#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwm s SER 10 N 0.00 -0.05 0.93 1.61 0.15 -0.98 -4.99 113.70 110.37 2wwm s SER 10 Ca 0.00 0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.99 2wwm s SER 10 Cb 0.00 1.29 0.15 0.00 -1.71 0.00 0.00 66.02 65.75 2wwm s SER 10 CO 0.00 -0.28 1.09 -2.16 1.20 0.00 0.00 173.24 173.09 2wwm s PRO 11 N 2.60 0.99 0.47 5.44 0.04 -1.26 -1.21 135.00 142.07 2wwm s PRO 11 Ca 0.11 0.75 -0.22 0.00 0.04 0.00 0.00 61.00 61.68 2wwm s PRO 11 Cb -0.15 -1.78 -0.08 0.00 0.04 0.00 0.00 34.50 32.53 2wwm s PRO 11 CO -0.16 -2.41 1.12 -2.14 0.04 0.00 0.00 177.00 173.45 2wwm s PRO 12 N -4.93 3.77 0.04 0.56 0.02 -1.26 -4.45 135.00 128.75 2wwm s PRO 12 Ca 0.64 1.63 -0.27 0.00 0.02 0.00 0.00 61.00 63.02 2wwm s PRO 12 Cb -0.18 -2.31 0.07 0.00 0.02 0.00 0.00 34.50 32.09 2wwm s PRO 12 CO 0.57 -0.51 0.62 0.00 -0.33 0.00 0.00 177.00 177.35 2wwm s PHE 14 N -2.26 3.23 -0.06 0.00 0.08 -1.26 -0.56 117.98 117.15 2wwm s PHE 14 Ca -0.06 0.46 -0.23 0.00 0.12 0.00 0.00 56.93 57.22 2wwm s PHE 14 Cb -0.01 -2.83 -0.18 0.00 -0.57 0.00 0.00 43.02 39.44 2wwm s PHE 14 CO 0.00 -0.40 0.94 1.25 -0.10 0.00 0.00 175.22 176.91 2wwm h LEU 15 N 8.94 -0.11 -8.55 -0.37 5.85 -0.95 -3.45 115.31 116.68 2wwm h LEU 15 Ca -0.28 -0.47 -0.69 0.00 0.84 0.00 0.00 57.88 57.27 2wwm h LEU 15 Cb 1.13 0.03 -0.31 0.00 0.37 0.00 0.00 40.66 41.89 2wwm h LEU 15 CO 0.74 0.49 -0.88 -0.13 -0.34 0.00 0.00 178.44 178.32 2wwm s ARG 16 N -3.41 2.38 0.09 1.25 0.52 -1.06 -4.96 118.95 113.77 2wwm s ARG 16 Ca -0.14 -0.91 -0.05 0.00 -0.52 0.00 0.00 55.73 54.11 2wwm s ARG 16 Cb 0.00 -2.12 -0.05 0.00 0.52 0.00 0.00 34.95 33.30 2wwm s ARG 16 CO 0.55 0.46 0.33 -0.06 0.02 0.00 0.00 175.30 176.60 2wwm s PHE 17 N -0.35 3.52 0.03 -0.53 0.08 -1.26 -1.40 117.98 118.06 2wwm s PHE 17 Ca 0.02 0.55 -0.30 0.00 0.12 0.00 0.00 56.93 57.32 2wwm s PHE 17 Cb -0.12 -1.99 -0.07 0.00 -0.57 0.00 0.00 43.02 40.27 2wwm s PHE 17 CO 0.02 0.51 1.61 -1.25 -0.10 0.00 0.00 175.22 176.00 2wwm s PRO 18 N -2.32 4.21 0.16 0.24 0.04 -1.25 -4.75 135.00 131.32 2wwm s PRO 18 Ca 0.36 2.23 -0.02 0.00 0.04 0.00 0.00 61.00 63.61 2wwm s PRO 18 Cb -0.13 -3.69 -0.05 0.00 0.04 0.00 0.00 34.50 30.67 2wwm s PRO 18 CO 0.22 -0.73 0.36 1.03 0.04 0.00 0.00 177.00 177.92 2wwm s ARG 19 N 2.94 3.55 0.50 4.56 0.52 -1.26 -4.54 118.95 125.22 2wwm s ARG 19 Ca 0.72 -0.26 -0.22 0.00 -0.52 0.00 0.00 55.73 55.45 2wwm s ARG 19 Cb -0.37 -2.87 -0.06 0.00 0.52 0.00 0.00 34.95 32.17 2wwm s ARG 19 CO 0.31 0.46 1.21 -1.25 0.02 0.00 0.00 175.30 176.04 2wwm s PRO 20 N -2.94 3.51 0.03 3.54 0.04 -1.26 -4.81 135.00 133.11 2wwm s PRO 20 Ca 0.39 1.87 0.05 0.00 0.04 0.00 0.00 61.00 63.35 2wwm s PRO 20 Cb -0.12 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.11 2wwm s PRO 20 CO 0.27 -0.78 -0.15 0.14 0.04 0.00 0.00 177.00 176.52 2wwm s VAL 21 N -1.51 1.19 -0.25 -0.36 -7.23 -1.02 -4.99 120.40 106.22 2wwm s VAL 21 Ca 0.67 -0.93 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 2wwm s VAL 21 Cb -0.31 -1.05 0.07 0.00 0.56 0.00 0.00 36.38 35.64 2wwm s VAL 21 CO 0.37 0.11 -0.05 -0.13 -0.31 0.00 0.00 175.10 175.09 2wwm s ARG 22 N -0.94 1.71 0.21 4.82 0.52 -1.26 -0.56 118.95 123.45 2wwm s ARG 22 Ca 0.03 -1.16 0.12 