#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 0.03 0.48 1.61 0.15 -1.26 -5.11 113.70 109.60 2d99 s SER 2 Ca 0.00 -0.87 0.00 0.00 0.70 0.00 0.00 55.95 55.78 2d99 s SER 2 Cb 0.00 0.44 0.00 0.00 -1.71 0.00 0.00 66.02 64.75 2d99 s SER 2 CO 0.00 -0.91 0.00 -1.20 1.20 0.00 0.00 173.24 172.33 2d99 n SER 3 N -0.23 -6.98 0.00 5.45 7.64 -1.26 -5.06 113.62 113.19 2d99 n SER 3 Ca -0.07 1.46 0.00 0.00 1.01 0.00 0.00 58.87 61.27 2d99 n SER 3 Cb 0.63 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 59.88 2d99 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2d99 n GLY 4 N -2.18 4.34 0.00 0.23 0.00 -1.26 -5.18 105.19 101.14 2d99 n GLY 4 Ca 0.00 -1.67 0.00 0.00 0.00 0.00 0.00 46.02 44.35 2d99 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2d99 n SER 5 N 0.00 0.00 -4.75 1.61 7.64 -1.26 -5.18 113.62 111.68 2d99 n SER 5 Ca 0.00 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.65 2d99 n SER 5 Cb 0.00 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.29 2d99 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2d99 s SER 6 N 0.00 4.55 0.00 6.43 0.01 -1.26 -4.78 113.70 118.66 2d99 s SER 6 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 2d99 s SER 6 Cb 0.00 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.10 2d99 s SER 6 CO 0.00 -1.71 0.00 0.61 0.41 0.00 0.00 173.24 172.55 2d99 n GLY 7 N -2.71 2.94 0.36 3.44 0.00 -1.26 -4.61 105.19 103.35 2d99 n GLY 7 Ca 0.14 -1.13 -0.12 0.00 0.00 0.00 0.00 46.02 44.92 2d99 n GLY 7 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2d99 h LEU 8 N 0.00 -1.11 -1.17 0.99 3.38 -1.98 1.58 115.31 116.99 2d99 h LEU 8 Ca 0.00 0.15 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2d99 h LEU 8 Cb 0.00 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2d99 h LEU 8 CO 0.00 -0.40 -0.22 -0.09 0.09 0.00 0.00 178.44 177.82 2d99 h ARG 9 N -0.46 0.31 0.00 1.13 2.43 -1.93 -1.57 114.38 114.28 2d99 h ARG 9 Ca 0.08 -0.10 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2d99 h ARG 9 Cb 0.59 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 2d99 h ARG 9 CO -0.35 0.52 -0.34 -0.22 -1.51 0.00 0.00 179.97 178.07 2d99 h LYS 10 N 0.28 0.00 0.05 0.20 1.63 -1.31 0.13 116.57 117.56 2d99 h LYS 10 Ca 0.05 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.84 2d99 h LYS 10 Cb 0.55 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2d99 h LYS 10 CO 0.04 0.34 -0.02 0.52 -3.45 0.00 0.00 179.45 176.87 2d99 h MET 11 N 0.00 -0.06 0.00 1.90 2.86 0.32 -3.18 114.93 116.76 2d99 h MET 11 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2d99 h MET 11 Cb 0.76 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.43 2d99 h MET 11 CO 0.04 0.50 -0.24 -0.24 1.06 0.00 0.00 176.91 178.03 2d99 h VAL 12 N -0.70 0.62 -0.60 -2.22 3.04 -1.36 -2.83 116.25 112.19 2d99 h VAL 12 Ca -0.01 -1.14 0.10 0.00 -1.01 0.00 0.00 66.70 64.64 2d99 h VAL 12 Cb 0.60 1.76 -0.08 0.00 -2.01 0.00 0.00 31.29 31.56 2d99 h VAL 12 