#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwm s ARG 1 N 0.00 1.53 0.68 4.33 0.52 -1.26 -5.12 118.95 119.63 2wwm s ARG 1 Ca 0.00 -1.12 -0.14 0.00 -0.52 0.00 0.00 55.73 53.95 2wwm s ARG 1 Cb 0.00 -1.77 0.01 0.00 0.52 0.00 0.00 34.95 33.71 2wwm s ARG 1 CO 0.00 0.44 1.11 0.20 0.02 0.00 0.00 175.30 177.08 2wwm s GLY 2 N -1.45 2.11 -0.08 -3.53 0.00 -1.26 -4.92 107.32 98.19 2wwm s GLY 2 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.36 2wwm s GLY 2 CO 0.03 0.89 -0.06 -0.42 0.00 0.00 0.00 173.10 173.54 2wwm s ILE 3 N -2.38 0.78 0.59 0.90 1.01 -0.22 -4.91 121.20 116.98 2wwm s ILE 3 Ca 0.67 -0.19 -0.19 0.00 0.00 0.00 0.00 60.65 60.94 2wwm s ILE 3 Cb -0.21 -0.82 -0.04 0.00 0.01 0.00 0.00 42.46 41.41 2wwm s ILE 3 CO 0.43 0.31 1.21 -2.16 0.00 0.00 0.00 174.94 174.73 2wwm s PRO 4 N 1.41 2.96 0.45 2.79 0.05 -1.26 -1.17 135.00 140.23 2wwm s PRO 4 Ca -0.02 1.84 -0.25 0.00 0.05 0.00 0.00 61.00 62.63 2wwm s PRO 4 Cb -0.13 -1.93 -0.08 0.00 0.05 0.00 0.00 34.50 32.41 2wwm s PRO 4 CO -0.04 -1.22 1.32 -1.25 0.05 0.00 0.00 177.00 175.87 2wwm s PRO 5 N -3.32 3.71 -0.11 0.56 0.04 -1.26 -4.33 135.00 130.30 2wwm s PRO 5 Ca 0.78 2.18 -0.03 0.00 0.04 0.00 0.00 61.00 63.96 2wwm s PRO 5 Cb -0.31 -2.59 0.05 0.00 0.04 0.00 0.00 34.50 31.69 2wwm s PRO 5 CO 0.33 -0.71 0.12 0.21 0.04 0.00 0.00 177.00 177.00 2wwm s LYS 6 N -2.48 0.03 0.06 4.56 2.47 -0.91 -4.41 119.74 119.05 2wwm s LYS 6 Ca 0.62 0.32 -0.31 0.00 -1.56 0.00 0.00 55.97 55.04 2wwm s LYS 6 Cb -0.38 -0.82 -0.06 0.00 -1.46 0.00 0.00 37.83 35.11 2wwm s LYS 6 CO 0.48 -0.44 1.24 0.42 0.16 0.00 0.00 175.35 177.21 2wwm s ILE 7 N 2.23 3.93 0.71 5.43 1.01 -1.26 -2.21 121.20 131.03 2wwm s ILE 7 Ca 0.04 1.37 -0.04 0.00 0.00 0.00 0.00 60.65 62.02 2wwm s ILE 7 Cb -0.13 -3.88 0.15 0.00 0.01 0.00 0.00 42.46 38.60 2wwm s ILE 7 CO -0.07 0.09 0.97 -0.62 0.00 0.00 0.00 174.94 175.31 2wwm n GLU 8 N 4.11 -0.33 -0.93 2.79 1.02 -0.86 -4.94 120.64 121.51 2wwm n GLU 8 Ca 0.10 -2.26 -0.37 0.00 -0.02 0.00 0.00 57.16 54.61 2wwm n GLU 8 Cb 0.46 -0.76 -0.05 0.00 -0.02 0.00 0.00 31.44 31.07 2wwm n GLU 8 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wwm n ALA 9 N -3.14 -2.46 -2.91 0.62 0.00 -1.26 -4.71 120.51 106.65 2wwm n ALA 9 Ca -0.16 0.37 -0.23 0.00 0.00 0.00 0.00 53.44 53.43 2wwm n ALA 9 Cb 0.52 -1.09 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 2wwm n ALA 9 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2wwm s LEU 10 N 0.02 1.87 0.78 0.00 2.96 -1.26 -4.54 118.68 118.51 2wwm s LEU 10 Ca 0.56 -0.26 -0.14 0.00 -0.22 0.00 0.00 54.13 54.07 2wwm s LEU 10 Cb -0.79 -0.74 0.07 0.00 0.50 0.00 0.00 46.19 45.23 2wwm s LEU 10 CO 0.35 0.12 1.23 -2.84 -1.32 0.00 0.00 176.35 173.89 2wwm s PRO 11 N 0.05 1.77 -0.11 0.98 0.02 -1.26 -4.97 135.00 131.48 2wwm s PRO 11 Ca -0.02 1.83 -0.24 0.00 0.02 0.00 0.00 61.00 62.59 2wwm s PRO 11 Cb -0.09 -1.78 -0.27 0.00 0.02 0.00 0.00 34.50 32.37 2wwm s PRO 11 CO 0.01 -2.13 0.73 0.77 -0.33 0.00 0.00 177.00 176.05 2wwm h SER 12 N -0.65 0.20 -3.82 2.53 0.02 -1.95 -3.38 113.55 106.50 2wwm h SER 12 Ca -0.47 -0.92 -0.38 0.00 -0.84 0.00 0.00 61.79 59.19 2wwm h SER 12 Cb 1.31 -0.07 -0.30 0.00 0.14 0.00 0.00 62.40 63.48 2wwm h SER 12 CO 0.47 1.26 -0.77 -1.81 -1.14 0.00 0.00 176.83 174.84 2wwm s ASP 13 N -6.64 0.87 0.06 3.07 1.11 -1.26 -0.95 116.67 112.93 2wwm s ASP 13 Ca -0.18 -0.13 0.02 0.00 0.18 0.00 0.00 52.55 52.44 2wwm s ASP 13 Cb 0.00 -0.20 -0.03 0.00 1.07 0.00 0.00 42.92 43.76 2wwm s ASP 13 CO 0.74 0.05 -0.08 0.27 1.18 0.00 0.00 175.17 177.32 2wwm s ILE 14 N 0.15 0.64 0.10 0.77 -4.36 -0.32 -4.93 121.20 113.25 2wwm s ILE 14 Ca -0.02 -1.31 0.08 0.00 -0.26 0.00 0.00 60.65 59.14 2wwm s ILE 14 Cb -0.06 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.70 2wwm s ILE 14 CO -0.00 -0.48 -0.19 -0.44 0.24 0.00 0.00 174.94 174.06 2wwm s SER 15 N -1.95 2.37 -0.10 4.36 0.01 -1.26 0.01 113.70 117.14 2wwm s SER 15 Ca -0.04 -0.68 -0.15 0.00 1.31 0.00 0.00 55.95 56.39 2wwm s SER 15 Cb -0.06 -0.12 0.03 0.00 0.21 0.00 0.00 66.02 66.08 2wwm s SER 15 CO -0.01 0.03 0.37 -0.51 0.41 0.00 0.00 173.24 173.53 2wwm s ILE 16 N -1.24 0.02 0.31 1.44 1.10 -0.14 -4.93 121.20 117.76 2wwm s ILE 16 Ca 0.05 -0.16 -0.27 0.00 -0.51 0.00 0.00 60.65 59.76 2wwm s ILE 16 Cb -0.10 -0.59 -0.09 0.00 0.15 0.00 0.00 42.46 41.83 2wwm s ILE 16 CO 0.04 -0.09 0.99 -1.81 -2.11 0.00 0.00 174.94 171.96 2wwm s ASP 17 N -0.37 7.31 0.37 4.50 1.01 -1.26 -0.95 116.67 127.28 2wwm s ASP 17 Ca -0.05 1.97 -0.27 0.00 0.71 0.00 0.00 52.55 54.91 2wwm s ASP 17 Cb -0.03 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.19 2wwm s ASP 17 CO 0.02 -0.09 1.25 1.21 0.21 0.00 0.00 175.17 177.77 2wwm n GLU 18 N 0.79 1.98 -0.44 8.23 2.13 -1.23 -2.34 120.64 129.75 2wwm n GLU 18 Ca 0.01 0.70 0.00 0.00 0.66 0.00 0.00 57.16 58.53 2wwm n GLU 18 Cb 0.48 -2.31 0.00 0.00 0.27 0.00 0.00 31.44 29.88 2wwm n GLU 18 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wwm n GLY 19 N 0.83 1.80 3.96 8.31 0.00 0.11 -4.89 105.19 115.31 2wwm n GLY 19 Ca 0.06 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.89 2wwm n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwm s LYS 20 N -0.11 2.81 -0.03 1.61 -0.14 -0.99 -4.34 119.74 118.55 2wwm s LYS 20 Ca 0.00 -1.27 -0.19 0.00 -1.36 0.00 0.00 55.97 53.15 2wwm s LYS 20 Cb 0.00 -2.66 -0.05 0.00 -1.68 0.00 0.00 37.83 33.44 2wwm s LYS 20 CO 0.00 -0.16 0.54 0.08 -0.76 0.00 0.00 175.35 175.05 2wwm s VAL 21 N -2.34 4.98 -0.11 3.17 1.01 -1.26 -1.69 120.40 124.17 2wwm s VAL 21 Ca 0.50 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.61 2wwm s VAL 21 Cb -0.08 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2wwm s VAL 21 CO 0.31 0.43 -0.13 -0.22 0.00 0.00 0.00 175.10 175.48 2wwm s LEU 22 N -0.17 2.73 -0.06 3.92 2.96 -0.23 -4.99 118.68 122.84 2wwm s LEU 22 Ca 0.29 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 2wwm s LEU 22 Cb -0.17 -1.60 -0.00 0.00 0.50 0.00 0.00 46.19 44.92 2wwm s LEU 22 CO 0.15 0.22 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.32 2wwm s THR 23 N 0.03 1.62 -0.07 3.68 2.01 -1.26 -0.85 115.64 120.80 2wwm s THR 23 Ca -0.04 -0.80 0.00 0.00 0.31 0.00 0.00 61.69 61.16 2wwm s THR 23 Cb -0.14 -1.41 0.02 0.00 0.01 0.00 0.00 72.50 70.98 2wwm s THR 23 CO 0.04 0.46 -0.06 0.54 -0.69 0.00 0.00 174.62 174.92 2wwm s VAL 24 N 0.20 0.75 0.03 3.82 0.11 -0.44 -5.00 120.40 119.88 2wwm s VAL 24 Ca -0.09 -0.18 0.05 0.00 -2.93 0.00 0.00 61.98 58.82 2wwm