#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wk2 s ARG 3 N 0.00 3.85 0.31 5.31 3.00 -1.26 -4.70 118.95 125.46 1wk2 s ARG 3 Ca 0.00 1.57 -0.14 0.00 0.00 0.00 0.00 55.73 57.16 1wk2 s ARG 3 Cb 0.00 -2.32 -0.08 0.00 0.00 0.00 0.00 34.95 32.54 1wk2 s ARG 3 CO 0.00 -0.42 0.70 -1.25 0.00 0.00 0.00 175.30 174.32 1wk2 s PRO 4 N -2.83 3.95 -0.01 3.54 0.04 -1.26 -4.88 135.00 133.54 1wk2 s PRO 4 Ca 0.64 0.57 0.22 0.00 0.04 0.00 0.00 61.00 62.46 1wk2 s PRO 4 Cb -0.23 -2.47 -0.27 0.00 0.04 0.00 0.00 34.50 31.56 1wk2 s PRO 4 CO 0.28 0.18 0.71 1.63 0.04 0.00 0.00 177.00 179.83 1wk2 n LYS 5 N -0.37 0.32 -4.60 4.56 4.76 -1.26 -4.87 118.16 116.68 1wk2 n LYS 5 Ca 0.03 -0.09 -0.23 0.00 -2.87 0.00 0.00 58.31 55.15 1wk2 n LYS 5 Cb 0.53 -1.51 -0.15 0.00 -1.84 0.00 0.00 35.03 32.06 1wk2 n LYS 5 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wk2 s LEU 6 N -3.74 2.08 0.13 -0.35 1.43 -1.26 -5.07 118.68 111.91 1wk2 s LEU 6 Ca 0.00 -0.35 0.08 0.00 -1.03 0.00 0.00 54.13 52.83 1wk2 s LEU 6 Cb 0.15 -0.75 -0.04 0.00 0.03 0.00 0.00 46.19 45.58 1wk2 s LEU 6 CO 0.89 0.14 -0.19 -0.83 0.23 0.00 0.00 176.35 176.59 1wk2 s GLY 7 N -0.65 1.27 -0.16 -3.19 0.00 -1.26 -0.96 107.32 102.36 1wk2 s GLY 7 Ca 0.05 -1.34 -0.02 0.00 0.00 0.00 0.00 44.72 43.41 1wk2 s GLY 7 CO 0.00 -1.37 -0.08 -2.27 0.00 0.00 0.00 173.10 169.38 1wk2 s LEU 8 N -2.27 2.92 0.06 0.66 2.96 0.45 -4.90 118.68 118.55 1wk2 s LEU 8 Ca 0.10 -0.29 -0.31 0.00 -0.22 0.00 0.00 54.13 53.42 1wk2 s LEU 8 Cb -0.08 -1.70 -0.06 0.00 0.50 0.00 0.00 46.19 44.86 1wk2 s LEU 8 CO 0.05 0.12 1.22 -0.63 -1.32 0.00 0.00 176.35 175.78 1wk2 s ILE 9 N 0.67 3.98 -0.03 6.68 1.09 -1.25 -1.15 121.20 131.19 1wk2 s ILE 9 Ca -0.04 1.42 0.00 0.00 -1.10 0.00 0.00 60.65 60.93 1wk2 s ILE 9 Cb -0.15 -3.91 0.03 0.00 -1.06 0.00 0.00 42.46 37.37 1wk2 s ILE 9 CO 0.02 0.10 0.01 -0.69 -0.10 0.00 0.00 174.94 174.29 1wk2 s VAL 10 N 1.15 0.09 0.51 2.92 1.01 0.23 -4.92 120.40 121.38 1wk2 s VAL 10 Ca 0.59 0.13 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 1wk2 s VAL 10 Cb -0.30 -0.20 -0.07 0.00 0.00 0.00 0.00 36.38 35.81 1wk2 s VAL 10 CO 0.29 0.12 0.96 -0.13 0.00 0.00 0.00 175.10 176.34 1wk2 s ARG 11 N 1.02 3.86 0.58 2.72 1.81 -1.26 -4.22 118.95 123.46 1wk2 s ARG 11 Ca -0.10 0.84 -0.15 0.00 -1.72 0.00 0.00 55.73 54.60 1wk2 s ARG 11 Cb -0.13 -2.17 -0.05 0.00 -0.45 0.00 0.00 34.95 32.15 1wk2 s ARG 11 CO -0.02 -0.28 1.03 -1.21 -0.68 0.00 0.00 175.30 174.14 1wk2 s GLU 12 N -4.21 3.53 0.08 3.54 0.41 -1.26 -1.87 118.70 118.92 1wk2 s GLU 12 Ca 0.57 1.04 0.26 0.00 -0.41 0.00 0.00 54.97 56.43 1wk2 s GLU 12 Cb -0.10 -2.07 1.03 0.00 -1.78 0.00 0.00 34.13 31.20 1wk2 s GLU 12 CO 0.35 -0.62 1.82 -0.35 -0.49 0.00 0.00 175.26 175.96 1wk2 n PRO 13 N -2.07 0.09 -0.14 0.39 -0.04 -1.26 -4.87 135.00 127.10 1wk2 n PRO 13 Ca 0.08 0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1wk2 n PRO 13 Cb 0.53 -1.61 0.02 0.00 -0.04 0.00 0.00 33.50 32.41 1wk2 n PRO 13 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 1wk2 h TYR 14 N 0.00 -0.27 -0.20 0.54 0.05 -1.83 -0.49 116.97 114.77 1wk2 h TYR 14 Ca 0.00 0.04 0.05 0.00 0.05 0.00 0.00 58.73 58.87 1wk2 h TYR 14 Cb 0.53 0.19 -0.07 0.00 1.01 0.00 0.00 36.73 38.39 1wk2 h TYR 14 CO 0.00 -0.21 -0.39 0.00 -1.05 0.00 0.00 178.16 176.51 1wk2 h ALA 15 N 1.42 -0.49 -0.25 3.88 0.00 -1.58 0.33 119.26 122.58 1wk2 h ALA 15 Ca 0.22 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1wk2 h ALA 15 Cb 0.35 0.76 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 1wk2 h ALA 15 CO -0.47 -0.87 0.05 0.77 0.00 0.00 0.00 179.25 178.73 1wk2 h SER 16 N -0.43 0.02 -0.62 0.00 0.02 -1.75 -1.37 113.55 109.42 1wk2 h SER 16 Ca 0.10 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1wk2 h SER 16 Cb 0.60 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 1wk2 h SER 16 CO -0.43 0.05 0.41 -0.07 -1.14 0.00 0.00 176.83 175.65 1wk2 h LEU 17 N 0.15 0.52 0.45 5.07 3.38 -0.34 -0.49 115.31 124.05 1wk2 h LEU 17 Ca 0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 1wk2 h LEU 17 Cb 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1wk2 h LEU 17 CO -0.14 0.34 -0.22 0.40 0.09 0.00 0.00 178.44 178.91 1wk2 h ILE 18 N 0.59 0.28 0.00 1.22 2.04 0.65 0.19 117.51 122.49 1wk2 h ILE 18 Ca 0.27 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1wk2 h ILE 18 Cb 0.30 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1wk2 h ILE 18 CO -0.08 0.06 0.00 1.33 0.00 0.00 0.00 178.15 179.45 1wk2 n VAL 19 N -5.20 1.06 0.49 1.67 0.24 -0.62 -1.13 118.33 114.85 1wk2 n VAL 19 Ca -0.09 0.43 0.11 0.00 -2.04 0.00 0.00 64.34 62.75 1wk2 n VAL 19 Cb 0.29 -1.37 0.25 0.00 -1.47 0.00 0.00 33.84 31.54 1wk2 n VAL 19 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1wk2 n ASP 20 N -2.06 3.07 -0.17 -1.34 8.00 -0.22 -1.87 116.55 121.96 1wk2 n ASP 20 Ca 0.01 -1.94 -0.02 0.00 0.71 0.00 0.00 54.79 53.55 1wk2 n ASP 20 Cb 0.13 -0.23 -0.01 0.00 -0.02 0.00 0.00 41.12 40.99 1wk2 n ASP 20 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1wk2 n GLY 21 N 1.43 0.56 0.10 0.44 0.00 -0.28 -4.92 105.19 102.52 1wk2 n GLY 21 Ca 0.19 -0.45 0.10 0.00 0.00 0.00 0.00 46.02 45.85 1wk2 n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wk2 n ARG 22 N -2.54 0.61 -4.07 1.61 1.74 0.55 -4.81 116.66 109.76 1wk2 n ARG 22 Ca -0.02 0.12 -0.32 0.00 -0.77 0.00 0.00 57.85 56.86 1wk2 n ARG 22 Cb 0.12 -1.80 -0.16 0.00 -1.02 0.00 0.00 32.46 29.60 1wk2 n ARG 22 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 1wk2 s LYS 23 