#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 6.27 -0.09 1.61 0.15 -1.26 -5.01 113.70 115.37 2d99 s SER 2 Ca 0.00 -0.68 0.02 0.00 0.70 0.00 0.00 55.95 55.99 2d99 s SER 2 Cb 0.00 -2.39 0.01 0.00 -1.71 0.00 0.00 66.02 61.93 2d99 s SER 2 CO 0.00 -1.18 -0.16 -0.94 1.20 0.00 0.00 173.24 172.16 2d99 s SER 3 N 3.02 2.34 1.08 5.45 1.04 -1.26 -5.13 113.70 120.23 2d99 s SER 3 Ca 0.24 -0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.11 2d99 s SER 3 Cb -0.16 -1.06 0.20 0.00 0.10 0.00 0.00 66.02 65.10 2d99 s SER 3 CO 0.15 0.04 0.38 0.61 0.98 0.00 0.00 173.24 175.40 2d99 n GLY 4 N 3.97 -2.66 3.28 7.32 0.00 -1.26 -4.96 105.19 110.87 2d99 n GLY 4 Ca -0.20 -0.93 -0.35 0.00 0.00 0.00 0.00 46.02 44.53 2d99 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2d99 s SER 5 N -2.11 4.52 0.96 1.61 0.15 -1.26 -5.09 113.70 112.48 2d99 s SER 5 Ca 0.42 -0.63 -0.13 0.00 0.70 0.00 0.00 55.95 56.31 2d99 s SER 5 Cb -0.07 -1.75 0.03 0.00 -1.71 0.00 0.00 66.02 62.52 2d99 s SER 5 CO 0.39 -0.10 0.34 -0.24 1.20 0.00 0.00 173.24 174.83 2d99 n SER 6 N 4.77 -2.23 -3.52 5.45 2.88 -1.26 -5.03 113.62 114.68 2d99 n SER 6 Ca -0.17 0.29 -0.11 0.00 -1.33 0.00 0.00 58.87 57.56 2d99 n SER 6 Cb 0.49 -1.18 -0.03 0.00 -0.75 0.00 0.00 64.21 62.74 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 -1.97 0.81 -0.16 0.46 0.00 -1.26 -5.06 107.32 100.13 2d99 s GLY 7 Ca 0.56 -1.05 -0.14 0.00 0.00 0.00 0.00 44.72 44.09 2d99 s GLY 7 CO 0.68 -0.67 -0.25 1.04 0.00 0.00 0.00 173.10 173.90 2d99 n LEU 8 N -0.48 1.87 0.19 0.66 4.77 -1.26 -3.40 117.00 119.35 2d99 n LEU 8 Ca -0.02 0.49 0.04 0.00 -0.03 0.00 0.00 56.01 56.48 2d99 n LEU 8 Cb 0.61 -0.82 0.38 0.00 -2.33 0.00 0.00 43.42 41.26 2d99 n LEU 8 CO 0.25 -0.33 0.72 -0.09 -1.33 0.00 0.00 177.39 176.62 2d99 h ARG 9 N -1.00 0.00 -0.17 3.23 1.12 -1.95 -2.26 114.38 113.36 2d99 h ARG 9 Ca -0.04 0.00 -0.17 0.00 -1.11 0.00 0.00 59.98 58.66 2d99 h ARG 9 Cb 0.79 0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.74 2d99 h ARG 9 CO -0.02 0.37 -0.60 -0.22 -3.11 0.00 0.00 179.97 176.39 2d99 h LYS 10 N 0.00 0.55 0.75 0.20 1.63 -1.94 -0.97 116.57 116.79 2d99 h LYS 10 Ca -0.00 -0.37 -0.04 0.00 -0.85 0.00 0.00 60.65 59.39 2d99 h LYS 10 Cb 0.71 0.05 0.01 0.00 -0.60 0.00 0.00 32.23 32.40 2d99 h LYS 10 CO 0.05 0.99 -0.36 0.52 -3.45 0.00 0.00 179.45 177.20 2d99 h MET 11 N 0.41 -0.96 -0.56 1.90 2.86 -1.47 -3.02 114.93 114.09 2d99 h MET 11 Ca -0.00 0.07 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 2d99 h MET 11 Cb 1.16 0.22 -0.03 0.00 0.06 0.00 0.00 31.60 33.00 2d99 h MET 11 CO 0.11 -0.64 0.37 -0.24 1.06 0.00 0.00 176.91 177.57 2d99 h VAL 12 N -1.27 0.95 -0.83 -2.22 3.04 -1.50 -1.05 116.25 113.37 2d99 h VAL 12 Ca -0.10 -0.16 0.20 0.00 -1.01 0.00 0.00 66.70 65.63 2d99 h VAL 12 Cb 0.77 0.45 -0.13 0.00 -2.01 0.00 0.00 31.29 30.37 2d99 h VAL 12 CO 0.17 0.09 0.25 -0.33 -1.01 0.00 0.00 177.57 176.73 2d99 h GLU 13 N 0.47 0.27 0.11 4.17 4.39 -1.05 0.36 