0.00 -0.52 0.00 0.00 55.73 54.20 2wwm s ARG 22 Cb -0.07 -2.69 -0.05 0.00 0.52 0.00 0.00 34.95 32.67 2wwm s ARG 22 CO 0.01 -0.64 -0.23 0.54 0.02 0.00 0.00 175.30 175.00 2wwm s VAL 23 N 1.29 2.39 0.08 3.52 0.11 0.85 -4.96 120.40 123.69 2wwm s VAL 23 Ca -0.04 -2.11 -0.26 0.00 -2.93 0.00 0.00 61.98 56.63 2wwm s VAL 23 Cb -0.19 -2.17 -0.06 0.00 -1.53 0.00 0.00 36.38 32.43 2wwm s VAL 23 CO -0.07 -0.18 0.80 0.54 -3.33 0.00 0.00 175.10 172.86 2wwm s VAL 24 N -1.86 4.62 -0.15 2.04 0.11 -1.26 -0.69 120.40 123.20 2wwm s VAL 24 Ca 0.23 1.71 -0.42 0.00 -2.93 0.00 0.00 61.98 60.57 2wwm s VAL 24 Cb -0.07 -4.15 -0.20 0.00 -1.53 0.00 0.00 36.38 30.43 2wwm s VAL 24 CO 0.11 0.39 1.26 -0.24 -3.33 0.00 0.00 175.10 173.29 2wwm n SER 25 N 2.55 0.48 0.00 3.54 2.88 -0.00 -1.38 113.62 121.69 2wwm n SER 25 Ca -0.02 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 2wwm n SER 25 Cb 0.50 -0.92 0.00 0.00 -0.75 0.00 0.00 64.21 63.03 2wwm n SER 25 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wwm n GLY 26 N 2.36 2.83 3.99 0.46 0.00 -0.36 -4.95 105.19 109.52 2wwm n GLY 26 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 2wwm n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwm n ALA 27 N -1.83 0.06 -2.39 4.61 0.00 -0.48 -4.27 120.51 116.22 2wwm n ALA 27 Ca 0.00 -2.00 -0.40 0.00 0.00 0.00 0.00 53.44 51.04 2wwm n ALA 27 Cb 0.00 0.30 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 2wwm n ALA 27 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 2wwm s GLU 28 N -5.25 4.52 -0.12 0.00 2.12 -1.26 -0.39 118.70 118.32 2wwm s GLU 28 Ca 0.69 1.12 0.01 0.00 0.36 0.00 0.00 54.97 57.15 2wwm s GLU 28 Cb -0.04 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 31.00 2wwm s GLU 28 CO 0.46 0.27 -0.13 0.00 -0.54 0.00 0.00 175.26 175.31 2wwm s ALA 29 N -0.02 1.63 -0.13 6.30 0.00 -0.87 -4.95 121.76 123.73 2wwm s ALA 29 Ca 0.40 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.65 2wwm s ALA 29 Cb -0.21 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.05 2wwm s ALA 29 CO 0.24 -0.21 -0.14 -2.00 0.00 0.00 0.00 175.76 173.65 2wwm s GLU 30 N 1.23 2.19 -0.08 0.00 2.12 -1.26 -1.07 118.70 121.83 2wwm s GLU 30 Ca -0.02 -0.53 -0.14 0.00 0.36 0.00 0.00 54.97 54.64 2wwm s GLU 30 Cb -0.14 -1.95 -0.05 0.00 0.26 0.00 0.00 34.13 32.25 2wwm s GLU 30 CO -0.05 -0.15 0.34 -0.51 -0.54 0.00 0.00 175.26 174.35 2wwm s LEU 31 N 1.26 4.37 -0.07 2.70 1.43 -0.33 -4.94 118.68 123.10 2wwm s LEU 31 Ca -0.01 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.86 2wwm s LEU 31 Cb -0.14 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.64 2wwm s LEU 31 CO -0.06 0.24 -0.14 -0.54 0.23 0.00 0.00 176.35 176.07 2wwm s LYS 32 N -0.43 1.88 0.27 1.70 1.02 -1.26 -0.84 119.74 122.08 2wwm s LYS 32 Ca 0.20 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.73 2wwm s LYS 32 Cb -0.15 -1.53 -0.05 0.00 -0.52 0.00 0.00 37.83 35.59 2wwm s LYS 32 CO 0.09 0.06 0.12 0.00 -0.92 0.00 0.00 175.35 174.70 2wwm s VAL 34 N -3.71 0.22 0.02 0.00 1.01 -0.49 -1.18 120.40 116.26 2wwm s VAL 34 Ca 0.37 0.12 0.08 0.00 0.00 0.00 0.00 61.98 62.55 2wwm s VAL 34 Cb 0.07 -0.34 -0.02 0.00 0.00 0.00 0.00 36.38 36.08 2wwm s VAL 34 CO 0.15 0.18 -0.23 -0.69 0.00 0.00 0.00 175.10 