N -3.31 2.61 0.00 5.56 2.20 -0.48 -4.96 119.74 121.36 1wk2 s LYS 23 Ca -0.01 -0.76 0.14 0.00 -0.36 0.00 0.00 55.97 54.98 1wk2 s LYS 23 Cb 0.10 -2.40 -0.08 0.00 -1.51 0.00 0.00 37.83 33.94 1wk2 s LYS 23 CO 0.80 -0.26 0.67 1.33 -0.36 0.00 0.00 175.35 177.54 1wk2 n VAL 24 N 4.67 0.00 -3.91 4.02 0.24 -1.26 -4.47 118.33 117.61 1wk2 n VAL 24 Ca -0.19 -0.26 -0.30 0.00 -2.04 0.00 0.00 64.34 61.55 1wk2 n VAL 24 Cb 0.49 1.08 -0.15 0.00 -1.47 0.00 0.00 33.84 33.79 1wk2 n VAL 24 CO 0.00 0.00 0.00 0.26 -2.14 0.00 0.00 176.83 174.95 1wk2 s TRP 25 N -2.02 2.54 -0.17 6.34 0.52 -1.26 -0.62 118.94 124.27 1wk2 s TRP 25 Ca 0.08 -2.01 -0.20 0.00 0.02 0.00 0.00 56.10 53.99 1wk2 s TRP 25 Cb 0.11 -1.89 -0.03 0.00 -1.15 0.00 0.00 33.47 30.51 1wk2 s TRP 25 CO 0.46 -0.83 0.56 -2.00 0.02 0.00 0.00 176.95 175.16 1wk2 s GLU 26 N 1.34 4.26 -0.00 4.98 2.56 0.27 -4.85 118.70 127.25 1wk2 s GLU 26 Ca 0.01 0.53 -0.22 0.00 0.00 0.00 0.00 54.97 55.29 1wk2 s GLU 26 Cb -0.19 -3.53 -0.05 0.00 2.00 0.00 0.00 34.13 32.37 1wk2 s GLU 26 CO -0.10 -0.09 0.65 0.42 -0.56 0.00 0.00 175.26 175.58 1wk2 s ILE 27 N 1.42 4.89 0.05 -3.70 -1.09 -1.26 0.27 121.20 121.77 1wk2 s ILE 27 Ca 0.27 1.37 -0.05 0.00 -2.23 0.00 0.00 60.65 60.02 1wk2 s ILE 27 Cb -0.16 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.71 1wk2 s ILE 27 CO 0.11 0.38 0.08 -0.13 -1.23 0.00 0.00 174.94 174.14 1wk2 s ARG 28 N 0.02 0.62 0.00 2.79 1.81 0.73 -4.96 118.95 119.97 1wk2 s ARG 28 Ca 0.34 -0.88 0.28 0.00 -1.72 0.00 0.00 55.73 53.75 1wk2 s ARG 28 Cb -0.19 0.24 1.10 0.00 -0.45 0.00 0.00 34.95 35.65 1wk2 s ARG 28 CO 0.19 -0.16 1.79 0.54 -0.68 0.00 0.00 175.30 176.98 1wk2 n ARG 29 N 0.53 0.61 -4.12 3.54 1.74 -1.26 0.11 116.66 117.81 1wk2 n ARG 29 Ca -0.17 -0.24 -0.12 0.00 -0.77 0.00 0.00 57.85 56.54 1wk2 n ARG 29 Cb 0.59 -1.50 -0.11 0.00 -1.02 0.00 0.00 32.46 30.43 1wk2 n ARG 29 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1wk2 s ARG 30 N -2.56 0.68 0.66 5.56 1.81 -1.26 -4.78 118.95 119.07 1wk2 s ARG 30 Ca 0.26 -1.01 -0.06 0.00 -1.72 0.00 0.00 55.73 53.19 1wk2 s ARG 30 Cb 0.20 -0.30 0.14 0.00 -0.45 0.00 0.00 34.95 34.53 1wk2 s ARG 30 CO 0.50 0.03 0.90 1.63 -0.68 0.00 0.00 175.30 177.69 1wk2 n LYS 31 N 0.83 -0.46 -3.50 3.54 5.02 -1.26 -4.85 118.16 117.47 1wk2 n LYS 31 Ca -0.18 -1.86 -0.15 0.00 -2.02 0.00 0.00 58.31 54.09 1wk2 n LYS 31 Cb 0.57 -0.78 -0.05 0.00 -0.02 0.00 0.00 35.03 34.75 1wk2 n LYS 31 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1wk2 s THR 32 N -2.79 0.00 -0.43 -0.18 -1.32 -1.26 -4.89 115.64 104.77 1wk2 s THR 32 Ca 0.55 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.18 1wk2 s THR 32 Cb -0.02 -1.00 0.57 0.00 -1.51 0.00 0.00 72.50 70.53 1wk2 s THR 32 CO 0.37 0.00 1.48 -1.14 -2.21 