53 -0.36 -0.07 0.00 0.00 0.00 178.15 178.35 2d99 h LEU 70 N 0.68 0.00 0.18 1.44 3.38 -0.64 1.52 115.31 121.87 2d99 h LEU 70 Ca 0.05 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.67 2d99 h LEU 70 Cb 1.00 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.76 2d99 h LEU 70 CO 0.10 0.36 -1.76 -0.33 0.09 0.00 0.00 178.44 176.90 2d99 h GLU 71 N 0.00 0.38 0.00 1.13 5.08 -1.03 -3.32 114.58 116.82 2d99 h GLU 71 Ca -0.00 -0.65 0.00 0.00 -1.00 0.00 0.00 59.36 57.71 2d99 h GLU 71 Cb 0.79 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.28 2d99 h GLU 71 CO 0.05 1.31 -0.29 0.72 -1.00 0.00 0.00 179.01 179.80 2d99 n HIS 72 N -3.60 0.12 -0.28 4.33 8.25 0.34 -4.07 115.22 120.31 2d99 n HIS 72 Ca -0.26 0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.21 2d99 n HIS 72 Cb 1.07 -0.43 0.03 0.00 1.12 0.00 0.00 29.99 31.77 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 -1.24 -1.57 0.41 4.64 0.21 1.72 113.55 117.72 2d99 h SER 73 Ca 0.00 0.26 0.46 0.00 -0.47 0.00 0.00 61.79 62.04 2d99 h SER 73 Cb 0.54 0.64 -0.06 0.00 -0.31 0.00 0.00 62.40 63.21 2d99 h SER 73 CO 0.00 -0.30 1.22 1.12 -0.87 0.00 0.00 176.83 178.01 2d99 h HIS 74 N -0.09 0.00 0.05 4.77 2.07 -1.80 1.41 115.15 121.56 2d99 h HIS 74 Ca 0.29 0.00 -0.36 0.00 -2.85 0.00 0.00 60.37 57.45 2d99 h HIS 74 Cb 0.57 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 30.51 2d99 h HIS 74 CO -0.73 0.00 -2.11 0.54 -3.07 0.00 0.00 177.93 172.56 2d99 n ARG 75 N -3.85 0.70 -1.65 5.12 1.74 0.55 -4.92 116.66 114.35 2d99 n ARG 75 Ca 0.35 0.21 -0.56 0.00 -0.77 0.00 0.00 57.85 57.07 2d99 n ARG 75 Cb 1.71 -1.66 -0.07 0.00 -1.02 0.00 0.00 32.46 31.42 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 -3.23 0.14 -3.75 0.55 5.41 0.48 -4.27 119.36 114.69 2d99 n ILE 76 Ca -0.32 -0.02 -0.13 0.00 1.00 0.00 0.00 62.75 63.27 2d99 n ILE 76 Cb 1.05 -0.91 -0.14 0.00 -0.71 0.00 0.00 39.64 38.94 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 2.01 0.14 0.38 0.38 1.81 0.34 -4.93 118.95 119.07 2d99 s ARG 77 Ca 0.93 0.41 -0.13 0.00 -1.72 0.00 0.00 55.73 55.21 2d99 s ARG 77 Cb -1.08 -0.12 -0.08 0.00 -0.45 0.00 0.00 34.95 33.22 2d99 s ARG 77 CO 0.59 -0.15 0.78 -0.06 -0.68 0.00 0.00 175.30 175.78 2d99 s PHE 78 N 1.06 3.42 -0.11 -0.53 0.40 -1.26 -0.09 117.98 120.86 2d99 s PHE 78 Ca -0.08 1.18 -0.02 0.00 -0.60 0.00 0.00 56.93 57.41 2d99 s PHE 78 Cb -0.10 -2.53 0.04 0.00 0.51 0.00 0.00 43.02 40.94 2d99 s PHE 78 CO -0.06 -0.03 0.03 0.15 0.70 0.00 0.00 175.22 176.00 2d99 s LYS 79 N -3.43 0.48 0.41 0.44 -0.14 0.79 -4.88 119.74 113.41 2d99 s LYS 79 Ca 0.54 -0.03 -0.05 0.00 -1.36 0.00 0.00 55.97 55.06 2d99 s LYS 79 Cb -0.10 -1.33 -0.04 0.00 -1.68 0.00 0.00 37.83 34.67 2d99 s LYS 79 CO 