114.58 123.30 2d99 h GLU 13 Ca 0.25 -0.02 -0.26 0.00 0.34 0.00 0.00 59.36 59.67 2d99 h GLU 13 Cb 0.37 -0.06 0.03 0.00 -0.10 0.00 0.00 28.75 28.99 2d99 h GLU 13 CO -0.07 0.18 -1.08 1.05 -1.16 0.00 0.00 179.01 177.93 2d99 h GLU 14 N 0.27 0.53 0.00 2.33 4.11 -1.15 -3.23 114.58 117.44 2d99 h GLU 14 Ca 0.50 -0.72 0.00 0.00 0.07 0.00 0.00 59.36 59.21 2d99 h GLU 14 Cb 0.95 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2d99 h GLU 14 CO -0.58 1.32 0.00 0.28 0.07 0.00 0.00 179.01 180.10 2d99 n VAL 15 N -3.92 0.00 -0.42 -1.06 0.31 -0.00 0.22 118.33 113.46 2d99 n VAL 15 Ca -0.13 1.42 0.36 0.00 -0.01 0.00 0.00 64.34 65.97 2d99 n VAL 15 Cb 0.91 -2.02 0.68 0.00 -0.91 0.00 0.00 33.84 32.51 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 0.30 0.38 3.52 0.04 -1.39 0.32 116.94 120.11 2d99 h PHE 16 Ca 0.00 0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 2d99 h PHE 16 Cb 0.00 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.07 2d99 h PHE 16 CO -0.59 -0.04 -0.18 -0.44 -0.60 0.00 0.00 178.31 176.46 2d99 h ASP 17 N 0.12 -0.44 -0.45 2.17 5.19 -0.25 -1.01 116.42 121.75 2d99 h ASP 17 Ca 0.70 0.02 0.08 0.00 -0.62 0.00 0.00 57.03 57.21 2d99 h ASP 17 Cb 2.41 0.11 -0.10 0.00 0.18 0.00 0.00 39.33 41.93 2d99 h ASP 17 CO -0.19 -0.06 -0.34 0.58 -3.12 0.00 0.00 179.24 176.11 2d99 h VAL 18 N -1.02 0.20 -0.23 -1.35 2.07 0.47 1.08 116.25 117.45 2d99 h VAL 18 Ca -0.05 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.53 2d99 h VAL 18 Cb 0.39 0.20 -0.07 0.00 -1.52 0.00 0.00 31.29 30.29 2d99 h VAL 18 CO 0.09 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 177.37 2d99 h LEU 19 N -0.24 -0.74 0.03 2.57 3.38 -0.56 0.86 115.31 120.61 2d99 h LEU 19 Ca 0.18 0.13 0.02 0.00 0.09 0.00 0.00 57.88 58.31 2d99 h LEU 19 Cb 0.55 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 2d99 h LEU 19 CO -0.58 -0.27 -0.16 0.22 0.09 0.00 0.00 178.44 177.74 2d99 h TYR 20 N -0.24 -0.42 -0.96 1.13 3.20 0.42 0.14 116.97 120.24 2d99 h TYR 20 Ca 0.13 0.01 0.07 0.00 3.14 0.00 0.00 58.73 62.08 2d99 h TYR 20 Cb 0.45 0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.84 2d99 h TYR 20 CO -0.38 -0.24 0.62 1.03 -1.64 0.00 0.00 178.16 177.55 2d99 h SER 21 N -0.29 0.97 -0.31 -2.11 0.87 0.18 0.49 113.55 113.36 2d99 h SER 21 Ca 0.04 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.59 2d99 h SER 21 Cb 0.34 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.08 2d99 h SER 21 CO -0.13 0.62 0.13 -0.33 -0.53 0.00 0.00 176.83 176.60 2d99 h GLU 22 N 1.10 0.46 0.00 2.24 5.08 0.15 0.23 114.58 123.85 2d99 h GLU 22 Ca 0.41 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.61 2d99 h GLU 22 Cb 0.18 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2d99 h GLU 22 CO -0.16 0.45 -0.40 0.00 -1.00 0.00 0.00 179.01 177.90 2d99 h ALA 23 N 0.98 1.26 0.00 3.43 0.00 0.18 -2.00 119.26 123.12 2d99 h ALA 23 Ca 0.10 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2d99 h ALA 23 Cb 0.16 