s VAL 24 Cb -0.14 -0.78 -0.03 0.00 -1.53 0.00 0.00 36.38 33.89 2wwm s VAL 24 CO 0.04 0.30 -0.09 0.00 -3.33 0.00 0.00 175.10 172.02 2wwm s ALA 25 N 1.32 2.94 -0.11 1.54 0.00 -1.26 -0.98 121.76 125.20 2wwm s ALA 25 Ca -0.04 -1.10 -0.06 0.00 0.00 0.00 0.00 51.96 50.77 2wwm s ALA 25 Cb -0.14 -1.01 0.05 0.00 0.00 0.00 0.00 23.12 22.02 2wwm s ALA 25 CO -0.03 0.62 0.27 0.00 0.00 0.00 0.00 175.76 176.62 2wwm s ALA 27 N 1.37 3.44 0.19 0.00 0.00 -1.26 -1.10 121.76 124.40 2wwm s ALA 27 Ca -0.09 -0.47 -0.23 0.00 0.00 0.00 0.00 51.96 51.18 2wwm s ALA 27 Cb -0.10 -2.55 0.05 0.00 0.00 0.00 0.00 23.12 20.52 2wwm s ALA 27 CO -0.09 -0.18 0.67 -0.59 0.00 0.00 0.00 175.76 175.57 2wwm s PHE 28 N -2.55 -0.39 0.37 0.00 -0.12 -0.74 -2.02 117.98 112.52 2wwm s PHE 28 Ca 0.47 0.10 0.04 0.00 -0.05 0.00 0.00 56.93 57.49 2wwm s PHE 28 Cb -0.10 0.61 -0.05 0.00 -0.63 0.00 0.00 43.02 42.85 2wwm s PHE 28 CO 0.39 -0.97 0.06 0.95 -0.05 0.00 0.00 175.22 175.60 2wwm s THR 29 N -3.77 1.17 0.00 -4.49 -4.23 -0.94 -4.46 115.64 98.92 2wwm s THR 29 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 2wwm s THR 29 Cb -0.03 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.14 2wwm s THR 29 CO -0.05 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.64 2wwm n GLY 30 N -0.82 4.78 2.70 3.99 0.00 -1.26 -2.15 105.19 112.42 2wwm n GLY 30 Ca -0.05 -0.98 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 2wwm n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wwm s GLU 31 N -4.27 -0.07 0.97 1.61 0.41 -0.32 -3.75 118.70 113.29 2wwm s GLU 31 Ca 0.00 0.34 -0.11 0.00 -0.41 0.00 0.00 54.97 54.78 2wwm s GLU 31 Cb 0.00 -0.44 0.18 0.00 -1.78 0.00 0.00 34.13 32.09 2wwm s GLU 31 CO 0.00 -0.29 1.09 -2.14 -0.49 0.00 0.00 175.26 173.43 2wwm s PRO 32 N 1.90 0.59 -0.11 0.39 0.02 -1.26 -1.05 135.00 135.48 2wwm s PRO 32 Ca 0.01 1.14 -0.38 0.00 0.02 0.00 0.00 61.00 61.80 2wwm s PRO 32 Cb -0.12 -1.71 -0.16 0.00 0.02 0.00 0.00 34.50 32.54 2wwm s PRO 32 CO -0.03 -2.79 1.61 2.41 -0.33 0.00 0.00 177.00 177.87 2wwm n THR 33 N -4.30 0.21 -2.36 0.99 -1.04 -1.25 -4.79 114.28 101.74 2wwm n THR 33 Ca 0.08 -0.04 -0.37 0.00 -2.04 0.00 0.00 64.05 61.68 2wwm n THR 33 Cb 0.53 -1.17 -0.02 0.00 -1.82 0.00 0.00 70.33 67.86 2wwm n THR 33 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 2wwm s PRO 34 N 2.39 3.88 0.13 -2.82 0.02 -1.26 -4.87 135.00 132.46 2wwm s PRO 34 Ca 0.92 1.67 -0.30 0.00 0.02 0.00 0.00 61.00 63.30 2wwm s PRO 34 Cb -0.97 -2.42 -0.07 0.00 0.02 0.00 0.00 34.50 31.06 2wwm s PRO 34 CO 0.56 -0.43 1.09 -2.00 -0.33 0.00 0.00 177.00 175.90 2wwm s GLU 35 N -2.68 4.57 -0.18 5.54 2.12 0.43 -4.82 118.70 123.68 2wwm s GLU 35 Ca 0.62 1.67 -0.08 0.00 0.36 0.00 0.00 54.97 57.54 2wwm s GLU 35 Cb -0.26 -3.32 -0.04 0.00 0.26 0.00 0.00 34.13 30.77 2wwm s GLU 35 CO 0.31 0.01 0.08 0.08 -0.54 0.00 0.00 175.26 175.20 2wwm s VAL 36 N 0.18 4.94 -0.12 3.70 1.01 -1.26 -2.20 120.40 126.65 2wwm s VAL 36 Ca 0.51 0.02 0.02 0.00 0.00 0.00 0.00 61.98 62.53 2wwm s VAL 36 Cb -0.28 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2wwm s VAL 36 CO 0.32 0.46 -0.16 -0.89 0.00 0.00 0.00 175.10 174.84 2wwm s THR 37 N 0.31 1.59 -0.13 3.92 2.01 -0.50 -5.03 115.64 117.82 2wwm s THR 