0.00 0.00 174.62 173.12 1wk2 n ARG 33 N 0.53 3.35 -2.34 7.08 0.63 -1.26 -4.88 116.66 119.76 1wk2 n ARG 33 Ca -0.17 -2.78 -0.41 0.00 -0.92 0.00 0.00 57.85 53.58 1wk2 n ARG 33 Cb 0.59 -1.83 -0.03 0.00 0.45 0.00 0.00 32.46 31.64 1wk2 n ARG 33 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1wk2 s HIS 34 N -2.40 3.38 -0.01 -0.14 2.46 -1.26 -5.03 115.29 112.30 1wk2 s HIS 34 Ca 0.42 1.42 0.02 0.00 0.47 0.00 0.00 55.06 57.40 1wk2 s HIS 34 Cb 0.32 -3.46 -0.00 0.00 -0.13 0.00 0.00 32.58 29.30 1wk2 s HIS 34 CO 0.13 -1.29 -0.07 1.03 -2.47 0.00 0.00 174.74 172.07 1wk2 s ARG 35 N -0.52 0.55 0.00 2.88 1.81 -1.26 -4.82 118.95 117.59 1wk2 s ARG 35 Ca 0.52 -0.24 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1wk2 s ARG 35 Cb -0.34 -0.53 0.00 0.00 -0.45 0.00 0.00 34.95 33.63 1wk2 s ARG 35 CO 0.39 0.14 0.00 0.41 -0.68 0.00 0.00 175.30 175.56 1wk2 n GLY 36 N 2.94 -1.27 3.58 -3.53 0.00 0.42 -4.91 105.19 102.42 1wk2 n GLY 36 Ca -0.13 -2.10 -0.56 0.00 0.00 0.00 0.00 46.02 43.22 1wk2 n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wk2 n PRO 37 N 0.00 0.64 -3.71 1.61 -0.02 -1.26 -1.19 135.00 131.06 1wk2 n PRO 37 Ca 0.00 0.23 -0.28 0.00 -2.02 0.00 0.00 63.50 61.44 1wk2 n PRO 37 Cb 0.00 -1.82 -0.16 0.00 -0.02 0.00 0.00 33.50 31.50 1wk2 n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1wk2 s LEU 38 N 0.83 1.11 0.55 2.45 2.96 0.14 -4.60 118.68 122.12 1wk2 s LEU 38 Ca 0.90 -0.85 -0.20 0.00 -0.22 0.00 0.00 54.13 53.76 1wk2 s LEU 38 Cb -1.12 -0.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.96 1wk2 s LEU 38 CO 0.55 -0.32 1.21 -0.83 -1.32 0.00 0.00 176.35 175.65 1wk2 s GLY 39 N 1.89 2.76 -0.34 7.98 0.00 -0.13 -1.64 107.32 117.84 1wk2 s GLY 39 Ca 0.00 1.03 -0.07 0.00 0.00 0.00 0.00 44.72 45.68 1wk2 s GLY 39 CO -0.10 1.45 0.11 -0.42 0.00 0.00 0.00 173.10 174.14 1wk2 s ILE 40 N -1.55 3.84 -0.21 0.90 -1.09 -0.44 -0.42 121.20 122.24 1wk2 s ILE 40 Ca 0.73 -1.11 -0.05 0.00 -2.23 0.00 0.00 60.65 57.99 1wk2 s ILE 40 Cb -0.31 -3.17 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1wk2 s ILE 40 CO 0.35 -0.18 -0.01 -0.69 -1.23 0.00 0.00 174.94 173.19 1wk2 s VAL 41 N 1.41 3.85 -0.02 2.92 1.01 -0.30 -2.22 120.40 127.05 1wk2 s VAL 41 Ca -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1wk2 s VAL 41 Cb -0.19 -2.74 0.01 0.00 0.00 0.00 0.00 36.38 33.45 1wk2 s VAL 41 CO 0.03 0.42 0.06 -0.55 0.00 0.00 0.00 175.10 175.06 1wk2 s SER 42 N 1.11 -0.06 -1.55 3.32 0.15 -0.43 -0.60 113.70 115.65 1wk2 s SER 42 Ca 0.02 0.12 -0.14 0.00 0.70 0.00 0.00 55.95 56.65 1wk2 s SER 42 Cb -0.14 0.11 0.09 0.00 -1.71 0.00 0.00 66.02 64.37 1wk2 s SER 42 CO 0.01 -0.02 0.94 0.61 1.20 0.00 0.00 173.24 175.98 1wk2 n GLY 43 N 3.09 -0.48 2.39 9.45 0.00 -1.26 -1.32 105.19 117.06 