#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uuz s GLN 3 N 0.00 3.78 0.50 3.44 2.00 -1.26 -5.01 119.66 123.10 1uuz s GLN 3 Ca 0.00 1.35 -0.21 0.00 -2.00 0.00 0.00 55.36 54.50 1uuz s GLN 3 Cb 0.00 -2.09 -0.07 0.00 0.80 0.00 0.00 33.01 31.65 1uuz s GLN 3 CO 0.00 -0.45 1.12 -1.25 -0.50 0.00 0.00 175.29 174.21 1uuz s PRO 4 N -3.27 3.61 0.75 1.67 0.04 -1.26 -4.34 135.00 132.20 1uuz s PRO 4 Ca 0.67 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 63.28 1uuz s PRO 4 Cb -0.16 -2.19 0.11 0.00 0.04 0.00 0.00 34.50 32.30 1uuz s PRO 4 CO 0.21 -0.64 1.04 1.03 0.04 0.00 0.00 177.00 178.68 1uuz s ARG 5 N -3.02 1.70 0.25 4.56 0.52 -1.26 -1.30 118.95 120.41 1uuz s ARG 5 Ca 0.68 -0.69 -0.04 0.00 -0.52 0.00 0.00 55.73 55.17 1uuz s ARG 5 Cb -0.24 -2.20 0.41 0.00 0.52 0.00 0.00 34.95 33.44 1uuz s ARG 5 CO 0.29 -1.51 1.82 1.25 0.02 0.00 0.00 175.30 177.17 1uuz h LEU 6 N -0.72 0.75 -0.32 2.53 5.85 -1.82 -1.41 115.31 120.16 1uuz h LEU 6 Ca -0.41 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.40 1uuz h LEU 6 Cb 1.28 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 1uuz h LEU 6 CO 0.47 0.43 0.05 0.15 -0.34 0.00 0.00 178.44 179.20 1uuz h PHE 7 N 0.86 0.09 -0.05 1.25 3.57 -1.94 -1.05 116.94 119.67 1uuz h PHE 7 Ca 0.41 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.93 1uuz h PHE 7 Cb 0.35 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1uuz h PHE 7 CO -0.05 0.01 0.03 0.93 -2.23 0.00 0.00 178.31 177.00 1uuz h GLU 8 N 0.17 0.07 -0.71 1.11 3.07 -1.78 -2.87 114.58 113.63 1uuz h GLU 8 Ca 0.15 -0.01 0.13 0.00 -0.50 0.00 0.00 59.36 59.14 1uuz h GLU 8 Cb 0.17 -0.01 -0.09 0.00 -0.84 0.00 0.00 28.75 27.97 1uuz h GLU 8 CO -0.21 0.08 0.24 -0.07 -1.40 0.00 0.00 179.01 177.66 1uuz h LEU 9 N 0.03 0.19 0.00 1.33 3.38 -0.72 0.15 115.31 119.67 1uuz h LEU 9 Ca 0.02 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1uuz h LEU 9 Cb 0.03 0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1uuz h LEU 9 CO -0.00 0.07 0.00 0.18 0.09 0.00 0.00 178.44 178.78 1uuz n LEU 10 N -5.05 0.00 0.03 1.67 4.77 -0.45 -1.17 117.00 116.80 1uuz n LEU 10 Ca 0.13 0.08 0.11 0.00 -0.03 0.00 0.00 56.01 56.30 1uuz n LEU 10 Cb 0.39 -0.08 -0.03 0.00 -2.33 0.00 0.00 43.42 41.37 1uuz n LEU 10 CO 0.18 -0.05 -0.16 0.61 -1.33 0.00 0.00 177.39 176.64 1uuz n GLY 11 N -0.15 -1.19 3.85 -0.72 0.00 0.51 -4.28 105.19 103.21 1uuz n GLY 11 Ca 0.09 -0.41 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 1uuz n GLY 11 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uuz s GLN 12 N -3.28 3.53 0.17 1.61 -0.21 -0.32 -4.99 119.66 116.17 1uuz s GLN 12 Ca 0.01 0.87 -0.32 0.00 0.02 0.00 0.00 55.36 55.94 1uuz s GLN 12 Cb 0.14 -2.07 -0.11 0.00 1.00 0.00 0.00 33.01 31.97 1uuz s GLN 12 CO 0.83 -0.62 1.72 -1.25 -2.12 0.00 0.00 175.29 173.85 1uuz s PRO 13 N -4.83 4.15 0.00 2.91 0.04 -1.26 -3.22 135.00 132.79 1uuz s PRO 13 Ca 0.57 2.54 0.00 0.00 0.04 0.00 0.00 61.00 64.15 1uuz s PRO 13 Cb -0.12 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.14 1uuz s PRO 13 CO 0.48 -0.75 0.00 0.41 0.04 0.00 0.00 177.00 177.18 1uuz n GLY 14 N 4.02 2.43 0.31 0.56 0.00 -1.26 -4.84 105.19 106.41 