CO 0.01 0.24 0.20 -0.33 -1.01 0.00 0.00 177.57 176.68 2d99 h GLU 13 N 0.00 0.35 0.04 4.17 4.39 -0.71 -1.32 114.58 121.51 2d99 h GLU 13 Ca -0.00 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.41 2d99 h GLU 13 Cb 0.74 -0.08 0.02 0.00 -0.10 0.00 0.00 28.75 29.32 2d99 h GLU 13 CO 0.03 0.23 -1.08 1.05 -1.16 0.00 0.00 179.01 178.08 2d99 h GLU 14 N 0.36 0.56 0.00 2.33 4.11 -1.54 -3.15 114.58 117.25 2d99 h GLU 14 Ca 0.31 -0.66 0.00 0.00 0.07 0.00 0.00 59.36 59.08 2d99 h GLU 14 Cb 0.41 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2d99 h GLU 14 CO -0.33 1.26 0.00 0.28 0.07 0.00 0.00 179.01 180.29 2d99 n VAL 15 N -3.78 0.00 -0.37 -1.06 0.31 -0.66 0.19 118.33 112.96 2d99 n VAL 15 Ca -0.10 1.40 0.30 0.00 -0.01 0.00 0.00 64.34 65.93 2d99 n VAL 15 Cb 0.91 -2.09 0.61 0.00 -0.91 0.00 0.00 33.84 32.36 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 0.45 0.41 3.52 0.04 -1.42 0.31 116.94 120.25 2d99 h PHE 16 Ca 0.00 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.77 2d99 h PHE 16 Cb 0.00 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.03 2d99 h PHE 16 CO -0.40 -0.02 -0.20 -0.44 -0.60 0.00 0.00 178.31 176.65 2d99 h ASP 17 N 0.21 -0.47 -0.12 2.17 5.19 -0.90 -1.03 116.42 121.48 2d99 h ASP 17 Ca 0.66 0.02 0.03 0.00 -0.62 0.00 0.00 57.03 57.11 2d99 h ASP 17 Cb 2.03 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 41.60 2d99 h ASP 17 CO -0.25 -0.21 -0.54 0.58 -3.12 0.00 0.00 179.24 175.70 2d99 h VAL 18 N -0.79 0.00 -0.72 -1.35 2.07 0.35 0.33 116.25 116.13 2d99 h VAL 18 Ca -0.06 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.56 2d99 h VAL 18 Cb 0.42 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.07 2d99 h VAL 18 CO 0.09 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 177.16 2d99 h LEU 19 N -0.59 -1.60 -1.78 2.57 3.38 -0.54 1.44 115.31 118.20 2d99 h LEU 19 Ca 0.03 0.27 0.13 0.00 0.09 0.00 0.00 57.88 58.40 2d99 h LEU 19 Cb 0.68 0.74 -0.03 0.00 0.09 0.00 0.00 40.66 42.14 2d99 h LEU 19 CO -0.42 -0.31 0.41 0.22 0.09 0.00 0.00 178.44 178.43 2d99 h TYR 20 N -0.15 0.26 0.05 1.13 3.20 -0.05 -1.21 116.97 120.20 2d99 h TYR 20 Ca 0.21 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 2d99 h TYR 20 Cb 0.55 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.73 2d99 h TYR 20 CO -0.79 0.11 -0.03 0.66 -1.64 0.00 0.00 178.16 176.47 2d99 h SER 21 N 0.23 -0.06 -1.01 -2.11 4.64 0.54 -2.62 113.55 113.16 2d99 h SER 21 Ca 0.29 -0.57 0.23 0.00 -0.47 0.00 0.00 61.79 61.27 2d99 h SER 21 Cb 0.81 0.02 -0.11 0.00 -0.31 0.00 0.00 62.40 62.81 2d99 h SER 21 CO -0.06 0.59 0.62 -0.33 -0.87 0.00 0.00 176.83 176.78 2d99 h GLU 22 N -0.76 0.55 0.00 4.77 4.39 0.16 1.79 114.58 125.47 2d99 h GLU 22 Ca -0.01 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.59 2d99 h GLU 22 Cb 0.63 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2d99 h GLU 22 CO 0.01 0.37 -0.32 0.00 -1.16 0.00 0.00 179.01 177.91 2d99 h ALA 23 N 1.67 1.01 