174.51 2wwm s VAL 35 N 1.37 1.87 0.17 2.92 1.01 -0.26 -0.24 120.40 127.23 2wwm s VAL 35 Ca -0.05 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 60.83 2wwm s VAL 35 Cb -0.13 -1.59 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2wwm s VAL 35 CO -0.02 0.39 -0.13 -0.76 0.00 0.00 0.00 175.10 174.57 2wwm s LEU 36 N -0.92 2.51 0.00 3.92 1.43 0.28 -4.55 118.68 121.34 2wwm s LEU 36 Ca 0.09 -0.97 0.00 0.00 -1.03 0.00 0.00 54.13 52.22 2wwm s LEU 36 Cb -0.09 -0.55 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2wwm s LEU 36 CO 0.01 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 176.99 2wwm n GLY 37 N -0.11 2.76 2.80 -3.19 0.00 -1.26 -1.74 105.19 104.45 2wwm n GLY 37 Ca -0.10 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.55 2wwm n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wwm s GLU 38 N -2.09 0.39 1.07 1.61 0.41 -0.35 -3.33 118.70 116.41 2wwm s GLU 38 Ca 0.00 0.10 -0.15 0.00 -0.41 0.00 0.00 54.97 54.51 2wwm s GLU 38 Cb 0.00 -0.65 0.13 0.00 -1.78 0.00 0.00 34.13 31.84 2wwm s GLU 38 CO 0.00 -0.19 0.46 -2.30 -0.49 0.00 0.00 175.26 172.74 2wwm n PRO 39 N 4.50 -1.34 -1.60 0.39 -0.02 -1.26 -2.31 135.00 133.35 2wwm n PRO 39 Ca -0.19 -0.36 -0.57 0.00 -2.02 0.00 0.00 63.50 60.36 2wwm n PRO 39 Cb 0.50 -1.92 -0.08 0.00 -0.02 0.00 0.00 33.50 31.98 2wwm n PRO 39 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wwm n PRO 40 N -2.87 0.94 -1.66 0.52 -0.02 -1.21 -4.86 135.00 125.83 2wwm n PRO 40 Ca 0.04 0.32 -0.39 0.00 -2.02 0.00 0.00 63.50 61.45 2wwm n PRO 40 Cb 0.57 -2.08 0.04 0.00 -0.02 0.00 0.00 33.50 32.01 2wwm n PRO 40 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2wwm n PRO 41 N 6.18 1.32 -3.00 0.52 -0.02 -1.26 -4.93 135.00 133.80 2wwm n PRO 41 Ca 0.33 0.49 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 2wwm n PRO 41 Cb 0.12 -2.27 -0.05 0.00 -0.02 0.00 0.00 33.50 31.28 2wwm n PRO 41 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wwm s VAL 42 N -1.37 4.92 -0.19 -1.45 -7.23 0.75 -4.81 120.40 111.03 2wwm s VAL 42 Ca 0.70 1.36 -0.13 0.00 -1.81 0.00 0.00 61.98 62.10 2wwm s VAL 42 Cb -0.46 -4.03 -0.05 0.00 0.56 0.00 0.00 36.38 32.41 2wwm s VAL 42 CO 0.51 0.01 0.27 -0.69 -0.31 0.00 0.00 175.10 174.89 2wwm s VAL 43 N 2.47 5.31 0.22 1.32 1.01 -1.26 -1.63 120.40 127.83 2wwm s VAL 43 Ca 0.31 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.82 2wwm s VAL 43 Cb -0.16 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2wwm s VAL 43 CO 0.09 0.36 -0.08 0.68 0.00 0.00 0.00 175.10 176.15 2wwm s VAL 44 N 0.72 1.49 0.08 2.92 -7.23 -0.23 -5.00 120.40 113.14 2wwm s VAL 44 Ca 0.14 -2.13 0.09 0.00 -1.81 0.00 0.00 61.98 58.28 2wwm s VAL 44 Cb -0.13 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 2wwm s VAL 44 CO 0.04 -0.48 -0.25 0.26 -0.31 0.00 0.00 175.10 174.36 2wwm s TRP 45 N -3.13 2.17 -0.01 2.82 0.52 -1.26 -1.03 118.94 119.03 2wwm s TRP 45 Ca 0.25 -0.40 0.03 0.00 0.02 0.00 0.00 56.10 56.00 2wwm s TRP 45 Cb 0.02 -1.24 -0.01 0.00 -1.15 0.00 0.00 33.47 31.09 2wwm s TRP 45 CO 0.08 0.20 -0.10 -1.21 0.02 0.00 0.00 176.95 175.93 2wwm s GLU 46 N -1.58 0.92 -0.00 4.98 2.02 -0.15 -0.95 118.70 123.92 2wwm s GLU 46 Ca 0.11 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.74 