1uuz n GLY 14 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 46.02 46.06 1uuz n GLY 14 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1uuz h TYR 15 N 0.00 0.84 -0.38 1.61 0.99 -1.82 -0.88 116.97 117.33 1uuz h TYR 15 Ca 0.00 -0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.67 1uuz h TYR 15 Cb 0.00 -0.26 -0.02 0.00 1.00 0.00 0.00 36.73 37.46 1uuz h TYR 15 CO 0.00 0.67 0.23 -0.22 -0.00 0.00 0.00 178.16 178.84 1uuz h LYS 16 N 0.82 0.53 -0.36 4.88 1.63 -1.75 -1.03 116.57 121.29 1uuz h LYS 16 Ca 0.19 -0.05 -0.03 0.00 -0.85 0.00 0.00 60.65 59.90 1uuz h LYS 16 Cb 0.20 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.71 1uuz h LYS 16 CO -0.01 0.41 0.09 0.00 -3.45 0.00 0.00 179.45 176.48 1uuz h ALA 17 N 1.09 0.48 0.00 5.00 0.00 -1.82 -2.67 119.26 121.33 1uuz h ALA 17 Ca 0.14 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1uuz h ALA 17 Cb 0.02 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 1uuz h ALA 17 CO -0.02 0.15 -0.15 1.79 0.00 0.00 0.00 179.25 181.01 1uuz h THR 18 N 0.44 0.97 0.20 0.00 1.35 -0.98 -2.22 112.91 112.67 1uuz h THR 18 Ca 0.11 -0.55 -0.01 0.00 -0.55 0.00 0.00 66.41 65.42 1uuz h THR 18 Cb 0.30 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.03 1uuz h THR 18 CO 0.00 0.15 -0.10 -0.25 -0.25 0.00 0.00 175.52 175.07 1uuz h TRP 19 N 0.00 -0.25 -0.22 4.73 2.91 -0.86 -3.11 115.95 119.14 1uuz h TRP 19 Ca -0.00 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.00 1uuz h TRP 19 Cb 0.30 0.08 -0.01 0.00 -0.51 0.00 0.00 29.16 29.02 1uuz h TRP 19 CO 0.00 0.11 0.07 1.25 -1.03 0.00 0.00 178.44 178.84 1uuz h HIS 20 N -0.67 0.30 0.00 2.65 2.76 -1.33 -2.30 115.15 116.56 1uuz h HIS 20 Ca -0.03 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.10 1uuz h HIS 20 Cb 0.48 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1uuz h HIS 20 CO 0.04 0.26 -0.18 0.00 -1.30 0.00 0.00 177.93 176.75 1uuz h ALA 21 N 1.77 1.41 0.00 5.26 0.00 -1.37 -2.70 119.26 123.63 1uuz h ALA 21 Ca 0.08 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 1uuz h ALA 21 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1uuz h ALA 21 CO -0.01 0.23 -0.15 0.52 0.00 0.00 0.00 179.25 179.85 1uuz h MET 22 N 0.00 0.00 -0.24 0.00 2.86 -1.34 -2.98 114.93 113.22 1uuz h MET 22 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1uuz h MET 22 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 1uuz h MET 22 CO 0.02 0.15 0.00 1.19 1.06 0.00 0.00 176.91 179.33 1uuz n PHE 23 N -3.85 0.30 -2.05 -0.22 3.01 -1.02 -3.89 117.46 109.73 1uuz n PHE 23 Ca -0.02 -0.17 -0.42 0.00 1.01 0.00 0.00 57.45 57.85 1uuz n PHE 23 Cb 0.24 -0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.68 1uuz n PHE 23 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1uuz s LYS 24 N -1.49 4.25 0.00 -1.08 2.20 -1.13 -1.67 119.74 120.82 1uuz s LYS 24 Ca 0.31 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 1uuz s LYS 24 Cb 0.19 -3.38 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1uuz s LYS 24 CO 0.27 -0.58 0.00 0.41 -0.36 0.00 0.00 175.35 175.09 1uuz n GLY 25 N 3.72 0.88 3.85 5.54 0.00 -1.26 -5.03 105.19 112.89 1uuz n GLY 25 Ca 