0.17 3.43 0.00 -1.26 -2.96 119.26 121.32 2d99 h ALA 23 Ca 0.61 -0.29 -0.33 0.00 0.00 0.00 0.00 54.91 54.90 2d99 h ALA 23 Cb 1.22 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.96 2d99 h ALA 23 CO -0.38 0.40 -1.59 -0.07 0.00 0.00 0.00 179.25 177.60 2d99 h LEU 24 N 0.00 0.56 -2.10 0.00 3.38 0.25 -3.48 115.31 113.92 2d99 h LEU 24 Ca -0.00 -0.75 -0.15 0.00 0.09 0.00 0.00 57.88 57.07 2d99 h LEU 24 Cb 0.83 -0.18 0.09 0.00 0.09 0.00 0.00 40.66 41.49 2d99 h LEU 24 CO 0.04 1.62 -0.38 0.61 0.09 0.00 0.00 178.44 180.42 2d99 n GLY 25 N 1.74 0.02 3.82 0.83 0.00 0.43 -5.06 105.19 106.97 2d99 n GLY 25 Ca -0.19 -0.10 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 2d99 n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d99 n ARG 26 N -2.44 0.63 0.00 1.61 3.00 -1.25 -4.82 116.66 113.40 2d99 n ARG 26 Ca -0.11 -3.17 0.11 0.00 -0.01 0.00 0.00 57.85 54.67 2d99 n ARG 26 Cb 0.57 -0.06 -0.04 0.00 0.00 0.00 0.00 32.46 32.93 2d99 n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2d99 n ALA 27 N -2.21 4.25 -2.82 7.54 0.00 -1.26 -4.79 120.51 121.22 2d99 n ALA 27 Ca -0.14 -0.52 -0.15 0.00 0.00 0.00 0.00 53.44 52.63 2d99 n ALA 27 Cb 0.60 -0.86 -0.12 0.00 0.00 0.00 0.00 19.45 19.07 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 -3.21 1.07 -0.08 0.00 0.01 -1.26 -5.08 113.70 105.15 2d99 s SER 28 Ca 0.07 -0.55 -0.30 0.00 1.31 0.00 0.00 55.95 56.48 2d99 s SER 28 Cb 0.16 0.01 -0.02 0.00 0.21 0.00 0.00 66.02 66.38 2d99 s SER 28 CO 0.83 -0.16 1.05 -0.69 0.41 0.00 0.00 173.24 174.68 2d99 s VAL 29 N -1.31 4.67 0.17 3.43 1.01 -1.26 -5.01 120.40 122.10 2d99 s VAL 29 Ca -0.07 1.94 0.05 0.00 0.00 0.00 0.00 61.98 63.90 2d99 s VAL 29 Cb -0.10 -4.25 -0.04 0.00 0.00 0.00 0.00 36.38 32.00 2d99 s VAL 29 CO 0.01 0.02 0.12 0.68 0.00 0.00 0.00 175.10 175.93 2d99 s VAL 30 N 1.93 4.41 0.83 2.92 -7.23 -1.26 -5.09 120.40 116.91 2d99 s VAL 30 Ca 0.50 -1.12 -0.12 0.00 -1.81 0.00 0.00 61.98 59.43 2d99 s VAL 30 Cb -0.20 -3.25 0.09 0.00 0.56 0.00 0.00 36.38 33.58 2d99 s VAL 30 CO 0.20 -0.12 1.11 -2.16 -0.31 0.00 0.00 175.10 173.82 2d99 s PRO 31 N -3.11 1.80 -0.44 4.82 0.04 -1.26 -4.69 135.00 132.17 2d99 s PRO 31 Ca 0.31 0.53 -0.06 0.00 0.04 0.00 0.00 61.00 61.82 2d99 s PRO 31 Cb -0.10 -1.89 0.11 0.00 0.04 0.00 0.00 34.50 32.66 2d99 s PRO 31 CO 0.23 -1.79 0.27 -1.17 0.04 0.00 0.00 177.00 174.58 2d99 s LEU 32 N -5.85 5.43 -1.15 -3.56 2.96 -1.26 -5.00 118.68 110.25 2d99 s LEU 32 Ca 0.62 -1.91 -0.19 0.00 -0.22 0.00 0.00 54.13 52.42 2d99 s LEU 32 Cb -0.14 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.57 2d99 s LEU 32 CO 0.54 -0.61 1.99 -0.81 -1.32 0.00 0.00 176.35 176.14 2d99 n PRO 33 N 4.77 2.23 -0.15 0.98 -0.04 -1.26 -4.76 135.00 136.77 2d99 n PRO 33 Ca -0.06 -2.43 -0.07 0.00 -0.04 0.00 0.00 63.50 60.90 2d99 n PRO 33 Cb 0.41 -3.27 -0.01 0.00 -0.04 0.00 0.00 33.50 30.59 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 7.53 -0.99 -1.95 0.54 0.05 -1.96 