1wk2 n GLY 43 Ca -0.13 0.18 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1wk2 n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wk2 n GLY 44 N -1.66 1.15 2.98 -0.02 0.00 -1.26 -5.00 105.19 101.38 1wk2 n GLY 44 Ca 0.03 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.56 1wk2 n GLY 44 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wk2 s ARG 45 N -3.51 0.44 -0.55 1.61 0.52 -0.44 -3.24 118.95 113.78 1wk2 s ARG 45 Ca 0.00 -0.30 -0.22 0.00 -0.52 0.00 0.00 55.73 54.69 1wk2 s ARG 45 Cb 0.00 -0.39 0.06 0.00 0.52 0.00 0.00 34.95 35.14 1wk2 s ARG 45 CO 0.00 0.10 0.80 -1.17 0.02 0.00 0.00 175.30 175.05 1wk2 s LEU 46 N -0.41 4.57 0.06 2.53 2.96 0.19 -1.31 118.68 127.27 1wk2 s LEU 46 Ca -0.00 -0.74 0.23 0.00 -0.22 0.00 0.00 54.13 53.40 1wk2 s LEU 46 Cb -0.04 -2.58 -0.06 0.00 0.50 0.00 0.00 46.19 44.01 1wk2 s LEU 46 CO -0.00 -1.12 0.90 2.30 -1.32 0.00 0.00 176.35 177.11 1wk2 n ILE 47 N 5.88 0.22 -1.76 6.68 -6.64 -0.94 -0.44 119.36 122.36 1wk2 n ILE 47 Ca -0.03 -0.35 0.00 0.00 -1.77 0.00 0.00 62.75 60.60 1wk2 n ILE 47 Cb 0.46 0.08 0.00 0.00 -1.44 0.00 0.00 39.64 38.74 1wk2 n ILE 47 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1wk2 n GLY 48 N 1.31 -0.65 3.75 3.28 0.00 -1.25 0.05 105.19 111.69 1wk2 n GLY 48 Ca 0.00 -0.52 -0.08 0.00 0.00 0.00 0.00 46.02 45.42 1wk2 n GLY 48 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1wk2 s GLN 49 N -0.31 1.68 0.15 1.61 -2.07 -0.65 -1.33 119.66 118.74 1wk2 s GLN 49 Ca 0.00 -1.02 -0.12 0.00 -1.82 0.00 0.00 55.36 52.40 1wk2 s GLN 49 Cb 0.00 0.57 0.01 0.00 -1.09 0.00 0.00 33.01 32.50 1wk2 s GLN 49 CO 0.00 -0.75 0.33 0.00 -1.32 0.00 0.00 175.29 173.55 1wk2 s ALA 50 N -3.93 -0.38 -0.26 2.60 0.00 -0.65 -1.77 121.76 117.37 1wk2 s ALA 50 Ca 0.13 -0.57 -0.09 0.00 0.00 0.00 0.00 51.96 51.44 1wk2 s ALA 50 Cb -0.04 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.80 1wk2 s ALA 50 CO 0.06 -0.65 0.12 -0.51 0.00 0.00 0.00 175.76 174.77 1wk2 s ASP 51 N -2.90 5.47 -0.57 0.00 1.01 0.48 0.28 116.67 120.44 1wk2 s ASP 51 Ca 0.11 -0.13 -0.27 0.00 0.71 0.00 0.00 52.55 52.97 1wk2 s ASP 51 Cb 0.02 -2.00 0.03 0.00 1.01 0.00 0.00 42.92 41.99 1wk2 s ASP 51 CO -0.04 -0.04 1.12 -0.22 0.21 0.00 0.00 175.17 176.19 1wk2 s LEU 52 N 1.67 3.65 -0.11 1.23 2.96 -0.34 -0.89 118.68 126.85 1wk2 s LEU 52 Ca 0.07 -0.05 0.20 0.00 -0.22 0.00 0.00 54.13 54.13 1wk2 s LEU 52 Cb -0.15 -3.05 -0.29 0.00 0.50 0.00 0.00 46.19 43.19 1wk2 s LEU 52 CO 0.06 -1.41 0.28 1.33 -1.32 0.00 0.00 176.35 175.30 1wk2 n VAL 53 N 6.52 0.63 -3.80 1.68 0.24 -0.70 -0.44 118.33 122.45 1wk2 n VAL 53 Ca 0.06 -0.66 -0.03 0.00 -2.04 0.00 0.00 64.34 61.68 1wk2 n VAL 53 Cb 0.49 -0.21 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 1wk2 n VAL 53 