37 Ca 0.05 -0.69 -0.06 0.00 0.31 0.00 0.00 61.69 61.30 2wwm s THR 37 Cb -0.12 -1.46 -0.04 0.00 0.01 0.00 0.00 72.50 70.90 2wwm s THR 37 CO -0.00 0.46 0.10 0.26 -0.69 0.00 0.00 174.62 174.74 2wwm s TRP 38 N 1.06 3.43 0.01 4.92 0.52 -1.26 -1.39 118.94 126.23 2wwm s TRP 38 Ca -0.04 0.37 -0.07 0.00 0.02 0.00 0.00 56.10 56.38 2wwm s TRP 38 Cb -0.15 -1.94 -0.00 0.00 -1.15 0.00 0.00 33.47 30.23 2wwm s TRP 38 CO -0.03 0.56 0.13 -1.54 0.02 0.00 0.00 176.95 176.09 2wwm s SER 39 N -0.70 0.07 -0.10 2.95 1.04 -0.21 0.11 113.70 116.86 2wwm s SER 39 Ca 0.12 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.26 2wwm s SER 39 Cb -0.12 0.21 0.02 0.00 0.10 0.00 0.00 66.02 66.23 2wwm s SER 39 CO 0.03 -0.41 -0.09 0.00 0.98 0.00 0.00 173.24 173.75 2wwm n GLY 41 N 4.56 -0.45 2.75 0.00 0.00 -1.08 -2.21 105.19 108.76 2wwm n GLY 41 Ca -0.16 0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.96 2wwm n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wwm n GLY 42 N -1.58 0.80 3.26 -0.02 0.00 -1.26 -5.02 105.19 101.37 2wwm n GLY 42 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 2wwm n GLY 42 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wwm s ARG 43 N -0.07 3.19 0.45 1.61 0.52 -0.94 -5.06 118.95 118.66 2wwm s ARG 43 Ca 0.00 -0.76 -0.24 0.00 -0.52 0.00 0.00 55.73 54.21 2wwm s ARG 43 Cb 0.00 -2.59 -0.09 0.00 0.52 0.00 0.00 34.95 32.79 2wwm s ARG 43 CO 0.00 0.03 1.14 1.17 0.02 0.00 0.00 175.30 177.65 2wwm n LYS 44 N 4.02 1.56 -3.30 3.54 4.81 -1.26 -1.16 118.16 126.37 2wwm n LYS 44 Ca -0.19 0.56 -0.38 0.00 -0.87 0.00 0.00 58.31 57.43 2wwm n LYS 44 Cb 0.52 -2.24 -0.06 0.00 0.02 0.00 0.00 35.03 33.27 2wwm n LYS 44 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2wwm s ILE 45 N -1.27 5.18 -0.28 3.15 -1.09 0.30 -4.80 121.20 122.39 2wwm s ILE 45 Ca 0.64 0.97 -0.10 0.00 -2.23 0.00 0.00 60.65 59.93 2wwm s ILE 45 Cb -0.51 -3.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.50 2wwm s ILE 45 CO 0.55 0.31 0.16 -1.00 -1.23 0.00 0.00 174.94 173.74 2wwm s HIS 46 N 0.73 3.19 -0.80 3.97 3.76 -1.26 -4.65 115.29 120.23 2wwm s HIS 46 Ca 0.26 -0.03 -0.25 0.00 -0.15 0.00 0.00 55.06 54.88 2wwm s HIS 46 Cb -0.15 -2.35 -0.01 0.00 1.11 0.00 0.00 32.58 31.18 2wwm s HIS 46 CO 0.10 -0.22 1.69 0.45 -0.85 0.00 0.00 174.74 175.92 2wwm s SER 47 N 1.72 5.64 -0.22 1.40 0.15 -1.26 -4.80 113.70 116.33 2wwm s SER 47 Ca 0.07 -0.45 -0.09 0.00 0.70 0.00 0.00 55.95 56.18 2wwm s SER 47 Cb -0.16 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.56 2wwm s SER 47 CO 0.09 -2.22 0.11 -1.10 1.20 0.00 0.00 173.24 171.32 2wwm s GLN 48 N 6.39 3.97 0.61 5.44 -0.21 -1.14 -4.89 119.66 129.84 2wwm s GLN 48 Ca 0.58 -0.33 0.35 0.00 0.02 0.00 0.00 55.36 55.98 2wwm s GLN 48 Cb -0.08 -3.38 2.00 0.00 1.00 0.00 0.00 33.01 32.56 2wwm s GLN 48 CO 0.08 0.11 2.27 0.93 -2.12 0.00 0.00 175.29 176.56 2wwm h GLU 49 N 7.29 0.00 -2.55 2.91 5.08 -1.94 -3.03 114.58 122.35 2wwm h GLU 49 Ca -0.38 0.00 -0.73 0.00 -1.00 0.00 0.00 59.36 57.25 2wwm h GLU 49 Cb 1.17 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 30.09 2wwm h GLU 49 CO 0.66 0.02 0.32 1.04 -1.00 0.00 0.00 179.01 180.05 2wwm n GLN 50 N -3.50 4.00 -1.56 2.33 6.02 -1.26 -4.98 117.38 118.44 2wwm n