0.54 116.97 120.74 2d99 h TYR 34 Ca 0.44 0.07 0.57 0.00 0.05 0.00 0.00 58.73 59.86 2d99 h TYR 34 Cb 0.74 0.50 -0.08 0.00 1.01 0.00 0.00 36.73 38.90 2d99 h TYR 34 CO 1.34 -0.39 1.40 -0.85 -1.05 0.00 0.00 178.16 178.60 2d99 n GLU 35 N -5.42 -0.00 -0.02 4.88 0.28 -1.26 0.20 120.64 119.30 2d99 n GLU 35 Ca 0.02 1.09 -0.02 0.00 -0.16 0.00 0.00 57.16 58.09 2d99 n GLU 35 Cb 0.35 -2.49 -0.01 0.00 1.43 0.00 0.00 31.44 30.72 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 -3.95 0.14 -0.49 3.44 5.12 0.16 -3.53 116.66 117.55 2d99 n ARG 36 Ca 0.44 0.25 0.40 0.00 -1.93 0.00 0.00 57.85 57.01 2d99 n ARG 36 Cb 1.99 -0.95 0.72 0.00 -1.16 0.00 0.00 32.46 33.07 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 -0.29 0.12 -0.14 0.55 3.38 0.19 1.49 115.31 120.62 2d99 h LEU 37 Ca 0.00 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2d99 h LEU 37 Cb 0.19 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 40.98 2d99 h LEU 37 CO 0.00 -0.05 -0.02 -0.07 0.09 0.00 0.00 178.44 178.39 2d99 h LEU 38 N 0.07 0.25 -0.93 1.67 3.38 0.22 -2.92 115.31 117.04 2d99 h LEU 38 Ca 0.77 -0.35 0.16 0.00 0.09 0.00 0.00 57.88 58.56 2d99 h LEU 38 Cb 2.78 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 43.36 2d99 h LEU 38 CO -0.18 0.54 0.53 -0.09 0.09 0.00 0.00 178.44 179.33 2d99 h ARG 39 N -0.04 0.70 -4.50 1.13 2.43 0.20 -3.33 114.38 110.97 2d99 h ARG 39 Ca 0.04 -0.04 -0.64 0.00 -0.81 0.00 0.00 59.98 58.52 2d99 h ARG 39 Cb 0.42 -0.16 -0.39 0.00 -0.42 0.00 0.00 29.97 29.42 2d99 h ARG 39 CO 0.01 0.46 -0.75 -1.83 -1.51 0.00 0.00 179.97 176.35 2d99 s GLU 40 N -5.92 1.56 0.24 0.20 -1.05 -0.79 -4.96 118.70 107.98 2d99 s GLU 40 Ca -0.12 -1.47 0.11 0.00 -0.15 0.00 0.00 54.97 53.34 2d99 s GLU 40 Cb 0.23 -2.84 0.22 0.00 -0.44 0.00 0.00 34.13 31.30 2d99 s GLU 40 CO 0.79 -0.80 1.52 -1.00 0.95 0.00 0.00 175.26 176.73 2d99 h PRO 41 N 7.78 0.00 -0.04 -4.83 0.13 -1.67 -3.09 132.00 130.28 2d99 h PRO 41 Ca -0.11 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.94 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 0.48 0.69 -0.35 0.78 -0.23 0.00 0.00 178.00 179.36 2d99 h GLY 42 N 2.31 0.08 1.01 1.56 0.00 -1.93 -2.65 103.07 103.46 2d99 h GLY 42 Ca -0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.25 2d99 h GLY 42 CO 0.09 0.06 0.42 -2.00 0.00 0.00 0.00 176.54 175.11 2d99 h LEU 43 N 0.07 0.89 -6.36 3.11 5.85 -1.87 -3.37 115.31 113.63 2d99 h LEU 43 Ca 0.01 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 2d99 h LEU 43 Cb 0.66 -0.23 -0.25 0.00 0.37 0.00 0.00 40.66 41.22 2d99 h LEU 43 CO 0.05 0.71 -0.34 -0.22 -0.34 0.00 0.00 178.44 178.30 2d99 s LEU 44 N -9.99 -1.03 -0.20 2.25 2.96 -1.02 -1.73 118.68 109.93 2d99 s LEU 44 Ca -0.13 0.73 -0.09 0.00 -0.22 0.00 0.00 54.13 54.42 2d99 s LEU 44 Cb 0.15 1.73 -0.05 0.00 0.50 0.00 0.00 46.19 48.52 2d99 s LEU 44 CO 0.79 -0.27 0.11 0.00 -1.32 0.00 0.00 176.35 175.66 2d99 s ALA 45 N 2.73 3.56 -0.21 5.97 0.00 -0.51 -4.69 121.76 