2wwm s GLU 46 Cb -0.10 -0.87 0.00 0.00 0.10 0.00 0.00 34.13 33.26 2wwm s GLU 46 CO 0.04 0.20 -0.01 0.21 0.02 0.00 0.00 175.26 175.72 2wwm s LYS 47 N -0.14 0.10 -1.75 1.61 2.20 -0.62 -0.82 119.74 120.34 2wwm s LYS 47 Ca 0.02 -0.03 0.00 0.00 -0.36 0.00 0.00 55.97 55.60 2wwm s LYS 47 Cb -0.05 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.15 2wwm s LYS 47 CO -0.00 0.02 0.00 0.41 -0.36 0.00 0.00 175.35 175.41 2wwm n GLY 48 N 3.12 0.91 2.81 5.54 0.00 -1.26 -1.66 105.19 114.65 2wwm n GLY 48 Ca -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.73 2wwm n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwm n GLY 49 N -0.88 0.94 3.76 -0.02 0.00 -1.26 -5.03 105.19 102.70 2wwm n GLY 49 Ca -0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2wwm n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wwm s GLN 50 N -0.03 3.28 0.22 1.61 -0.21 -0.66 -5.09 119.66 118.78 2wwm s GLN 50 Ca 0.00 -0.28 -0.30 0.00 0.02 0.00 0.00 55.36 54.80 2wwm s GLN 50 Cb 0.00 -3.01 -0.09 0.00 1.00 0.00 0.00 33.01 30.92 2wwm s GLN 50 CO 0.00 0.70 1.27 -1.14 -2.12 0.00 0.00 175.29 173.99 2wwm s GLN 51 N -0.83 4.43 -0.09 2.91 0.74 -1.26 -1.58 119.66 123.98 2wwm s GLN 51 Ca 0.13 2.02 -0.11 0.00 0.05 0.00 0.00 55.36 57.45 2wwm s GLN 51 Cb -0.12 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.76 2wwm s GLN 51 CO 0.03 -0.16 0.25 -0.51 -0.55 0.00 0.00 175.29 174.35 2wwm s LEU 52 N -0.53 4.39 0.19 3.68 1.43 -0.13 -4.93 118.68 122.77 2wwm s LEU 52 Ca 0.53 0.63 0.06 0.00 -1.03 0.00 0.00 54.13 54.33 2wwm s LEU 52 Cb -0.36 -2.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 2wwm s LEU 52 CO 0.40 0.32 0.09 0.00 0.23 0.00 0.00 176.35 177.40 2wwm s ALA 53 N -0.76 3.43 -0.07 4.21 0.00 -1.26 -4.66 121.76 122.65 2wwm s ALA 53 Ca 0.18 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.52 2wwm s ALA 53 Cb -0.14 -1.20 -0.05 0.00 0.00 0.00 0.00 23.12 21.74 2wwm s ALA 53 CO 0.07 0.45 1.52 0.00 0.00 0.00 0.00 175.76 177.80 2wwm s ALA 54 N -1.83 3.63 0.00 0.00 0.00 -1.26 -4.92 121.76 117.37 2wwm s ALA 54 Ca 0.30 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2wwm s ALA 54 Cb -0.09 -3.69 0.00 0.00 0.00 0.00 0.00 23.12 19.34 2wwm s ALA 54 CO 0.22 -1.25 0.00 -1.13 0.00 0.00 0.00 175.76 173.60 2wwm n SER 55 N 6.65 1.60 -0.02 0.00 3.41 -0.41 -4.99 113.62 119.86 2wwm n SER 55 Ca 0.16 -0.81 0.14 0.00 -0.26 0.00 0.00 58.87 58.10 2wwm n SER 55 Cb 0.43 0.00 0.65 0.00 -0.26 0.00 0.00 64.21 65.04 2wwm n SER 55 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wwm n GLU 56 N -0.16 0.29 -0.03 4.33 -0.58 -1.26 -3.42 120.64 119.81 2wwm n GLU 56 Ca 0.00 -0.04 -0.01 0.00 -0.42 0.00 0.00 57.16 56.70 2wwm n GLU 56 Cb 0.00 -1.50 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 2wwm n GLU 56 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 2wwm n ARG 57 N -1.33 1.79 -4.10 3.49 3.00 -1.26 -4.94 116.66 113.31 2wwm n ARG 57 Ca 0.11 -0.03 -0.34 0.00 -0.01 0.00 0.00 57.85 57.58 2wwm n ARG 57 Cb 0.29 -1.21 -0.14 0.00 0.00 0.00 0.00 32.46 31.40 2wwm n ARG 57 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2wwm s LEU 58 N -4.22 2.82 0.20 0.55 2.96 -1.22 -1.27 118.68 118.50 2wwm s LEU 58 Ca -0.04 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.51 