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2d99 h ALA 23 CO -0.01 0.50 -0.47 -0.07 0.00 0.00 0.00 179.25 179.20 2d99 h LEU 24 N 0.00 0.00 0.25 0.00 3.38 0.58 -3.47 115.31 116.04 2d99 h LEU 24 Ca -0.00 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.74 2d99 h LEU 24 Cb 0.74 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.53 2d99 h LEU 24 CO 0.05 0.47 -0.34 0.61 0.09 0.00 0.00 178.44 179.31 2d99 n GLY 25 N 0.55 0.02 3.97 0.83 0.00 0.77 -5.02 105.19 106.30 2d99 n GLY 25 Ca 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.50 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 -5.22 1.46 -0.20 1.61 1.81 -1.04 -4.99 118.95 112.39 2d99 s ARG 26 Ca 0.18 -0.85 -0.18 0.00 -1.72 0.00 0.00 55.73 53.17 2d99 s ARG 26 Cb -0.08 -2.19 -0.20 0.00 -0.45 0.00 0.00 34.95 32.03 2d99 s ARG 26 CO 0.22 -1.67 0.19 0.00 -0.68 0.00 0.00 175.30 173.36 2d99 n ALA 27 N -3.08 0.85 -2.64 2.13 0.00 -1.26 -4.92 120.51 111.59 2d99 n ALA 27 Ca 0.14 -0.57 -0.20 0.00 0.00 0.00 0.00 53.44 52.81 2d99 n ALA 27 Cb 0.60 -0.52 -0.01 0.00 0.00 0.00 0.00 19.45 19.52 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 -6.95 6.10 -0.39 0.00 0.01 -1.26 -5.06 113.70 106.16 2d99 s SER 28 Ca -0.29 0.01 -0.25 0.00 1.31 0.00 0.00 55.95 56.73 2d99 s SER 28 Cb 0.07 -1.55 0.02 0.00 0.21 0.00 0.00 66.02 64.77 2d99 s SER 28 CO 0.62 -0.33 0.90 -0.69 0.41 0.00 0.00 173.24 174.15 2d99 s VAL 29 N -2.16 4.59 0.23 3.43 1.01 -1.26 -4.94 120.40 121.30 2d99 s VAL 29 Ca 0.41 1.04 0.01 0.00 0.00 0.00 0.00 61.98 63.43 2d99 s VAL 29 Cb -0.09 -4.33 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 2d99 s VAL 29 CO 0.32 -0.58 0.41 0.68 0.00 0.00 0.00 175.10 175.92 2d99 s VAL 30 N 3.47 5.20 0.92 2.92 -7.23 -1.26 -5.06 120.40 119.36 2d99 s VAL 30 Ca 0.37 -0.50 -0.13 0.00 -1.81 0.00 0.00 61.98 59.91 2d99 s VAL 30 Cb -0.12 -3.78 0.14 0.00 0.56 0.00 0.00 36.38 33.19 2d99 s VAL 30 CO 0.20 -0.26 1.14 -2.16 -0.31 0.00 0.00 175.10 173.71 2d99 s PRO 31 N -3.60 1.05 -0.39 4.82 0.04 -1.26 -4.63 135.00 131.03 2d99 s PRO 31 Ca 0.38 0.25 -0.03 0.00 0.04 0.00 0.00 61.00 61.64 2d99 s PRO 31 Cb -0.10 -1.83 0.10 0.00 0.04 0.00 0.00 34.50 32.70 2d99 s PRO 31 CO 0.30 -2.25 0.17 -1.17 0.04 0.00 0.00 177.00 174.09 2d99 s LEU 32 N -6.05 5.01 -1.23 -3.56 2.96 -1.26 -4.98 118.68 109.56 2d99 s LEU 32 Ca 0.64 -1.88 -0.20 0.00 -0.22 0.00 0.00 54.13 52.47 2d99 s LEU 32 Cb -0.14 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.72 2d99 s LEU 32 CO 0.53 -0.49 1.86 -0.81 -1.32 0.00 0.00 176.35 176.12 2d99 n PRO 33 N 4.61 2.39 0.13 0.98 -0.04 -1.26 -4.78 135.00 137.02 2d99 n PRO 33 Ca -0.04 -2.82 -0.13 0.00 -0.04 0.00 0.00 63.50 60.47 2d99 n PRO 33 Cb 0.42 -3.56 -0.06 0.00 -0.04 0.00 0.00 33.50 30.26 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 8.44 -0.86 -1.76 0.54 0.05 -1.97 0.17 116.97 121.59 2d99 h TYR 34 Ca 0.35 0.02 0.52 0.00 0.05 0.00 0.00 58.73 59.67 2d99 h TYR 34 Cb 0.88 0.36 -0.08 0.00 1.01 0.00 0.00 