128.62 2d99 s ALA 45 Ca 0.13 -0.74 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 2d99 s ALA 45 Cb -0.15 -2.09 -0.03 0.00 0.00 0.00 0.00 23.12 20.85 2d99 s ALA 45 CO -0.18 0.12 0.56 0.08 0.00 0.00 0.00 175.76 176.33 2d99 s VAL 46 N 0.46 5.07 0.35 0.00 1.01 -1.26 -1.60 120.40 124.43 2d99 s VAL 46 Ca 0.06 1.02 0.08 0.00 0.00 0.00 0.00 61.98 63.14 2d99 s VAL 46 Cb -0.12 -3.87 -0.07 0.00 0.00 0.00 0.00 36.38 32.32 2d99 s VAL 46 CO -0.00 0.14 -0.05 -1.10 0.00 0.00 0.00 175.10 174.09 2d99 s GLN 47 N 1.83 1.80 -1.22 2.72 -1.52 0.56 -4.73 119.66 119.10 2d99 s GLN 47 Ca 0.25 -1.96 -0.00 0.00 -1.95 0.00 0.00 55.36 51.70 2d99 s GLN 47 Cb -0.16 -1.52 0.00 0.00 -0.22 0.00 0.00 33.01 31.12 2d99 s GLN 47 CO 0.10 0.04 0.00 0.41 -0.25 0.00 0.00 175.29 175.59 2d99 n GLY 48 N -0.80 -0.22 3.81 3.09 0.00 -1.26 0.15 105.19 109.96 2d99 n GLY 48 Ca -0.05 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.39 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 -4.12 2.53 -0.62 0.99 1.43 -1.26 0.30 118.68 117.93 2d99 s LEU 49 Ca 0.00 1.22 -0.27 0.00 -1.03 0.00 0.00 54.13 54.05 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 -2.00 1.53 -2.16 0.23 0.00 0.00 176.35 173.95 2d99 s PRO 50 N -5.21 3.06 0.23 1.29 0.04 -1.26 -4.88 135.00 128.27 2d99 s PRO 50 Ca 0.61 0.34 -0.13 0.00 0.04 0.00 0.00 61.00 61.86 2d99 s PRO 50 Cb -0.14 -4.22 -0.10 0.00 0.04 0.00 0.00 34.50 30.08 2d99 s PRO 50 CO 0.54 -2.24 0.07 -0.85 0.04 0.00 0.00 177.00 174.56 2d99 n GLU 51 N 9.02 0.00 -2.72 4.56 0.28 -1.26 -3.05 120.64 127.47 2d99 n GLU 51 Ca 0.13 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 57.05 2d99 n GLU 51 Cb 0.50 -0.60 0.03 0.00 1.43 0.00 0.00 31.44 32.80 2d99 n GLU 51 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2d99 n GLY 52 N 1.40 0.23 0.00 -1.84 0.00 -1.26 -5.03 105.19 98.69 2d99 n GLY 52 Ca 0.07 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.25 0.00 -3.68 0.99 4.77 -1.17 -5.08 117.00 110.57 2d99 n LEU 53 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2d99 n LEU 53 Cb 0.55 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.55 2d99 n LEU 53 CO 0.25 0.00 0.25 0.00 -1.33 0.00 0.00 177.39 176.56 2d99 s ALA 54 N -1.15 -1.40 -0.18 -1.18 0.00 -1.26 -5.04 121.76 111.54 2d99 s ALA 54 Ca 0.00 1.61 -0.29 0.00 0.00 0.00 0.00 51.96 53.28 2d99 s ALA 54 Cb 0.00 -0.94 -0.06 0.00 0.00 0.00 0.00 23.12 22.12 2d99 s ALA 54 CO 0.00 -0.27 2.17 0.34 0.00 0.00 0.00 175.76 178.00 2d99 n PHE 55 N 2.86 2.04 -3.62 0.00 7.35 -1.26 -4.90 117.46 119.93 2d99 n PHE 55 Ca -0.14 -0.14 -0.08 0.00 -0.76 0.00 0.00 57.45 56.33 2d99 n PHE 55 Cb 0.56 -2.73 -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 5.97 1.21 0.46 -4.13 1.70 -1.26 -5.07 118.95 117.83 2d99 s ARG 56 Ca 0.99 -0.57 -0.20 0.00 -0.47 0.00 0.00 55.73 55.49 2d99 s ARG 56 Cb -0.40 0.48 -0.15 0.00 -0.57 0.00 0.00 34.95 34.31 2d99 s ARG 56 CO 0.38 -0.54 0.04 0.54 -1.08 0.00 0.00 175.30 174.63 