2wwm s LEU 58 Cb 0.04 -1.70 -0.05 0.00 0.50 0.00 0.00 46.19 44.98 2wwm s LEU 58 CO 0.34 0.02 0.03 -0.94 -1.32 0.00 0.00 176.35 174.48 2wwm s SER 59 N 1.20 1.30 -0.49 3.68 1.04 -0.40 -1.29 113.70 118.74 2wwm s SER 59 Ca 0.02 -1.23 0.07 0.00 0.48 0.00 0.00 55.95 55.29 2wwm s SER 59 Cb -0.14 0.11 0.24 0.00 0.10 0.00 0.00 66.02 66.33 2wwm s SER 59 CO -0.02 -0.60 0.58 0.49 0.98 0.00 0.00 173.24 174.66 2wwm n PHE 60 N -0.32 1.13 -1.71 5.02 3.72 -1.26 -0.28 117.46 123.75 2wwm n PHE 60 Ca -0.05 -3.78 -0.43 0.00 -0.05 0.00 0.00 57.45 53.15 2wwm n PHE 60 Cb 0.64 -0.37 -0.03 0.00 -0.94 0.00 0.00 39.48 38.77 2wwm n PHE 60 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wwm n PRO 61 N 1.40 2.72 -4.55 -1.08 -0.04 -1.23 -4.69 135.00 127.54 2wwm n PRO 61 Ca 0.25 0.98 -0.24 0.00 -0.04 0.00 0.00 63.50 64.45 2wwm n PRO 61 Cb 0.47 -2.83 -0.16 0.00 -0.04 0.00 0.00 33.50 30.94 2wwm n PRO 61 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2wwm s ALA 62 N 1.35 1.17 -0.39 0.55 0.00 -1.26 -0.64 121.76 122.55 2wwm s ALA 62 Ca 0.76 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.34 2wwm s ALA 62 Cb -0.52 -0.50 0.15 0.00 0.00 0.00 0.00 23.12 22.25 2wwm s ALA 62 CO 0.33 0.13 0.26 0.34 0.00 0.00 0.00 175.76 176.82 2wwm s ASP 63 N 0.51 2.70 1.74 0.00 -1.08 0.05 -5.02 116.67 115.57 2wwm s ASP 63 Ca -0.11 -2.52 0.00 0.00 -0.52 0.00 0.00 52.55 49.40 2wwm s ASP 63 Cb -0.14 -0.53 0.00 0.00 -1.46 0.00 0.00 42.92 40.80 2wwm s ASP 63 CO 0.03 -0.26 0.00 0.61 0.52 0.00 0.00 175.17 176.07 2wwm n GLY 64 N 3.60 2.94 0.16 2.66 0.00 -1.26 -2.57 105.19 110.73 2wwm n GLY 64 Ca 0.16 0.08 0.04 0.00 0.00 0.00 0.00 46.02 46.30 2wwm n GLY 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wwm h ALA 65 N -0.74 0.86 -1.97 4.61 0.00 -1.97 -3.44 119.26 116.61 2wwm h ALA 65 Ca 0.00 -0.43 -0.58 0.00 0.00 0.00 0.00 54.91 53.90 2wwm h ALA 65 Cb 0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.64 2wwm h ALA 65 CO 0.00 0.58 0.73 -1.21 0.00 0.00 0.00 179.25 179.35 2wwm s GLU 66 N -3.37 3.91 0.15 0.00 2.02 -1.06 -1.11 118.70 119.24 2wwm s GLU 66 Ca 0.01 0.76 0.09 0.00 0.02 0.00 0.00 54.97 55.85 2wwm s GLU 66 Cb 0.10 -3.79 -0.04 0.00 0.10 0.00 0.00 34.13 30.50 2wwm s GLU 66 CO 0.72 -0.98 -0.15 -1.01 0.02 0.00 0.00 175.26 173.86 2wwm s HIS 67 N 3.65 2.56 0.11 1.61 3.76 -0.33 -0.77 115.29 125.89 2wwm s HIS 67 Ca 0.42 -0.25 -0.04 0.00 -0.15 0.00 0.00 55.06 55.04 2wwm s HIS 67 Cb -0.11 -1.30 -0.02 0.00 1.11 0.00 0.00 32.58 32.25 2wwm s HIS 67 CO 0.19 0.46 0.11 0.20 -0.85 0.00 0.00 174.74 174.85 2wwm s GLY 68 N -2.49 0.56 -0.12 -2.22 0.00 0.19 -0.92 107.32 102.31 2wwm s GLY 68 Ca 0.21 -1.10 0.02 0.00 0.00 0.00 0.00 44.72 43.85 2wwm s GLY 68 CO 0.12 -1.12 -0.18 -2.27 0.00 0.00 0.00 173.10 169.66 2wwm s LEU 69 N -2.96 1.87 -0.11 0.66 0.20 -0.02 -3.49 118.68 114.83 2wwm s LEU 69 Ca 0.14 -0.50 0.03 0.00 0.69 0.00 0.00 54.13 54.49 2wwm s LEU 69 Cb 0.06 -1.24 0.00 0.00 -0.43 0.00 0.00 46.19 44.59 2wwm s LEU 69 CO -0.04 0.03 -0.23 -0.22 -0.29 0.00 0.00 176.35 175.60 2wwm s LEU 70 N 0.97 2.07 -0.26 -0.68 2.96 0.62 -1.19 118.68 123.18 2wwm s LEU 70 Ca -0.06 -0.56 -0.07 0.00 -0.22 0.00 0.00 54.13 53.23 2wwm s LEU 70 Cb -0.15 -1.40 -0.02 0.00 0.50 0.00 0.00 46.19 45.13 2wwm s LEU 70 CO -0.03 0.13 0.05 -0.76 -1.32 0.00 0.00 176.35 174.42 2wwm s LEU 71 N 0.51 3.45 0.33 -0.68 1.43 -0.23 -1.27 118.68 122.22 2wwm s LEU 71 Ca -0.15 -0.37 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 2wwm s LEU 71 Cb -0.17 -1.88 0.59 0.00 0.03 0.00 0.00 46.19 44.76 2wwm s LEU 71 CO 0.05 -0.07 1.81 0.71 0.23 0.00 0.00 176.35 179.08 2wwm h THR 72 N 5.65 1.23 -1.35 5.49 1.35 -1.49 -2.30 112.91 121.49 2wwm h THR 72 Ca -0.37 -1.07 -0.15 0.00 -0.55 0.00 0.00 66.41 64.27 2wwm h THR 72 Cb 1.16 1.31 -0.24 0.00 -1.73 0.00 0.00 68.15 68.66 2wwm h THR 72 CO 0.59 0.33 -0.52 0.00 -0.25 0.00 0.00 175.52 175.68 2wwm s ALA 73 N -4.57 -1.69 -0.08 6.62 0.00 -1.25 -4.18 121.76 116.60 2wwm s ALA 73 Ca -0.06 -0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.55 2wwm s ALA 73 Cb 0.15 -2.44 -0.11 0.00 0.00 0.00 0.00 23.12 20.71 2wwm s ALA 73 CO 0.76 -2.09 1.93 0.00 0.00 0.00 0.00 175.76 176.35 2wwm n ALA 74 N 4.60 1.05 -2.17 0.00 0.00 0.47 -4.68 120.51 119.79 2wwm n ALA 74 Ca 0.09 0.23 -0.27 0.00 0.00 0.00 0.00 53.44 53.49 2wwm n ALA 74 Cb 0.52 -2.56 0.02 0.00 0.00 0.00 0.00 19.45 17.43 2wwm n ALA 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wwm s LEU 75 N 4.50 3.43 0.36 0.00 1.43 -1.26 -1.23 118.68 125.90 2wwm s LEU 75 Ca 0.93 0.81 0.08 0.00 -1.03 0.00 0.00 54.13 54.92 2wwm s LEU 75 Cb -0.64 -3.70 0.67 0.00 0.03 0.00 0.00 46.19 42.55 2wwm s LEU 75 CO 0.49 -0.83 1.86 -0.65 0.23 0.00 0.00 176.35 177.46 2wwm h PRO 76 N 0.02 0.31 0.00 1.29 0.11 -1.94 -2.87 132.00 128.91 2wwm h PRO 76 Ca -0.46 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2wwm h PRO 76 Cb 1.23 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wwm h PRO 76 CO 0.61 0.47 0.00 0.25 -0.21 0.00 0.00 178.00 179.12 2wwm n THR 77 N -4.23 0.67 0.26 -1.15 -2.24 -1.26 -2.58 114.28 103.75 2wwm n THR 77 Ca -0.00 -0.10 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 2wwm n THR 77 Cb 0.30 -0.79 0.69 0.00 -2.10 0.00 0.00 70.33 68.43 2wwm n THR 77 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2wwm h ASP 78 N 0.00 0.00 -3.49 3.42 3.32 -1.90 -3.45 116.42 114.32 2wwm h ASP 78 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2wwm h ASP 78 Cb 0.60 0.00 0.21 0.00 0.22 0.00 0.00 39.33 40.36 2wwm h ASP 78 CO 0.00 0.13 -0.41 0.00 -1.72 0.00 0.00 179.24 177.25 2wwm n ALA 79 N -2.30 -2.04 0.00 3.45 0.00 -1.07 -4.86 120.51 113.70 2wwm n ALA 79 Ca -0.02 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.92 2wwm n ALA 79 Cb 0.25 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2wwm n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wwm n GLY 80 N 1.37 0.56 3.63 0.00 0.00 -0.63 -4.95 105.19 105.17 2wwm n GLY 80 Ca 0.08 -2.23 -0.38 0.00 0.00 0.00 0.00 46.02 43.49 2wwm n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wwm s VAL 81 N -0.62 5.29 -0.14 1.61 1.01 -1.26 -0.70 120.40 125.60 2wwm s VAL 81 Ca 0.00 0.31 -0.06 0.00 0.00 0.00 0.00 61.98 62.24 2wwm s VAL 81 Cb 0.00 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 2wwm s VAL 81 CO 0.00 0.27 0.06 -0.31 0.00 0.00 0.00 175.10 175.12 2wwm s TYR 82 N 1.46 3.31 -0.19 5.22 1.51 -0.16 -4.49 117.35 124.00 2wwm s TYR 82 Ca 0.10 0.22 -0.04 