36.73 38.90 2d99 h TYR 34 CO 1.32 -0.43 1.25 -0.85 -1.05 0.00 0.00 178.16 178.41 2d99 n GLU 35 N -5.42 -0.00 -0.03 4.88 0.28 -1.26 0.20 120.64 119.29 2d99 n GLU 35 Ca -0.07 1.02 -0.02 0.00 -0.16 0.00 0.00 57.16 57.93 2d99 n GLU 35 Cb 0.33 -2.30 -0.01 0.00 1.43 0.00 0.00 31.44 30.89 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 -3.86 0.17 -0.37 3.44 5.12 -0.27 -3.78 116.66 117.11 2d99 n ARG 36 Ca 0.41 0.30 0.29 0.00 -1.93 0.00 0.00 57.85 56.92 2d99 n ARG 36 Cb 1.81 -1.05 0.55 0.00 -1.16 0.00 0.00 32.46 32.61 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 -0.37 0.39 -0.52 0.55 3.38 0.63 1.48 115.31 120.84 2d99 h LEU 37 Ca 0.00 0.17 0.04 0.00 0.09 0.00 0.00 57.88 58.18 2d99 h LEU 37 Cb 0.22 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 2d99 h LEU 37 CO 0.00 -0.16 0.28 -0.07 0.09 0.00 0.00 178.44 178.59 2d99 h LEU 38 N 0.22 0.43 -0.79 1.67 3.38 0.21 -1.56 115.31 118.86 2d99 h LEU 38 Ca 0.76 0.02 0.14 0.00 0.09 0.00 0.00 57.88 58.89 2d99 h LEU 38 Cb 2.02 -0.07 -0.09 0.00 0.09 0.00 0.00 40.66 42.61 2d99 h LEU 38 CO -0.52 0.30 0.37 -0.09 0.09 0.00 0.00 178.44 178.58 2d99 h ARG 39 N 0.56 0.51 -4.75 1.13 2.43 0.20 -3.33 114.38 111.13 2d99 h ARG 39 Ca 0.22 -0.03 -0.66 0.00 -0.81 0.00 0.00 59.98 58.70 2d99 h ARG 39 Cb 0.10 -0.12 -0.39 0.00 -0.42 0.00 0.00 29.97 29.14 2d99 h ARG 39 CO -0.14 0.34 -0.75 -1.83 -1.51 0.00 0.00 179.97 176.08 2d99 s GLU 40 N -6.00 1.76 0.37 0.20 -1.05 -0.59 -4.95 118.70 108.44 2d99 s GLU 40 Ca -0.12 -1.67 0.19 0.00 -0.15 0.00 0.00 54.97 53.22 2d99 s GLU 40 Cb 0.21 -3.08 0.53 0.00 -0.44 0.00 0.00 34.13 31.35 2d99 s GLU 40 CO 0.77 -0.80 1.66 -1.00 0.95 0.00 0.00 175.26 176.84 2d99 h PRO 41 N 7.67 0.00 -0.03 -4.83 0.13 -1.67 -3.10 132.00 130.18 2d99 h PRO 41 Ca -0.10 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.85 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 0.50 0.36 -0.78 0.78 -0.23 0.00 0.00 178.00 178.63 2d99 h GLY 42 N 2.65 0.28 0.73 1.56 0.00 -1.92 -3.03 103.07 103.34 2d99 h GLY 42 Ca -0.00 -0.43 0.06 0.00 0.00 0.00 0.00 47.33 46.95 2d99 h GLY 42 CO 0.05 0.38 0.50 -2.00 0.00 0.00 0.00 176.54 175.47 2d99 h LEU 43 N 0.16 0.79 -6.53 3.11 5.85 -1.87 -3.36 115.31 113.46 2d99 h LEU 43 Ca -0.03 0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2d99 h LEU 43 Cb 1.36 -0.15 -0.28 0.00 0.37 0.00 0.00 40.66 41.96 2d99 h LEU 43 CO 0.12 0.51 -0.43 -0.22 -0.34 0.00 0.00 178.44 178.09 2d99 s LEU 44 N -10.21 -0.74 -0.25 2.25 2.96 -1.19 -0.99 118.68 110.51 2d99 s LEU 44 Ca -0.13 0.48 -0.09 0.00 -0.22 0.00 0.00 54.13 54.17 2d99 s LEU 44 Cb 0.18 1.32 -0.04 0.00 0.50 0.00 0.00 46.19 48.14 2d99 s LEU 44 CO 0.78 -0.28 0.13 0.00 -1.32 0.00 0.00 176.35 175.67 2d99 s ALA 45 N 2.60 3.45 -0.34 5.97 0.00 0.42 -4.69 121.76 129.16 2d99 s ALA 45 Ca 0.11 -0.99 -0.24 0.00 0.00 0.00 0.00 51.96 50.84 2d99 s ALA 45 Cb -0.15 -2.26 0.01 0.00 0.00 0.00 0.00 23.12 20.72 2d99 s ALA 45 CO -0.16 -0.32 0.82 0.08 0.00 0.00 