0.24 -0.44 0.71 -0.51 -0.76 0.00 0.00 175.35 174.59 2d99 s LEU 80 N 1.98 3.80 0.57 3.17 1.43 -1.26 0.43 118.68 128.79 2d99 s LEU 80 Ca 0.03 0.87 0.27 0.00 -1.03 0.00 0.00 54.13 54.27 2d99 s LEU 80 Cb -0.14 -3.77 1.54 0.00 0.03 0.00 0.00 46.19 43.85 2d99 s LEU 80 CO -0.06 -0.44 2.06 0.07 0.23 0.00 0.00 176.35 178.21 2d99 h LYS 81 N 0.76 0.00 -5.35 1.70 2.10 -1.43 -3.39 116.57 110.96 2d99 h LYS 81 Ca -0.47 0.00 -0.61 0.00 -2.00 0.00 0.00 60.65 57.57 2d99 h LYS 81 Cb 1.20 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 32.42 2d99 h LYS 81 CO 0.63 0.00 -0.47 0.50 -2.00 0.00 0.00 179.45 178.11 2d99 s ARG 82 N -4.76 4.09 -0.32 0.07 3.52 -1.26 -5.05 118.95 115.23 2d99 s ARG 82 Ca -0.05 -0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.09 2d99 s ARG 82 Cb 0.16 -3.39 0.00 0.00 -1.56 0.00 0.00 34.95 30.17 2d99 s ARG 82 CO 0.60 0.37 1.36 -1.25 -0.81 0.00 0.00 175.30 175.57 2d99 s PRO 83 N 0.16 3.81 0.56 5.12 0.04 -1.26 -5.00 135.00 138.43 2d99 s PRO 83 Ca 0.10 1.20 0.06 0.00 0.04 0.00 0.00 61.00 62.40 2d99 s PRO 83 Cb -0.11 -3.94 0.05 0.00 0.04 0.00 0.00 34.50 30.54 2d99 s PRO 83 CO -0.00 -1.26 0.46 -1.12 0.04 0.00 0.00 177.00 175.11 2d99 s SER 84 N 3.26 4.65 0.08 6.66 0.01 -1.26 -5.15 113.70 121.94 2d99 s SER 84 Ca 0.59 -1.25 0.01 0.00 1.31 0.00 0.00 55.95 56.61 2d99 s SER 84 Cb -0.17 0.53 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 2d99 s SER 84 CO 0.26 -1.19 -0.06 -0.44 0.41 0.00 0.00 173.24 172.22 2d99 s SER 85 N -4.35 0.96 0.00 2.44 0.01 -1.26 -5.15 113.70 106.35 2d99 s SER 85 Ca 0.35 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.74 2d99 s SER 85 Cb -0.03 0.09 0.00 0.00 0.21 0.00 0.00 66.02 66.30 2d99 s SER 85 CO 0.22 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.08 2d99 n GLY 86 N 0.42 2.85 3.80 3.44 0.00 -1.26 -5.16 105.19 109.27 2d99 n GLY 86 Ca -0.16 0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.37 1.61 -0.27 1.61 0.04 -1.26 -5.08 135.00 131.28 2d99 s PRO 87 Ca 0.00 0.46 -0.38 0.00 0.04 0.00 0.00 61.00 61.12 2d99 s PRO 87 Cb 0.00 -1.88 0.15 0.00 0.04 0.00 0.00 34.50 32.82 2d99 s PRO 87 CO 0.00 -1.91 1.35 0.45 0.04 0.00 0.00 177.00 176.93 2d99 s SER 88 N -3.97 -0.04 -0.18 6.66 0.15 -1.26 -5.15 113.70 109.92 2d99 s SER 88 Ca 0.62 -0.00 0.01 0.00 0.70 0.00 0.00 55.95 57.28 2d99 s SER 88 Cb -0.15 0.04 0.02 0.00 -1.71 0.00 0.00 66.02 64.22 2d99 s SER 88 CO 0.54 -0.06 -0.20 -0.44 1.20 0.00 0.00 173.24 174.28 2d99 s SER 89 N -2.07 3.16 0.00 5.45 0.01 -1.26 -5.34 113.70 113.65 2d99 s SER 89 Ca 0.11 -0.67 0.28 0.00 1.31 0.00 0.00 55.95 56.98 2d99 s SER 89 Cb -0.01 -1.47 0.94 0.00 0.21 0.00 0.00 66.02 65.69 2d99 s SER 89 CO -0.03 -0.01 1.68 0.61 0.41 0.00 0.00 173.24 175.91