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wk2 s GLY 54 N -4.93 -0.08 0.30 7.63 0.00 -1.25 -4.97 107.32 104.02 1wk2 s GLY 54 Ca -0.09 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 44.64 1wk2 s GLY 54 CO 0.86 1.16 0.20 -0.62 0.00 0.00 0.00 173.10 174.70 1wk2 n VAL 55 N -0.58 0.00 -1.53 1.40 0.31 -1.26 -1.61 118.33 115.06 1wk2 n VAL 55 Ca -0.05 -2.02 -0.21 0.00 -0.01 0.00 0.00 64.34 62.05 1wk2 n VAL 55 Cb 0.60 0.93 -0.14 0.00 -0.91 0.00 0.00 33.84 34.32 1wk2 n VAL 55 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 1wk2 n PRO 86 N -0.60 0.31 -4.11 5.55 -0.04 -1.26 -4.58 135.00 130.26 1wk2 n PRO 86 Ca 0.03 -0.35 -0.10 0.00 -0.04 0.00 0.00 63.50 63.04 1wk2 n PRO 86 Cb 0.51 -2.34 -0.10 0.00 -0.04 0.00 0.00 33.50 31.52 1wk2 n PRO 86 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1wk2 s LEU 87 N 7.79 2.45 0.14 1.53 1.43 -1.26 -4.73 118.68 126.02 1wk2 s LEU 87 Ca 1.14 -0.90 0.08 0.00 -1.03 0.00 0.00 54.13 53.42 1wk2 s LEU 87 Cb -0.54 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.66 1wk2 s LEU 87 CO 0.34 -0.46 -0.18 -0.31 0.23 0.00 0.00 176.35 175.97 1wk2 s TYR 88 N -3.22 1.71 -0.33 0.29 2.02 0.31 -4.97 117.35 113.16 1wk2 s TYR 88 Ca 0.05 -0.47 0.01 0.00 -0.37 0.00 0.00 57.07 56.29 1wk2 s TYR 88 Cb 0.03 -0.89 0.08 0.00 -0.40 0.00 0.00 41.96 40.78 1wk2 s TYR 88 CO -0.05 0.25 0.04 0.00 -1.57 0.00 0.00 175.55 174.21 1wk2 s ALA 89 N -1.79 2.86 -0.00 3.71 0.00 -1.26 -0.19 121.76 125.08 1wk2 s ALA 89 Ca 0.11 -2.18 -0.30 0.00 0.00 0.00 0.00 51.96 49.59 1wk2 s ALA 89 Cb -0.07 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 21.03 1wk2 s ALA 89 CO 0.05 -1.50 1.23 -1.58 0.00 0.00 0.00 175.76 173.96 1wk2 s TRP 90 N 1.08 3.24 -0.30 0.00 0.52 0.14 -4.56 118.94 119.06 1wk2 s TRP 90 Ca 0.02 1.19 -0.18 0.00 0.02 0.00 0.00 56.10 57.15 1wk2 s TRP 90 Cb -0.20 -3.46 -0.02 0.00 -1.15 0.00 0.00 33.47 28.65 1wk2 s TRP 90 CO -0.05 -1.46 0.52 0.08 0.02 0.00 0.00 176.95 176.05 1wk2 s VAL 91 N 1.80 5.04 -0.08 4.03 1.01 -0.63 -0.56 120.40 131.00 1wk2 s VAL 91 Ca 0.58 0.64 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1wk2 s VAL 91 Cb -0.27 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 1wk2 s VAL 91 CO 0.25 -0.05 -0.01 -0.76 0.00 0.00 0.00 175.10 174.53 1wk2 s LEU 92 N 2.36 3.54 0.11 3.92 1.43 0.20 -1.73 118.68 128.52 1wk2 s LEU 92 Ca 0.20 0.13 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1wk2 s LEU 92 Cb -0.15 -1.81 -0.04 0.00 0.03 0.00 0.00 46.19 44.22 1wk2 s LEU 92 CO 0.11 0.38 -0.09 -1.61 0.23 0.00 0.00 176.35 175.37 1wk2 s GLU 93 N -0.88 0.89 -1.47 1.70 2.02 -0.07 -4.77 118.70 116.12 1wk2 s GLU 93 Ca 0.13 -1.27 -0.11 0.00 0.02 0.00 0.00 54.97 53.74 1wk2 s GLU 93 Cb -0.11 -0.47 0.06 0.00 0.10 0.00 0.00 