0.00 175.76 176.17 2d99 s VAL 46 N 1.32 4.73 0.36 0.00 1.01 -1.26 -1.40 120.40 125.15 2d99 s VAL 46 Ca 0.06 1.07 0.08 0.00 0.00 0.00 0.00 61.98 63.19 2d99 s VAL 46 Cb -0.15 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 2d99 s VAL 46 CO 0.06 -0.38 0.17 -1.10 0.00 0.00 0.00 175.10 173.85 2d99 s GLN 47 N 3.12 2.38 -1.08 2.72 -1.52 0.14 -4.62 119.66 120.80 2d99 s GLN 47 Ca 0.33 -1.58 0.00 0.00 -1.95 0.00 0.00 55.36 52.16 2d99 s GLN 47 Cb -0.13 -2.17 0.00 0.00 -0.22 0.00 0.00 33.01 30.48 2d99 s GLN 47 CO 0.15 0.05 0.00 0.41 -0.25 0.00 0.00 175.29 175.65 2d99 n GLY 48 N -1.21 -0.07 3.83 3.09 0.00 -1.26 0.10 105.19 109.68 2d99 n GLY 48 Ca -0.02 -0.37 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 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 -3.55 2.58 -0.67 0.99 1.43 -1.26 -1.05 118.68 117.16 2d99 s LEU 49 Ca 0.00 1.16 -0.27 0.00 -1.03 0.00 0.00 54.13 53.99 2d99 s LEU 49 Cb 0.00 -3.76 0.01 0.00 0.03 0.00 0.00 46.19 42.46 2d99 s LEU 49 CO 0.00 -1.89 1.56 -2.16 0.23 0.00 0.00 176.35 174.09 2d99 s PRO 50 N -5.27 2.94 0.22 1.29 0.04 -1.26 -4.93 135.00 128.03 2d99 s PRO 50 Ca 0.61 0.20 -0.13 0.00 0.04 0.00 0.00 61.00 61.72 2d99 s PRO 50 Cb -0.13 -4.27 -0.09 0.00 0.04 0.00 0.00 34.50 30.04 2d99 s PRO 50 CO 0.53 -2.41 0.07 0.39 0.04 0.00 0.00 177.00 175.62 2d99 n GLU 51 N 9.24 0.00 -2.81 4.56 1.02 -1.26 -2.92 120.64 128.47 2d99 n GLU 51 Ca 0.12 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.18 2d99 n GLU 51 Cb 0.50 -0.58 0.03 0.00 -0.02 0.00 0.00 31.44 31.38 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 1.33 0.35 0.00 0.62 0.00 -1.26 -5.02 105.19 101.20 2d99 n GLY 52 Ca 0.07 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.15 0.00 -3.72 0.99 4.77 -1.15 -5.13 117.00 110.62 2d99 n LEU 53 Ca -0.02 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.82 2d99 n LEU 53 Cb 0.53 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.53 2d99 n LEU 53 CO 0.23 0.00 0.13 0.00 -1.33 0.00 0.00 177.39 176.42 2d99 s ALA 54 N -1.26 -1.10 -0.09 -1.18 0.00 -1.26 -5.03 121.76 111.84 2d99 s ALA 54 Ca 0.00 1.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.82 2d99 s ALA 54 Cb 0.00 -0.60 -0.07 0.00 0.00 0.00 0.00 23.12 22.45 2d99 s ALA 54 CO 0.00 -0.22 2.06 0.12 0.00 0.00 0.00 175.76 177.72 2d99 s PHE 55 N -0.01 1.26 0.19 0.00 5.36 -1.26 -4.91 117.98 118.61 2d99 s PHE 55 Ca -0.02 0.03 -0.24 0.00 -0.96 0.00 0.00 56.93 55.74 2d99 s PHE 55 Cb -0.03 -4.09 0.05 0.00 -0.34 0.00 0.00 43.02 38.61 2d99 s PHE 55 CO 0.01 -4.79 0.84 -0.98 -1.46 0.00 0.00 175.22 168.84 2d99 s ARG 56 N 5.32 1.39 0.58 10.12 1.70 -1.26 -5.05 118.95 131.74 2d99 s ARG 56 Ca 0.93 -0.74 -0.18 0.00 -0.47 0.00 0.00 55.73 55.28 2d99 s ARG 56 Cb -0.37 0.49 -0.12 0.00 -0.57 0.00 0.00 34.95 34.38 2d99 s ARG 56 CO 0.38 -0.63 0.11 0.54 -1.08 0.00 0.00 175.30 174.62 2d99 n ARG 57 N -0.44 0.19 0.17 3.89 1.74 -1.26 -4.81 116.66 116.14 2d99 n ARG 57 Ca -0.06 0.08 0.13 0.00 -0.77 