GLN 50 Ca -0.03 -4.64 0.00 0.00 -0.01 0.00 0.00 57.00 52.32 2wwm n GLN 50 Cb 0.11 -2.41 0.00 0.00 1.02 0.00 0.00 30.24 28.96 2wwm n GLN 50 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wwm n GLY 51 N 0.81 0.78 0.02 1.08 0.00 -1.14 -5.05 105.19 101.68 2wwm n GLY 51 Ca 0.31 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.62 2wwm n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wwm n ARG 52 N 0.00 0.39 -3.89 1.61 1.74 -1.26 -4.89 116.66 110.35 2wwm n ARG 52 Ca 0.00 -0.08 -0.35 0.00 -0.77 0.00 0.00 57.85 56.65 2wwm n ARG 52 Cb 0.00 -1.55 -0.10 0.00 -1.02 0.00 0.00 32.46 29.78 2wwm n ARG 52 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2wwm s PHE 53 N -3.29 3.24 -0.03 -1.55 0.40 -1.26 -1.23 117.98 114.25 2wwm s PHE 53 Ca -0.00 0.03 0.01 0.00 -0.60 0.00 0.00 56.93 56.36 2wwm s PHE 53 Cb 0.14 -2.15 0.02 0.00 0.51 0.00 0.00 43.02 41.55 2wwm s PHE 53 CO 0.86 0.05 -0.01 -1.01 0.70 0.00 0.00 175.22 175.81 2wwm s HIS 54 N 0.72 0.41 -0.12 0.36 3.76 -0.47 -2.90 115.29 117.05 2wwm s HIS 54 Ca 0.04 -0.05 0.03 0.00 -0.15 0.00 0.00 55.06 54.93 2wwm s HIS 54 Cb -0.13 -0.44 0.01 0.00 1.11 0.00 0.00 32.58 33.13 2wwm s HIS 54 CO 0.02 -0.12 -0.21 0.42 -0.85 0.00 0.00 174.74 174.00 2wwm s ILE 55 N 0.83 1.91 -0.18 0.60 1.01 -1.26 -1.09 121.20 123.02 2wwm s ILE 55 Ca -0.09 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 59.66 2wwm s ILE 55 Cb -0.12 -1.69 0.01 0.00 0.01 0.00 0.00 42.46 40.67 2wwm s ILE 55 CO -0.01 0.52 -0.17 -1.61 0.00 0.00 0.00 174.94 173.67 2wwm s GLU 56 N 0.74 3.08 -0.09 2.79 2.02 -0.67 -4.98 118.70 121.60 2wwm s GLU 56 Ca -0.10 -0.79 0.04 0.00 0.02 0.00 0.00 54.97 54.15 2wwm s GLU 56 Cb -0.16 -2.64 -0.00 0.00 0.10 0.00 0.00 34.13 31.43 2wwm s GLU 56 CO 0.01 -0.17 -0.24 -0.80 0.02 0.00 0.00 175.26 174.09 2wwm s ASN 57 N 1.23 3.15 0.00 -0.19 0.01 -1.26 -0.64 114.94 117.24 2wwm s ASN 57 Ca 0.03 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 51.65 2wwm s ASN 57 Cb -0.14 -1.23 0.00 0.00 0.41 0.00 0.00 41.25 40.30 2wwm s ASN 57 CO -0.09 0.19 0.00 0.35 -1.51 0.00 0.00 177.10 176.04 2wwm n THR 58 N 3.31 0.00 0.10 1.60 -2.24 0.12 -4.99 114.28 112.17 2wwm n THR 58 Ca -0.18 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.63 2wwm n THR 58 Cb 0.53 -0.24 0.42 0.00 -2.10 0.00 0.00 70.33 68.93 2wwm n THR 58 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2wwm h ASP 59 N 0.00 0.28 0.00 3.42 5.19 -1.98 -3.34 116.42 119.99 2wwm h ASP 59 Ca 0.00 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2wwm h ASP 59 Cb 0.00 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 39.42 2wwm h ASP 59 CO 0.00 0.35 -0.48 -0.90 -3.12 0.00 0.00 179.24 175.09 2wwm n ASP 60 N -4.35 0.21 -3.68 6.45 5.68 -1.26 -4.78 116.55 114.82 2wwm n ASP 60 Ca 0.00 -2.08 -0.11 0.00 -0.50 0.00 0.00 54.79 52.09 2wwm n ASP 60 Cb 0.20 -0.22 -0.09 0.00 -1.14 0.00 0.00 41.12 39.87 2wwm n ASP 60 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2wwm s LEU 61 N -0.22 -0.27 -0.03 -2.12 2.96 -1.25 -1.80 118.68 115.95 2wwm s LEU 61 Ca 0.03 1.14 0.06 0.00 -0.22 0.00 0.00 54.13 55.15 2wwm s LEU 61 Cb 0.03 1.86 -0.01 0.00 0.50 0.00 0.00 46.19 48.57 2wwm s LEU 61 CO -0.00 -0.20 -0.22 0.28 -1.32 0.00 0.00 176.35 