2d99 n ARG 57 N -0.38 0.05 0.25 3.89 1.74 -1.26 -4.78 116.66 116.17 2d99 n ARG 57 Ca -0.09 0.02 0.14 0.00 -0.77 0.00 0.00 57.85 57.15 2d99 n ARG 57 Cb 0.62 -1.06 0.43 0.00 -1.02 0.00 0.00 32.46 31.42 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 0.19 0.00 0.00 5.56 0.13 -1.94 -2.49 132.00 133.45 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 1.44 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.57 2d99 h PRO 58 CO 0.45 0.02 -0.41 0.00 -0.23 0.00 0.00 178.00 177.82 2d99 n ALA 59 N -2.10 3.11 0.86 -0.56 0.00 -1.26 -3.38 120.51 117.18 2d99 n ALA 59 Ca 0.02 -0.26 0.10 0.00 0.00 0.00 0.00 53.44 53.30 2d99 n ALA 59 Cb 0.42 -1.21 -0.09 0.00 0.00 0.00 0.00 19.45 18.57 2d99 n ALA 59 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2d99 n GLU 60 N -1.67 0.09 -1.63 0.00 1.02 -0.97 -4.96 120.64 112.52 2d99 n GLU 60 Ca 0.05 -0.02 -0.29 0.00 -0.02 0.00 0.00 57.16 56.88 2d99 n GLU 60 Cb 0.36 -1.51 0.15 0.00 -0.02 0.00 0.00 31.44 30.43 2d99 n GLU 60 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2d99 s TYR 61 N -3.07 2.11 0.77 -0.32 2.02 -1.03 -4.98 117.35 112.86 2d99 s TYR 61 Ca 0.06 0.67 -0.07 0.00 -0.37 0.00 0.00 57.07 57.36 2d99 s TYR 61 Cb 0.16 -3.58 0.17 0.00 -0.40 0.00 0.00 41.96 38.30 2d99 s TYR 61 CO 0.86 -2.53 1.05 -0.25 -1.57 0.00 0.00 175.55 173.11 2d99 n ASP 62 N -3.82 0.72 0.03 2.29 8.00 -1.26 -4.94 116.55 117.56 2d99 n ASP 62 Ca 0.10 -1.77 -0.09 0.00 0.71 0.00 0.00 54.79 53.73 2d99 n ASP 62 Cb 0.60 -0.75 -0.07 0.00 -0.02 0.00 0.00 41.12 40.88 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 -0.17 0.00 -0.24 0.13 -1.98 -2.83 132.00 126.92 2d99 h PRO 63 Ca -0.34 0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 64.78 2d99 h PRO 63 Cb 1.10 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 32.27 2d99 h PRO 63 CO 0.30 0.26 -0.09 0.87 -0.23 0.00 0.00 178.00 179.11 2d99 h LYS 64 N -0.92 0.00 0.71 0.86 6.56 -1.99 -2.91 116.57 118.88 2d99 h LYS 64 Ca -0.02 0.00 -0.03 0.00 -1.06 0.00 0.00 60.65 59.54 2d99 h LYS 64 Cb 0.51 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.18 2d99 h LYS 64 CO 0.03 0.09 -0.34 0.00 -2.06 0.00 0.00 179.45 177.17 2d99 h ALA 65 N 1.91 -1.07 -0.81 3.86 0.00 -1.95 0.10 119.26 121.31 2d99 h ALA 65 Ca -0.00 -0.21 0.19 0.00 0.00 0.00 0.00 54.91 54.90 2d99 h ALA 65 Cb 0.33 0.37 -0.14 0.00 0.00 0.00 0.00 17.79 18.34 2d99 h ALA 65 CO 0.01 -1.00 0.04 -0.07 0.00 0.00 0.00 179.25 178.23 2d99 h LEU 66 N -1.11 -0.32 -1.61 0.00 3.38 -1.32 1.67 115.31 116.01 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 0.73 0.36 -0.01 0.00 0.09 0.00 0.00 40.66 41.83 2d99 h LEU 66 CO 0.16 -0.20 -0.20 0.24 0.09 0.00 0.00 178.44 178.53 2d99 h MET 67 N 0.11 0.00 0.00 1.13 2.86 -1.39 0.10 114.93 117.74 2d99 h MET 67 Ca 0.46 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.10 2d99 h MET 67 Cb 0.85 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2d99 h MET 67 CO -0.70 0.20 -0.16 