0.00 0.00 57.85 57.23 2d99 n ARG 57 Cb 0.60 -1.31 0.45 0.00 -1.02 0.00 0.00 32.46 31.18 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 -0.03 0.00 0.00 5.56 0.13 -1.95 -2.56 132.00 133.15 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 1.41 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.54 2d99 h PRO 58 CO 0.42 0.00 -0.86 0.00 -0.23 0.00 0.00 178.00 177.33 2d99 h ALA 59 N 2.25 0.52 0.00 -0.56 0.00 -1.89 -3.28 119.26 116.29 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 0.62 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2d99 h ALA 59 CO 0.00 0.00 -0.72 0.93 0.00 0.00 0.00 179.25 179.46 2d99 h GLU 60 N 0.00 0.00 -7.40 0.00 4.39 -1.80 -3.47 114.58 106.31 2d99 h GLU 60 Ca 0.00 0.00 -0.48 0.00 0.34 0.00 0.00 59.36 59.22 2d99 h GLU 60 Cb 0.89 0.00 0.13 0.00 -0.10 0.00 0.00 28.75 29.67 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 2.56 0.78 4.33 2.02 -1.07 -5.00 117.35 117.71 2d99 s TYR 61 Ca 0.03 1.11 -0.09 0.00 -0.37 0.00 0.00 57.07 57.75 2d99 s TYR 61 Cb 0.11 -3.20 0.17 0.00 -0.40 0.00 0.00 41.96 38.64 2d99 s TYR 61 CO 0.74 -2.17 1.07 -0.25 -1.57 0.00 0.00 175.55 173.38 2d99 n ASP 62 N -3.69 0.51 -0.02 2.29 8.00 -1.26 -4.93 116.55 117.45 2d99 n ASP 62 Ca 0.07 -1.65 -0.16 0.00 0.71 0.00 0.00 54.79 53.76 2d99 n ASP 62 Cb 0.57 -0.78 -0.11 0.00 -0.02 0.00 0.00 41.12 40.78 2d99 n ASP 62 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2d99 h PRO 63 N 0.00 0.31 0.00 -0.24 0.13 -1.98 -2.77 132.00 127.45 2d99 h PRO 63 Ca -0.35 -0.30 -0.04 0.00 -0.87 0.00 0.00 66.00 64.44 2d99 h PRO 63 Cb 1.06 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2d99 h PRO 63 CO 0.29 0.98 -0.19 0.87 -0.23 0.00 0.00 178.00 179.72 2d99 h LYS 64 N -0.25 0.00 0.39 0.86 6.56 -1.99 -2.91 116.57 119.23 2d99 h LYS 64 Ca -0.04 0.00 -0.02 0.00 -1.06 0.00 0.00 60.65 59.53 2d99 h LYS 64 Cb 1.09 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.76 2d99 h LYS 64 CO 0.08 0.19 -0.19 0.00 -2.06 0.00 0.00 179.45 177.47 2d99 h ALA 65 N 1.81 -0.53 -0.81 3.86 0.00 -1.93 -0.19 119.26 121.47 2d99 h ALA 65 Ca -0.00 -0.18 0.15 0.00 0.00 0.00 0.00 54.91 54.87 2d99 h ALA 65 Cb 0.70 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 18.60 2d99 h ALA 65 CO 0.02 -0.65 0.38 -0.07 0.00 0.00 0.00 179.25 178.94 2d99 h LEU 66 N -0.83 0.42 -1.50 0.00 3.38 -1.42 1.06 115.31 116.42 2d99 h LEU 66 Ca -0.05 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.96 2d99 h LEU 66 Cb 0.54 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2d99 h LEU 66 CO 0.09 0.16 -0.25 0.24 0.09 0.00 0.00 178.44 178.77 2d99 h MET 67 N 0.54 0.00 0.00 1.13 2.86 -1.38 -0.47 114.93 117.60 2d99 h MET 67 Ca 0.45 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.92 2d99 h MET 67 Cb 0.66 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 2d99 h MET 67 CO -0.38 0.25 -0.97 0.00 1.06 0.00 0.00 176.91 176.87 2d99 h ALA 68 N 1.75 0.58 -0.17 6.32 0.00 0.18 -2.96 119.26 124.96 2d99 h ALA 