34.13 33.70 1wk2 s GLU 93 CO 0.02 0.06 0.95 0.09 0.02 0.00 0.00 175.26 176.40 1wk2 n ASN 94 N 0.23 -5.29 -4.79 -0.19 5.03 -1.26 -0.38 115.26 108.61 1wk2 n ASN 94 Ca -0.14 -0.63 -0.35 0.00 0.87 0.00 0.00 54.58 54.33 1wk2 n ASN 94 Cb 0.59 -4.22 -0.05 0.00 -1.02 0.00 0.00 39.78 35.09 1wk2 n ASN 94 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wk2 s ALA 95 N -3.26 3.02 -0.01 5.41 0.00 -1.26 -4.55 121.76 121.12 1wk2 s ALA 95 Ca 0.59 0.61 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 1wk2 s ALA 95 Cb -0.28 -3.24 0.05 0.00 0.00 0.00 0.00 23.12 19.65 1wk2 s ALA 95 CO 0.72 -0.16 0.55 -0.59 0.00 0.00 0.00 175.76 176.29 1wk2 s PHE 96 N -1.84 -0.48 -0.16 0.00 -0.12 -0.73 -4.50 117.98 110.14 1wk2 s PHE 96 Ca 0.61 0.73 -0.12 0.00 -0.05 0.00 0.00 56.93 58.10 1wk2 s PHE 96 Cb -0.18 0.33 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 1wk2 s PHE 96 CO 0.22 -0.58 0.23 0.50 -0.05 0.00 0.00 175.22 175.54 1wk2 s ARG 97 N -1.67 4.11 0.44 1.99 3.52 -0.78 -1.64 118.95 124.93 1wk2 s ARG 97 Ca -0.09 -0.02 -0.24 0.00 -0.13 0.00 0.00 55.73 55.25 1wk2 s ARG 97 Cb -0.01 -3.38 -0.08 0.00 -1.56 0.00 0.00 34.95 29.92 1wk2 s ARG 97 CO 0.05 0.35 1.21 0.71 -0.81 0.00 0.00 175.30 176.80 1wk2 s TYR 98 N 0.16 2.88 0.43 5.12 2.02 0.11 -4.89 117.35 123.17 1wk2 s TYR 98 Ca 0.14 1.51 0.18 0.00 -0.37 0.00 0.00 57.07 58.52 1wk2 s TYR 98 Cb -0.12 -3.47 1.10 0.00 -0.40 0.00 0.00 41.96 39.07 1wk2 s TYR 98 CO 0.02 -1.66 1.89 1.05 -1.57 0.00 0.00 175.55 175.28 1wk2 h GLU 99 N 2.29 0.36 -4.08 -0.62 4.11 -1.98 -3.39 114.58 111.28 1wk2 h GLU 99 Ca -0.49 -0.02 -0.41 0.00 0.07 0.00 0.00 59.36 58.51 1wk2 h GLU 99 Cb 1.25 -0.08 -0.33 0.00 0.50 0.00 0.00 28.75 30.08 1wk2 h GLU 99 CO 0.61 0.24 -0.77 0.15 0.07 0.00 0.00 179.01 179.31 1wk2 s LYS 100 N -5.38 0.84 -0.05 1.06 1.02 -1.26 -5.12 119.74 110.85 1wk2 s LYS 100 Ca -0.08 -0.13 -0.30 0.00 0.02 0.00 0.00 55.97 55.48 1wk2 s LYS 100 Cb 0.22 -0.83 -0.05 0.00 -0.52 0.00 0.00 37.83 36.65 1wk2 s LYS 100 CO 0.77 -0.05 1.57 -1.25 -0.92 0.00 0.00 175.35 175.47 1wk2 s PRO 101 N 0.80 4.20 0.39 -1.68 0.04 -1.26 -4.95 135.00 132.53 1wk2 s PRO 101 Ca -0.11 2.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.80 1wk2 s PRO 101 Cb -0.14 -3.86 -0.10 0.00 0.04 0.00 0.00 34.50 30.45 1wk2 s PRO 101 CO 0.00 -0.78 1.00 -0.51 0.04 0.00 0.00 177.00 176.75 1wk2 s LEU 102 N 3.57 4.14 0.39 -3.56 1.43 0.42 -4.82 118.68 120.25 1wk2 s LEU 102 Ca 0.70 1.90 0.02 0.00 -1.03 0.00 0.00 54.13 55.71 1wk2 s LEU 102 Cb -0.32 -4.23 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 1wk2 s LEU 102 CO 0.28 -0.35 0.59 -2.28 0.23 0.00 0.00 176.35 174.81 1wk2 s HIS 103 N -1.77 3.29 0.01 0.29 2.46 -1.26 0.56 115.29 118.88 1wk2 s HIS 103 Ca 0.57 0.17 0.01 