174.88 2wwm s THR 62 N 0.84 1.78 -0.09 3.68 -1.32 -0.26 0.12 115.64 120.39 2wwm s THR 62 Ca -0.04 -0.95 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 2wwm s THR 62 Cb -0.05 -1.49 0.01 0.00 -1.51 0.00 0.00 72.50 69.46 2wwm s THR 62 CO -0.07 0.50 -0.15 -0.89 -2.21 0.00 0.00 174.62 171.81 2wwm s THR 63 N -0.38 1.40 -0.23 5.08 2.01 0.18 -0.93 115.64 122.77 2wwm s THR 63 Ca 0.05 -0.61 -0.08 0.00 0.31 0.00 0.00 61.69 61.36 2wwm s THR 63 Cb -0.10 -1.28 -0.04 0.00 0.01 0.00 0.00 72.50 71.10 2wwm s THR 63 CO 0.00 0.42 0.09 -0.22 -0.69 0.00 0.00 174.62 174.22 2wwm s LEU 64 N 0.83 3.68 -0.18 4.42 2.96 -0.15 -1.67 118.68 128.57 2wwm s LEU 64 Ca -0.10 -0.07 -0.00 0.00 -0.22 0.00 0.00 54.13 53.74 2wwm s LEU 64 Cb -0.15 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.57 2wwm s LEU 64 CO 0.01 0.04 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.30 2wwm s ILE 65 N 1.19 2.51 -0.30 6.68 1.01 -0.25 -1.33 121.20 130.71 2wwm s ILE 65 Ca 0.05 -0.79 -0.05 0.00 0.00 0.00 0.00 60.65 59.86 2wwm s ILE 65 Cb -0.14 -2.08 0.03 0.00 0.01 0.00 0.00 42.46 40.27 2wwm s ILE 65 CO 0.04 0.51 0.05 -0.63 0.00 0.00 0.00 174.94 174.90 2wwm s ILE 66 N 1.23 3.54 0.37 2.92 1.01 -0.03 -1.37 121.20 128.87 2wwm s ILE 66 Ca 0.03 -0.99 -0.11 0.00 0.00 0.00 0.00 60.65 59.58 2wwm s ILE 66 Cb -0.14 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 39.36 2wwm s ILE 66 CO -0.07 0.00 0.74 -0.04 0.00 0.00 0.00 174.94 175.57 2wwm s MET 67 N 1.40 3.84 -1.14 2.79 -1.94 -0.37 -1.07 119.30 122.81 2wwm s MET 67 Ca -0.00 0.49 -0.25 0.00 -1.71 0.00 0.00 55.69 54.21 2wwm s MET 67 Cb -0.18 -2.43 0.02 0.00 2.01 0.00 0.00 34.83 34.25 2wwm s MET 67 CO 0.01 0.05 0.74 -3.47 -0.01 0.00 0.00 175.02 172.33 2wwm n ASP 68 N -0.95 -4.86 -4.70 3.03 2.03 -1.19 -4.74 116.55 105.16 2wwm n ASP 68 Ca 0.02 -1.12 -0.42 0.00 0.52 0.00 0.00 54.79 53.80 2wwm n ASP 68 Cb 0.54 -2.58 -0.03 0.00 -0.72 0.00 0.00 41.12 38.33 2wwm n ASP 68 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2wwm s VAL 69 N -3.45 2.52 0.22 5.18 1.01 -0.68 -4.62 120.40 120.59 2wwm s VAL 69 Ca 0.45 0.18 0.05 0.00 0.00 0.00 0.00 61.98 62.66 2wwm s VAL 69 Cb -0.20 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 2wwm s VAL 69 CO 0.91 0.01 0.28 -1.10 0.00 0.00 0.00 175.10 175.19 2wwm s GLN 70 N 2.13 3.22 0.55 2.72 -1.52 -1.26 0.06 119.66 125.56 2wwm s GLN 70 Ca 0.77 -0.84 0.24 0.00 -1.95 0.00 0.00 55.36 53.57 2wwm s GLN 70 Cb -0.45 -2.77 1.51 0.00 -0.22 0.00 0.00 33.01 31.08 2wwm s GLN 70 CO 0.34 0.44 2.14 -0.22 -0.25 0.00 0.00 175.29 177.73 2wwm h LYS 71 N 1.51 0.00 -0.00 2.91 1.63 -1.98 -1.30 116.57 119.34 2wwm h LYS 71 Ca -0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.30 2wwm h LYS 71 Cb 1.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.86 2wwm h LYS 71 CO 0.62 0.00 -0.09 0.00 -3.45 0.00 0.00 179.45 176.53 2wwm n GLN 72 N -4.17 0.86 0.21 1.90 0.00 -1.26 -3.37 117.38 111.55 2wwm n GLN 72 Ca 0.00 -0.32 0.11 0.00 0.00 0.00 0.00 57.00 56.79 2wwm n GLN 72 Cb 0.23 -1.49 0.25 0.00 0.00 0.00 0.00 30.24 29.23 2wwm n GLN 72 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.06 176.62 2wwm h ASP 73 N 0.77 0.00 -4.14 2.61 3.32 -1.63 -3.46 116.42 113.89 2wwm h ASP 73 