68 Ca -0.00 -0.78 -0.09 0.00 0.00 0.00 0.00 54.91 54.03 2d99 h ALA 68 Cb 0.45 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2d99 h ALA 68 CO 0.03 0.98 -0.24 0.82 0.00 0.00 0.00 179.25 180.85 2d99 h ILE 69 N 0.00 1.35 -0.64 0.00 2.04 0.17 0.54 117.51 120.96 2d99 h ILE 69 Ca -0.07 -1.46 -0.03 0.00 1.00 0.00 0.00 64.86 64.30 2d99 h ILE 69 Cb 1.61 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.56 2d99 h ILE 69 CO 0.08 0.44 0.27 -0.07 0.00 0.00 0.00 178.15 178.87 2d99 h LEU 70 N 0.10 0.85 -0.06 1.44 3.38 -1.20 1.74 115.31 121.55 2d99 h LEU 70 Ca 0.02 -0.11 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2d99 h LEU 70 Cb 0.81 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.35 2d99 h LEU 70 CO 0.06 0.75 -0.36 -0.33 0.09 0.00 0.00 178.44 178.65 2d99 h GLU 71 N 0.92 0.36 0.00 1.13 5.08 -1.40 -3.04 114.58 117.62 2d99 h GLU 71 Ca 0.22 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2d99 h GLU 71 Cb 0.16 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2d99 h GLU 71 CO -0.02 0.95 0.00 0.72 -1.00 0.00 0.00 179.01 179.66 2d99 n HIS 72 N -4.39 0.21 0.19 4.33 8.25 0.19 -3.18 115.22 120.83 2d99 n HIS 72 Ca -0.09 0.07 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 2d99 n HIS 72 Cb 0.53 -0.61 0.49 0.00 1.12 0.00 0.00 29.99 31.52 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 0.00 0.79 0.41 4.64 0.28 0.88 113.55 120.55 2d99 h SER 73 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2d99 h SER 73 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 2d99 h SER 73 CO 0.00 0.00 0.00 1.12 -0.87 0.00 0.00 176.83 177.08 2d99 h HIS 74 N 0.00 0.00 0.00 4.77 2.07 -1.74 -3.14 115.15 117.11 2d99 h HIS 74 Ca 0.00 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.47 2d99 h HIS 74 Cb 0.49 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.46 2d99 h HIS 74 CO 0.00 0.00 -1.20 2.89 -3.07 0.00 0.00 177.93 176.55 2d99 n ARG 75 N -2.90 3.51 -1.36 5.12 1.85 0.29 -5.01 116.66 118.16 2d99 n ARG 75 Ca 0.00 -0.00 -0.61 0.00 -1.00 0.00 0.00 57.85 56.24 2d99 n ARG 75 Cb 0.25 -1.07 -0.11 0.00 -1.05 0.00 0.00 32.46 30.47 2d99 n ARG 75 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 2d99 n ILE 76 N -2.10 0.01 -4.29 8.89 5.41 -0.21 -4.29 119.36 122.78 2d99 n ILE 76 Ca -0.05 -0.01 -0.18 0.00 1.00 0.00 0.00 62.75 63.52 2d99 n ILE 76 Cb 0.59 -0.56 -0.14 0.00 -0.71 0.00 0.00 39.64 38.82 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 5.38 0.66 0.15 0.38 1.81 0.28 -4.93 118.95 122.68 2d99 s ARG 77 Ca 1.16 -0.36 -0.04 0.00 -1.72 0.00 0.00 55.73 54.77 2d99 s ARG 77 Cb -1.47 -0.62 -0.05 0.00 -0.45 0.00 0.00 34.95 32.36 2d99 s ARG 77 CO 0.68 0.17 0.38 -0.06 -0.68 0.00 0.00 175.30 175.79 2d99 s PHE 78 N -0.34 3.47 -0.11 -0.53 0.40 -1.26 0.28 117.98 119.89 2d99 s PHE 78 Ca 0.02 0.54 -0.02 0.00 -0.60 0.00 0.00 56.93 56.87 2d99 s PHE 78 Cb -0.04 -1.99 0.04 0.00 0.51 0.00 0.00 43.02 41.54 2d99 s PHE 78 CO -0.00 0.43 0.01 0.15 0.70 0.00 