0.00 1.06 0.00 0.00 176.91 177.31 2d99 h ALA 68 N 1.80 0.91 0.13 6.32 0.00 0.47 -2.80 119.26 126.10 2d99 h ALA 68 Ca -0.00 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2d99 h ALA 68 Cb 0.36 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.16 2d99 h ALA 68 CO 0.03 0.00 -1.30 0.82 0.00 0.00 0.00 179.25 178.80 2d99 h ILE 69 N 0.00 1.15 0.00 0.00 2.04 0.20 0.36 117.51 121.26 2d99 h ILE 69 Ca 0.00 -2.45 -0.02 0.00 1.00 0.00 0.00 64.86 63.39 2d99 h ILE 69 Cb 0.90 2.85 -0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2d99 h ILE 69 CO 0.00 0.72 -0.07 -0.07 0.00 0.00 0.00 178.15 178.73 2d99 h LEU 70 N -0.28 0.00 0.07 1.44 3.38 -0.93 1.49 115.31 120.49 2d99 h LEU 70 Ca -0.27 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.37 2d99 h LEU 70 Cb 1.77 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.49 2d99 h LEU 70 CO 0.10 0.07 -1.84 -0.62 0.09 0.00 0.00 178.44 176.24 2d99 n GLU 71 N -3.30 0.69 0.03 1.13 1.02 -1.06 -4.05 120.64 115.09 2d99 n GLU 71 Ca -0.01 0.35 0.14 0.00 -0.02 0.00 0.00 57.16 57.62 2d99 n GLU 71 Cb 0.26 -1.70 0.54 0.00 -0.02 0.00 0.00 31.44 30.53 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 -3.79 0.26 -0.30 -0.32 8.25 0.12 -3.82 115.22 115.62 2d99 n HIS 72 Ca -0.34 0.07 0.08 0.00 -0.26 0.00 0.00 57.72 57.27 2d99 n HIS 72 Cb 0.93 -0.61 0.18 0.00 1.12 0.00 0.00 29.99 31.61 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 -0.53 -1.41 0.41 4.64 0.20 1.59 113.55 118.45 2d99 h SER 73 Ca 0.00 0.24 0.41 0.00 -0.47 0.00 0.00 61.79 61.97 2d99 h SER 73 Cb 0.57 0.45 -0.06 0.00 -0.31 0.00 0.00 62.40 63.05 2d99 h SER 73 CO 0.00 -0.27 1.19 1.12 -0.87 0.00 0.00 176.83 178.01 2d99 h HIS 74 N 0.05 0.00 0.05 4.77 2.07 -1.82 0.92 115.15 121.19 2d99 h HIS 74 Ca 0.47 0.00 -0.38 0.00 -2.85 0.00 0.00 60.37 57.61 2d99 h HIS 74 Cb 0.85 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.78 2d99 h HIS 74 CO -0.53 0.00 -2.26 0.54 -3.07 0.00 0.00 177.93 172.61 2d99 n ARG 75 N -3.71 0.69 -1.69 5.12 1.74 0.53 -4.94 116.66 114.41 2d99 n ARG 75 Ca 0.31 0.21 -0.65 0.00 -0.77 0.00 0.00 57.85 56.95 2d99 n ARG 75 Cb 1.62 -1.60 -0.09 0.00 -1.02 0.00 0.00 32.46 31.37 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 -3.40 0.02 -3.74 0.55 5.41 0.32 -4.29 119.36 114.23 2d99 n ILE 76 Ca -0.40 -0.00 -0.15 0.00 1.00 0.00 0.00 62.75 63.19 2d99 n ILE 76 Cb 1.01 -0.45 -0.15 0.00 -0.71 0.00 0.00 39.64 39.33 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 2.34 0.03 0.41 0.38 1.81 0.39 -4.92 118.95 119.39 2d99 s ARG 77 Ca 1.01 0.34 -0.13 0.00 -1.72 0.00 0.00 55.73 55.24 2d99 s ARG 77 Cb -1.41 -0.25 -0.07 0.00 -0.45 0.00 0.00 34.95 32.77 2d99 s ARG 77 CO 0.75 -0.20 0.81 -0.06 -0.68 0.00 0.00 175.30 175.91 2d99 s PHE 78 N 1.40 3.45 -0.10 -0.53 0.40 -1.26 -0.32 117.98 121.02 2d99 s PHE 78 Ca -0.06 1.16 -0.02 0.00 -0.60 0.00 0.00 56.93 57.41 2d99 s PHE 78 Cb -0.12 -2.53 0.04 0.00 0.51 0.00 0.00 43.02 40.92 2d99 s PHE 78 