0.00 -1.01 0.00 0.00 57.07 56.34 2wwm s TYR 82 Cb -0.15 -1.95 -0.02 0.00 -0.11 0.00 0.00 41.96 39.73 2wwm s TYR 82 CO 0.08 0.40 -0.03 0.08 -1.11 0.00 0.00 175.55 174.96 2wwm s VAL 83 N -0.37 3.65 -0.30 0.71 1.01 0.00 -1.18 120.40 123.92 2wwm s VAL 83 Ca 0.09 -0.42 -0.18 0.00 0.00 0.00 0.00 61.98 61.48 2wwm s VAL 83 Cb -0.12 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.61 2wwm s VAL 83 CO 0.02 0.44 0.51 0.00 0.00 0.00 0.00 175.10 176.07 2wwm s ARG 85 N 2.35 3.50 -0.14 0.00 3.52 -0.19 -1.54 118.95 126.45 2wwm s ARG 85 Ca 0.20 -0.58 0.01 0.00 -0.13 0.00 0.00 55.73 55.23 2wwm s ARG 85 Cb -0.15 -3.01 -0.00 0.00 -1.56 0.00 0.00 34.95 30.22 2wwm s ARG 85 CO 0.11 -0.05 -0.16 0.00 -0.81 0.00 0.00 175.30 174.40 2wwm s ALA 86 N 1.12 2.48 -0.03 6.12 0.00 0.76 -1.07 121.76 131.14 2wwm s ALA 86 Ca 0.02 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.01 2wwm s ALA 86 Cb -0.15 -1.17 0.00 0.00 0.00 0.00 0.00 23.12 21.81 2wwm s ALA 86 CO 0.00 0.08 -0.11 0.50 0.00 0.00 0.00 175.76 176.24 2wwm s ARG 87 N 0.64 1.20 0.28 0.00 6.06 -0.65 -0.27 118.95 126.21 2wwm s ARG 87 Ca -0.08 -0.36 0.06 0.00 -2.50 0.00 0.00 55.73 52.84 2wwm s ARG 87 Cb -0.16 -1.08 -0.02 0.00 0.06 0.00 0.00 34.95 33.75 2wwm s ARG 87 CO 0.03 0.12 0.21 0.27 -2.50 0.00 0.00 175.30 173.43 2wwm n ASN 88 N 3.37 -0.33 0.22 -2.12 0.23 -0.48 -0.18 115.26 115.96 2wwm n ASN 88 Ca -0.19 -2.77 0.16 0.00 -0.53 0.00 0.00 54.58 51.25 2wwm n ASN 88 Cb 0.53 1.28 0.83 0.00 -2.08 0.00 0.00 39.78 40.35 2wwm n ASN 88 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wwm h ALA 89 N 1.82 1.80 0.00 -2.53 0.00 -1.92 -1.93 119.26 116.51 2wwm h ALA 89 Ca -0.20 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2wwm h ALA 89 Cb 0.97 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2wwm h ALA 89 CO 0.29 -0.24 -0.95 0.00 0.00 0.00 0.00 179.25 178.35 2wwm h ALA 90 N 1.82 0.66 0.00 0.00 0.00 -1.88 -3.50 119.26 116.36 2wwm h ALA 90 Ca 0.07 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2wwm h ALA 90 Cb 0.40 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2wwm h ALA 90 CO -0.00 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.25 2wwm n GLY 91 N 1.28 -1.09 3.07 0.00 0.00 -0.73 -4.77 105.19 102.95 2wwm n GLY 91 Ca -0.03 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.77 2wwm n GLY 91 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wwm s GLU 92 N -1.39 0.67 -0.03 1.61 2.02 -1.26 -1.38 118.70 118.94 2wwm s GLU 92 Ca 0.00 -0.62 0.05 0.00 0.02 0.00 0.00 54.97 54.42 2wwm s GLU 92 Cb 0.00 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.64 2wwm s GLU 92 CO 0.00 0.14 -0.19 0.00 0.02 0.00 0.00 175.26 175.23 2wwm s ALA 93 N -0.86 1.66 0.06 5.21 0.00 0.63 -4.85 121.76 123.60 2wwm s ALA 93 Ca -0.02 -0.81 0.08 0.00 0.00 0.00 0.00 51.96 51.20 2wwm s ALA 93 Cb -0.07 -0.48 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2wwm s ALA 93 CO 0.01 0.36 -0.23 0.71 0.00 0.00 0.00 175.76 176.61 2wwm s TYR 94 N -0.24 1.98 -0.23 0.00 2.02 -1.26 -0.17 117.35 119.45 2wwm s TYR 94 Ca 0.02 -0.39 -0.16 0.00 -0.37 0.00 0.00 57.07 56.17 2wwm s TYR 94 Cb -0.10 -1.16 0.06 0.00 -0.40 0.00 0.00 41.96 40.37 2wwm s TYR 94 CO 0.01 0.13 0.58 0.00 -1.57 0.00 0.00 