0.00 175.22 176.51 2d99 s LYS 79 N -2.73 0.63 0.08 0.44 -0.14 -0.49 -4.89 119.74 112.64 2d99 s LYS 79 Ca 0.41 -0.07 -0.05 0.00 -1.36 0.00 0.00 55.97 54.90 2d99 s LYS 79 Cb -0.12 -1.37 -0.05 0.00 -1.68 0.00 0.00 37.83 34.61 2d99 s LYS 79 CO 0.25 -0.42 0.31 -0.51 -0.76 0.00 0.00 175.35 174.23 2d99 s LEU 80 N 1.94 4.33 1.07 3.17 1.43 -1.26 -0.44 118.68 128.91 2d99 s LEU 80 Ca 0.03 0.54 -0.16 0.00 -1.03 0.00 0.00 54.13 53.52 2d99 s LEU 80 Cb -0.14 -3.00 0.10 0.00 0.03 0.00 0.00 46.19 43.19 2d99 s LEU 80 CO -0.06 0.15 0.27 1.17 0.23 0.00 0.00 176.35 178.11 2d99 n LYS 81 N 0.55 -1.25 -1.35 1.70 4.81 -0.16 -4.82 118.16 117.64 2d99 n LYS 81 Ca -0.06 -0.34 -0.41 0.00 -0.87 0.00 0.00 58.31 56.63 2d99 n LYS 81 Cb 0.52 -1.82 0.01 0.00 0.02 0.00 0.00 35.03 33.76 2d99 n LYS 81 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2d99 n ARG 82 N -2.32 0.21 -1.69 1.64 1.74 -1.26 -4.91 116.66 110.07 2d99 n ARG 82 Ca 0.03 0.08 -0.31 0.00 -0.77 0.00 0.00 57.85 56.88 2d99 n ARG 82 Cb 0.58 -1.21 0.04 0.00 -1.02 0.00 0.00 32.46 30.85 2d99 n ARG 82 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2d99 s PRO 83 N -1.27 3.04 -0.03 5.56 0.04 -1.26 -5.07 135.00 136.01 2d99 s PRO 83 Ca 0.61 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.68 2d99 s PRO 83 Cb -0.59 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 31.95 2d99 s PRO 83 CO 0.61 -1.02 -0.09 0.45 0.04 0.00 0.00 177.00 176.99 2d99 s SER 84 N -3.56 1.21 0.27 6.66 0.15 -1.26 -5.12 113.70 112.04 2d99 s SER 84 Ca 0.59 -0.19 -0.30 0.00 0.70 0.00 0.00 55.95 56.76 2d99 s SER 84 Cb -0.14 -0.34 -0.10 0.00 -1.71 0.00 0.00 66.02 63.73 2d99 s SER 84 CO 0.51 0.06 1.35 -0.55 1.20 0.00 0.00 173.24 175.81 2d99 s SER 85 N 0.22 6.77 0.00 5.45 0.15 -1.26 -4.91 113.70 120.12 2d99 s SER 85 Ca -0.04 2.61 0.00 0.00 0.70 0.00 0.00 55.95 59.22 2d99 s SER 85 Cb -0.09 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 2d99 s SER 85 CO 0.01 -0.59 0.00 0.61 1.20 0.00 0.00 173.24 174.47 2d99 n GLY 86 N 1.69 -0.72 3.77 9.45 0.00 -1.26 -5.16 105.19 112.96 2d99 n GLY 86 Ca 0.04 -1.01 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.46 0.02 -0.08 1.61 0.04 -1.26 -5.08 135.00 128.79 2d99 s PRO 87 Ca 0.00 -0.14 0.02 0.00 0.04 0.00 0.00 61.00 60.92 2d99 s PRO 87 Cb 0.00 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.81 2d99 s PRO 87 CO 0.00 -2.88 -0.13 0.45 0.04 0.00 0.00 177.00 174.49 2d99 s SER 88 N -4.33 2.01 -0.18 6.66 0.15 -1.26 -4.92 113.70 111.83 2d99 s SER 88 Ca 0.71 -0.33 -0.12 0.00 0.70 0.00 0.00 55.95 56.90 2d99 s SER 88 Cb -0.08 -0.90 0.02 0.00 -1.71 0.00 0.00 66.02 63.34 2d99 s SER 88 CO 0.54 0.02 0.22 -0.24 1.20 0.00 0.00 173.24 174.98 2d99 n SER 89 N 4.02 -6.48 0.00 5.45 2.88 -1.26 -5.22 113.62 113.01 2d99 n SER 89 Ca -0.21 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.69 2d99 n SER 89 Cb 0.51 -2.16 0.00 0.00 -0.75 0.00 0.00 64.21 61.81 2d99 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42