Ca 0.00 0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.51 2wwm h ASP 73 Cb 0.34 0.00 0.15 0.00 0.22 0.00 0.00 39.33 40.05 2wwm h ASP 73 CO 0.00 0.13 0.45 -0.83 -1.72 0.00 0.00 179.24 177.27 2wwm s GLY 74 N -4.27 2.58 0.00 2.75 0.00 -1.22 -4.94 107.32 102.22 2wwm s GLY 74 Ca 0.05 1.02 0.00 0.00 0.00 0.00 0.00 44.72 45.79 2wwm s GLY 74 CO 0.66 1.44 0.00 0.61 0.00 0.00 0.00 173.10 175.81 2wwm n GLY 75 N 0.61 -0.09 3.45 0.20 0.00 -0.99 -5.04 105.19 103.33 2wwm n GLY 75 Ca 0.14 -1.56 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 2wwm n GLY 75 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wwm s LEU 76 N 0.00 4.35 -0.14 0.99 2.96 -1.26 -1.52 118.68 124.06 2wwm s LEU 76 Ca 0.00 -0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 53.25 2wwm s LEU 76 Cb 0.00 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.60 2wwm s LEU 76 CO 0.00 -0.25 0.10 -0.31 -1.32 0.00 0.00 176.35 174.58 2wwm s TYR 77 N 1.63 3.45 -0.15 5.38 1.51 -0.27 -2.65 117.35 126.26 2wwm s TYR 77 Ca 0.05 0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 56.48 2wwm s TYR 77 Cb -0.18 -1.97 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2wwm s TYR 77 CO 0.08 0.54 -0.14 0.99 -1.11 0.00 0.00 175.55 175.90 2wwm s THR 78 N -0.59 2.81 -0.25 -0.71 2.01 0.24 -1.31 115.64 117.85 2wwm s THR 78 Ca 0.12 -0.73 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 2wwm s THR 78 Cb -0.12 -2.19 -0.04 0.00 0.01 0.00 0.00 72.50 70.16 2wwm s THR 78 CO 0.02 0.51 0.34 -0.22 -0.69 0.00 0.00 174.62 174.59 2wwm s LEU 79 N 0.69 4.08 -0.02 4.42 2.96 -0.12 -1.05 118.68 129.64 2wwm s LEU 79 Ca -0.07 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 2wwm s LEU 79 Cb -0.16 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.13 2wwm s LEU 79 CO 0.02 -0.12 -0.18 -0.94 -1.32 0.00 0.00 176.35 173.81 2wwm s SER 80 N 1.42 2.13 0.06 3.68 1.04 -0.49 -1.51 113.70 120.03 2wwm s SER 80 Ca 0.15 -0.33 0.08 0.00 0.48 0.00 0.00 55.95 56.33 2wwm s SER 80 Cb -0.15 -0.30 -0.03 0.00 0.10 0.00 0.00 66.02 65.63 2wwm s SER 80 CO 0.09 0.21 -0.22 -0.76 0.98 0.00 0.00 173.24 173.54 2wwm s LEU 81 N -0.34 2.43 -0.11 2.42 1.43 0.32 -1.40 118.68 123.43 2wwm s LEU 81 Ca 0.05 -0.54 -0.06 0.00 -1.03 0.00 0.00 54.13 52.56 2wwm s LEU 81 Cb -0.08 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.78 2wwm s LEU 81 CO -0.00 0.24 0.25 -0.83 0.23 0.00 0.00 176.35 176.24 2wwm s GLY 82 N -1.52 -0.15 0.00 -3.19 0.00 -0.94 -2.08 107.32 99.44 2wwm s GLY 82 Ca 0.14 0.99 0.00 0.00 0.00 0.00 0.00 44.72 45.85 2wwm s GLY 82 CO 0.05 1.20 0.00 1.16 0.00 0.00 0.00 173.10 175.51 2wwm n ASN 83 N 4.09 0.86 0.00 1.64 0.23 -0.94 -0.43 115.26 120.71 2wwm n ASN 83 Ca -0.24 -1.00 0.10 0.00 -0.53 0.00 0.00 54.58 52.91 2wwm n ASN 83 Cb 0.54 0.00 0.56 0.00 -2.08 0.00 0.00 39.78 38.80 2wwm n ASN 83 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2wwm n GLU 84 N 0.00 0.52 0.00 -3.83 4.71 -1.26 -3.10 120.64 117.68 2wwm n GLU 84 Ca 0.00 0.03 0.00 0.00 -0.01 0.00 0.00 57.16 57.18 2wwm n GLU 84 Cb 0.00 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 28.93 2wwm n GLU 84 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2wwm n PHE 85 N -1.09 0.00 -2.52 -0.32 3.72 -1.26 -5.11 