0.00 0.47 0.00 0.00 55.06 56.29 1wk2 s HIS 103 Cb -0.18 -2.10 -0.01 0.00 -0.13 0.00 0.00 32.58 30.16 1wk2 s HIS 103 CO 0.23 -0.12 -0.05 0.08 -2.47 0.00 0.00 174.74 172.41 1wk2 s VAL 104 N -2.39 0.36 0.75 0.89 1.01 -1.20 -4.78 120.40 115.04 1wk2 s VAL 104 Ca 0.45 -0.51 -0.13 0.00 0.00 0.00 0.00 61.98 61.78 1wk2 s VAL 104 Cb -0.10 -0.37 0.05 0.00 0.00 0.00 0.00 36.38 35.97 1wk2 s VAL 104 CO 0.36 -0.11 1.15 -2.84 0.00 0.00 0.00 175.10 173.66 1wk2 s PRO 105 N -0.66 2.14 0.00 2.72 0.02 -1.26 -4.89 135.00 133.07 1wk2 s PRO 105 Ca -0.04 1.54 0.00 0.00 0.02 0.00 0.00 61.00 62.52 1wk2 s PRO 105 Cb -0.05 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1wk2 s PRO 105 CO -0.00 -1.79 0.00 1.19 -0.33 0.00 0.00 177.00 176.07 1wk2 n PHE 113 N -3.01 0.00 -3.02 6.54 3.72 -1.26 -5.16 117.46 115.26 1wk2 n PHE 113 Ca 0.12 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.11 1wk2 n PHE 113 Cb 0.51 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 39.00 1wk2 n PHE 113 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1wk2 s VAL 114 N -1.48 4.94 -0.17 -4.37 1.01 -1.26 -5.01 120.40 114.07 1wk2 s VAL 114 Ca 0.00 1.34 -0.29 0.00 0.00 0.00 0.00 61.98 63.03 1wk2 s VAL 114 Cb 0.00 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.32 1wk2 s VAL 114 CO 0.00 0.03 1.75 -0.62 0.00 0.00 0.00 175.10 176.26 1wk2 s ASP 115 N 1.29 6.28 0.00 3.32 2.15 -1.26 -4.84 116.67 123.61 1wk2 s ASP 115 Ca 0.31 1.84 0.14 0.00 0.43 0.00 0.00 52.55 55.27 1wk2 s ASP 115 Cb -0.16 -2.53 0.35 0.00 -0.30 0.00 0.00 42.92 40.28 1wk2 s ASP 115 CO 0.10 -1.30 1.27 0.18 -0.17 0.00 0.00 175.17 175.25 1wk2 n LEU 116 N 8.67 3.04 0.34 -1.34 4.77 -1.26 -4.58 117.00 126.63 1wk2 n LEU 116 Ca 0.20 -1.87 0.22 0.00 -0.03 0.00 0.00 56.01 54.53 1wk2 n LEU 116 Cb 0.44 -0.25 1.19 0.00 -2.33 0.00 0.00 43.42 42.47 1wk2 n LEU 116 CO 0.65 0.74 1.18 0.77 -1.33 0.00 0.00 177.39 179.40 1wk2 h SER 117 N 2.58 0.00 -0.58 -1.43 4.64 -1.96 -1.07 113.55 115.73 1wk2 h SER 117 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wk2 h SER 117 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1wk2 h SER 117 CO 0.00 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.34 1wk2 n GLU 118 N -3.14 2.69 -2.33 4.77 -0.58 -1.26 -4.52 120.64 116.27 1wk2 n GLU 118 Ca -0.03 -2.44 -0.37 0.00 -0.42 0.00 0.00 57.16 53.90 1wk2 n GLU 118 Cb 0.08 -1.48 -0.02 0.00 -0.57 0.00 0.00 31.44 29.45 1wk2 n GLU 118 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1wk2 s VAL 119 N -1.06 3.25 -2.72 2.62 1.01 -0.41 -5.14 120.40 117.95 1wk2 s VAL 119 Ca 0.41 0.98 0.22 0.00 0.00 0.00 0.00 61.98 63.58 1wk2 s VAL 119 Cb 0.22 -3.51 0.17 0.00 0.00 0.00 0.00 36.38 33.25 1wk2 s VAL 119 CO 0.29 0.02 1.19 0.54 0.00 0.00 0.00 175.10 177.14