175.55 174.70 2wwm s ALA 95 N -0.86 -1.49 0.30 3.71 0.00 -0.59 -4.99 121.76 117.84 2wwm s ALA 95 Ca 0.09 1.87 0.10 0.00 0.00 0.00 0.00 51.96 54.02 2wwm s ALA 95 Cb -0.09 -1.10 -0.05 0.00 0.00 0.00 0.00 23.12 21.87 2wwm s ALA 95 CO 0.02 -0.31 -0.09 0.00 0.00 0.00 0.00 175.76 175.38 2wwm s ALA 96 N 0.97 2.97 -0.11 0.00 0.00 -1.26 0.76 121.76 125.10 2wwm s ALA 96 Ca -0.05 -1.89 -0.20 0.00 0.00 0.00 0.00 51.96 49.82 2wwm s ALA 96 Cb -0.05 -0.36 0.05 0.00 0.00 0.00 0.00 23.12 22.76 2wwm s ALA 96 CO -0.09 0.20 0.50 0.00 0.00 0.00 0.00 175.76 176.37 2wwm s ALA 97 N -2.49 -1.27 -0.10 0.00 0.00 -0.32 -4.77 121.76 112.80 2wwm s ALA 97 Ca 0.32 1.12 -0.16 0.00 0.00 0.00 0.00 51.96 53.24 2wwm s ALA 97 Cb -0.03 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.65 2wwm s ALA 97 CO 0.17 -0.28 0.40 0.00 0.00 0.00 0.00 175.76 176.05 2wwm s ALA 98 N -0.53 3.57 -0.14 0.00 0.00 -1.26 -0.99 121.76 122.41 2wwm s ALA 98 Ca -0.06 -0.29 -0.15 0.00 0.00 0.00 0.00 51.96 51.46 2wwm s ALA 98 Cb -0.03 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.55 2wwm s ALA 98 CO 0.04 0.15 0.35 0.08 0.00 0.00 0.00 175.76 176.38 2wwm s VAL 99 N 0.14 5.26 -0.13 0.00 1.01 0.13 -2.44 120.40 124.36 2wwm s VAL 99 Ca 0.22 0.67 -0.01 0.00 0.00 0.00 0.00 61.98 62.86 2wwm s VAL 99 Cb -0.15 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 2wwm s VAL 99 CO 0.09 0.39 -0.09 -0.89 0.00 0.00 0.00 175.10 174.59 2wwm s THR 100 N 0.38 3.39 -0.17 3.92 2.01 0.27 -1.61 115.64 123.83 2wwm s THR 100 Ca 0.20 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.64 2wwm s THR 100 Cb -0.14 -2.44 -0.01 0.00 0.01 0.00 0.00 72.50 69.92 2wwm s THR 100 CO 0.06 0.52 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.71 2wwm s VAL 101 N 0.25 3.02 -0.20 3.82 1.01 -1.26 -0.10 120.40 126.95 2wwm s VAL 101 Ca -0.07 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2wwm s VAL 101 Cb -0.15 -2.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.88 2wwm s VAL 101 CO 0.04 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 174.92 2wwm s LEU 102 N 0.92 3.65 0.22 3.92 1.43 0.13 -4.87 118.68 124.08 2wwm s LEU 102 Ca -0.02 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 52.94 2wwm s LEU 102 Cb -0.15 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.07 2wwm s LEU 102 CO -0.01 0.12 0.58 -1.61 0.23 0.00 0.00 176.35 175.66 2wwm s GLU 103 N 0.72 3.89 0.66 1.70 2.02 -1.26 -0.82 118.70 125.60 2wwm s GLU 103 Ca 0.03 0.40 -0.18 0.00 0.02 0.00 0.00 54.97 55.25 2wwm s GLU 103 Cb -0.13 -2.70 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 2wwm s GLU 103 CO 0.02 0.34 1.27 -2.14 0.02 0.00 0.00 175.26 174.77 2wwm s PRO 104 N -2.57 2.51 0.14 0.39 0.02 -1.26 -4.88 135.00 129.35 2wwm s PRO 104 Ca 0.45 1.98 -0.33 0.00 0.02 0.00 0.00 61.00 63.12 2wwm s PRO 104 Cb -0.12 -1.85 -0.17 0.00 0.02 0.00 0.00 34.50 32.38 2wwm s PRO 104 CO 0.20 -1.61 1.02 -2.30 -0.33 0.00 0.00 177.00 173.99 2wwm n PRO 105 N -2.03 0.71 0.00 5.54 -0.02 -1.26 -5.20 135.00 132.75 2wwm n PRO 105 Ca 0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.89 2wwm n PRO 105 Cb 0.49 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2wwm n PRO 105 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48