117.46 110.88 2wwm n PHE 85 Ca 0.13 -0.18 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 2wwm n PHE 85 Cb 0.10 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 2wwm n PHE 85 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2wwm n GLY 86 N -0.18 -0.32 3.39 1.37 0.00 -1.18 -4.57 105.19 103.70 2wwm n GLY 86 Ca 0.00 -1.45 -0.10 0.00 0.00 0.00 0.00 46.02 44.47 2wwm n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wwm s SER 87 N -4.00 0.03 0.07 1.61 1.04 -1.26 -2.22 113.70 108.97 2wwm s SER 87 Ca 0.00 -1.03 -0.18 0.00 0.48 0.00 0.00 55.95 55.22 2wwm s SER 87 Cb 0.00 0.47 0.04 0.00 0.10 0.00 0.00 66.02 66.63 2wwm s SER 87 CO 0.00 -0.97 0.43 -0.62 0.98 0.00 0.00 173.24 173.06 2wwm s ASP 88 N -3.04 -0.29 0.01 7.02 2.15 -0.88 -4.78 116.67 116.86 2wwm s ASP 88 Ca 0.25 -0.07 -0.15 0.00 0.43 0.00 0.00 52.55 53.00 2wwm s ASP 88 Cb 0.03 0.45 0.02 0.00 -0.30 0.00 0.00 42.92 43.12 2wwm s ASP 88 CO 0.06 -0.73 0.33 -0.44 -0.17 0.00 0.00 175.17 174.22 2wwm s SER 89 N -2.26 -0.19 0.00 -0.34 0.01 -1.26 -0.52 113.70 109.14 2wwm s SER 89 Ca -0.03 -0.01 -0.11 0.00 1.31 0.00 0.00 55.95 57.12 2wwm s SER 89 Cb 0.00 0.35 0.01 0.00 0.21 0.00 0.00 66.02 66.59 2wwm s SER 89 CO -0.05 -0.54 0.22 0.00 0.41 0.00 0.00 173.24 173.28 2wwm s ALA 90 N -1.89 -0.52 0.06 1.44 0.00 -0.57 -5.01 121.76 115.26 2wwm s ALA 90 Ca -0.09 0.04 0.08 0.00 0.00 0.00 0.00 51.96 51.99 2wwm s ALA 90 Cb -0.03 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.18 2wwm s ALA 90 CO 0.01 -0.25 -0.22 0.95 0.00 0.00 0.00 175.76 176.25 2wwm s THR 91 N -1.50 2.51 -0.03 0.00 -4.23 -1.26 -0.95 115.64 110.18 2wwm s THR 91 Ca -0.13 -1.34 0.04 0.00 -1.18 0.00 0.00 61.69 59.08 2wwm s THR 91 Cb -0.06 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.74 2wwm s THR 91 CO 0.02 0.31 -0.14 0.54 -0.54 0.00 0.00 174.62 174.81 2wwm s VAL 92 N -0.91 1.16 -0.42 2.29 0.11 -0.43 -4.68 120.40 117.53 2wwm s VAL 92 Ca 0.14 -0.59 -0.19 0.00 -2.93 0.00 0.00 61.98 58.41 2wwm s VAL 92 Cb -0.10 -1.00 0.02 0.00 -1.53 0.00 0.00 36.38 33.77 2wwm s VAL 92 CO 0.04 0.34 0.54 0.21 -3.33 0.00 0.00 175.10 172.90 2wwm s ASN 93 N -0.06 6.27 -0.34 3.54 3.84 -0.13 -1.11 114.94 126.94 2wwm s ASN 93 Ca -0.00 -0.43 -0.17 0.00 0.21 0.00 0.00 52.86 52.46 2wwm s ASN 93 Cb -0.09 -2.27 -0.01 0.00 -0.55 0.00 0.00 41.25 38.33 2wwm s ASN 93 CO 0.01 -0.66 0.48 -0.63 -2.79 0.00 0.00 177.10 173.51 2wwm s ILE 94 N 2.49 5.06 -0.15 -5.21 1.01 -0.58 -1.18 121.20 122.64 2wwm s ILE 94 Ca 0.18 0.31 -0.06 0.00 0.00 0.00 0.00 60.65 61.08 2wwm s ILE 94 Cb -0.15 -3.92 -0.04 0.00 0.01 0.00 0.00 42.46 38.36 2wwm s ILE 94 CO 0.16 -0.16 0.07 -1.00 0.00 0.00 0.00 174.94 174.00 2wwm s HIS 95 N 2.30 3.31 -0.21 3.97 3.76 0.10 -2.34 115.29 126.19 2wwm s HIS 95 Ca 0.17 0.21 -0.11 0.00 -0.15 0.00 0.00 55.06 55.18 2wwm s HIS 95 Cb -0.16 -1.98 -0.05 0.00 1.11 0.00 0.00 32.58 31.50 2wwm s HIS 95 CO 0.13 0.36 0.18 0.42 -0.85 0.00 0.00 174.74 174.98 2wwm s ILE 96 N -0.24 5.37 -2.24 0.60 -1.09 -1.26 -0.96 121.20 121.37 2wwm s ILE 96 Ca 0.08 0.27 0.30 0.00 -2.23 0.00 0.00 60.65 59.08 2wwm s ILE 96 Cb -0.12 -3.52 0.74 0.00 -1.58 0.00 0.00 42.46 37.98 2wwm s ILE 96 CO 0.01 0.39 2.00 0.54 -1.23 0.00 0.00 174.94 176.65