CO -0.05 -0.13 0.04 0.15 0.70 0.00 0.00 175.22 175.93 2d99 s LYS 79 N -3.75 0.32 0.10 0.44 -0.14 -0.63 -4.90 119.74 111.18 2d99 s LYS 79 Ca 0.53 0.07 -0.14 0.00 -1.36 0.00 0.00 55.97 55.07 2d99 s LYS 79 Cb -0.10 -1.17 -0.06 0.00 -1.68 0.00 0.00 37.83 34.82 2d99 s LYS 79 CO 0.29 -0.43 0.50 -0.51 -0.76 0.00 0.00 175.35 174.44 2d99 s LEU 80 N 2.04 4.39 0.32 3.17 1.43 -1.26 -1.43 118.68 127.35 2d99 s LEU 80 Ca 0.04 1.03 -0.26 0.00 -1.03 0.00 0.00 54.13 53.90 2d99 s LEU 80 Cb -0.14 -3.03 -0.14 0.00 0.03 0.00 0.00 46.19 42.92 2d99 s LEU 80 CO -0.06 0.18 0.82 2.29 0.23 0.00 0.00 176.35 179.82 2d99 n LYS 81 N 1.15 0.95 -1.42 1.70 2.85 -0.70 -4.60 118.16 118.07 2d99 n LYS 81 Ca -0.08 0.34 0.18 0.00 -1.05 0.00 0.00 58.31 57.69 2d99 n LYS 81 Cb 0.52 -1.65 -0.07 0.00 -0.65 0.00 0.00 35.03 33.17 2d99 n LYS 81 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2d99 n ARG 82 N 0.66 -3.07 0.08 -1.58 3.00 -1.26 -4.72 116.66 109.77 2d99 n ARG 82 Ca 0.11 2.34 -0.06 0.00 -0.01 0.00 0.00 57.85 60.23 2d99 n ARG 82 Cb 0.34 -3.68 -0.04 0.00 0.00 0.00 0.00 32.46 29.08 2d99 n ARG 82 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 2d99 h PRO 83 N -1.41 -0.28 -2.80 5.56 0.13 -2.05 -3.50 132.00 127.65 2d99 h PRO 83 Ca -0.11 0.02 0.30 0.00 -0.87 0.00 0.00 66.00 65.34 2d99 h PRO 83 Cb 1.36 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.42 2d99 h PRO 83 CO 0.05 -0.09 -0.87 0.45 -0.23 0.00 0.00 178.00 177.31 2d99 n SER 84 N -4.96 -6.81 -4.02 1.44 2.88 -1.26 -4.98 113.62 95.91 2d99 n SER 84 Ca -0.05 0.99 -0.14 0.00 -1.33 0.00 0.00 58.87 58.35 2d99 n SER 84 Cb 0.16 -3.92 -0.12 0.00 -0.75 0.00 0.00 64.21 59.58 2d99 n SER 84 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2d99 s SER 85 N -6.77 0.71 0.00 -3.46 0.01 -1.26 -5.13 113.70 97.81 2d99 s SER 85 Ca 0.00 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 56.87 2d99 s SER 85 Cb 0.00 0.01 0.00 0.00 0.21 0.00 0.00 66.02 66.24 2d99 s SER 85 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14 2d99 n GLY 86 N 1.99 2.61 3.81 3.44 0.00 -1.26 -5.17 105.19 110.62 2d99 n GLY 86 Ca -0.19 0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.65 -0.09 1.61 0.04 -1.26 -5.00 135.00 132.96 2d99 s PRO 87 Ca 0.00 0.85 -0.02 0.00 0.04 0.00 0.00 61.00 61.87 2d99 s PRO 87 Cb 0.00 -1.97 -0.03 0.00 0.04 0.00 0.00 34.50 32.54 2d99 s PRO 87 CO 0.00 -1.28 0.01 -1.12 0.04 0.00 0.00 177.00 174.65 2d99 s SER 88 N -3.83 5.29 -0.36 6.66 0.01 -1.26 -4.75 113.70 115.47 2d99 s SER 88 Ca 0.59 0.16 -0.30 0.00 1.31 0.00 0.00 55.95 57.71 2d99 s SER 88 Cb -0.14 -1.50 0.04 0.00 0.21 0.00 0.00 66.02 64.63 2d99 s SER 88 CO 0.55 0.38 0.52 -1.20 0.41 0.00 0.00 173.24 173.89 2d99 n SER 89 N 2.11 -5.87 -0.28 2.44 7.64 -1.26 -5.16 113.62 113.25 2d99 n SER 89 Ca -0.19 0.01 0.03 0.00 1.01 0.00 0.00 58.87 59.74 2d99 n SER 89 Cb 0.54 -1.86 0.03 0.00 -1.01 0.00 0.00 64.21 61.90 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64