0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 1uuz n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1uuz s GLU 26 N -0.19 3.86 0.22 1.61 0.41 -0.67 -5.10 118.70 118.85 1uuz s GLU 26 Ca 0.00 0.33 0.09 0.00 -0.41 0.00 0.00 54.97 54.98 1uuz s GLU 26 Cb 0.00 -3.09 -0.04 0.00 -1.78 0.00 0.00 34.13 29.22 1uuz s GLU 26 CO 0.00 0.61 -0.02 -1.54 -0.49 0.00 0.00 175.26 173.82 1uuz s SER 27 N -1.45 4.57 -1.46 -0.19 1.04 -1.26 -4.68 113.70 110.26 1uuz s SER 27 Ca 0.30 -0.55 -0.09 0.00 0.48 0.00 0.00 55.95 56.09 1uuz s SER 27 Cb -0.15 -0.88 0.04 0.00 0.10 0.00 0.00 66.02 65.12 1uuz s SER 27 CO 0.16 0.05 0.81 0.47 0.98 0.00 0.00 173.24 175.71 1uuz n ASP 28 N -0.48 -5.50 -4.69 7.02 8.00 -1.26 -4.96 116.55 114.69 1uuz n ASP 28 Ca -0.08 -0.47 -0.41 0.00 0.71 0.00 0.00 54.79 54.53 1uuz n ASP 28 Cb 0.57 -4.41 -0.04 0.00 -0.02 0.00 0.00 41.12 37.22 1uuz n ASP 28 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1uuz s VAL 29 N -3.20 4.91 0.56 2.53 1.01 -1.26 -5.02 120.40 119.93 1uuz s VAL 29 Ca 0.47 1.71 -0.21 0.00 0.00 0.00 0.00 61.98 63.96 1uuz s VAL 29 Cb -0.22 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 31.95 1uuz s VAL 29 CO 0.58 0.10 1.27 -2.84 0.00 0.00 0.00 175.10 174.21 1uuz s PRO 30 N 1.61 3.12 0.32 2.72 0.02 -1.26 -4.84 135.00 136.68 1uuz s PRO 30 Ca 0.42 2.00 -0.00 0.00 0.02 0.00 0.00 61.00 63.44 1uuz s PRO 30 Cb -0.18 -2.12 0.52 0.00 0.02 0.00 0.00 34.50 32.74 1uuz s PRO 30 CO 0.17 -1.14 1.97 -0.22 -0.33 0.00 0.00 177.00 177.45 1uuz h LYS 31 N 1.26 0.94 0.00 5.54 3.64 -1.99 -1.76 116.57 124.19 1uuz h LYS 31 Ca -0.50 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 58.78 1uuz h LYS 31 Cb 1.30 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1uuz h LYS 31 CO 0.57 0.65 -0.08 0.11 -2.27 0.00 0.00 179.45 178.42 1uuz h TRP 32 N 0.96 0.00 0.00 1.91 5.08 -1.94 -0.86 115.95 121.10 1uuz h TRP 32 Ca 0.25 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.21 1uuz h TRP 32 Cb -0.06 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.10 1uuz h TRP 32 CO 0.00 0.08 -0.21 0.28 -1.28 0.00 0.00 178.44 177.31 1uuz h VAL 33 N 0.00 0.37 -0.56 0.12 2.07 -1.68 -2.48 116.25 114.08 1uuz h VAL 33 Ca -0.00 -1.31 0.08 0.00 0.82 0.00 0.00 66.70 66.29 1uuz h VAL 33 Cb 0.31 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 1uuz h VAL 33 CO 0.01 0.12 0.38 0.77 0.02 0.00 0.00 177.57 178.87 1uuz h SER 34 N -1.00 0.38 0.15 0.57 4.64 -1.37 -1.69 113.55 115.23 1uuz h SER 34 Ca -0.03 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1uuz h SER 34 Cb 0.38 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1uuz h SER 34 CO -0.02 0.23 -0.15 0.47 -0.87 0.00 0.00 176.83 176.50 1uuz n ASP 35 N -4.47 1.15 -3.26 4.97 9.92 -0.33 -4.94 116.55 119.58 1uuz n ASP 35 Ca 0.09 -1.09 -0.23 0.00 -0.53 0.00 0.00 54.79 53.02 1uuz n ASP 35 Cb 0.32 0.07 0.02 0.00 -0.64 0.00 0.00 41.12 40.89 1uuz n ASP 35 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1uuz n ALA 36 N -0.37 -1.05 -1.97 2.24 0.00 -0.64 -4.98 120.51 113.74 1uuz n ALA 36 Ca 0.15 0.21 -0.24 0.00 0.00 0.00 0.00 53.44 53.56 1uuz n ALA 36 Cb 0.34 -3.62 0.09 0.00 0.00 0.00 0.00 19.45 16.27 1uuz n ALA 36 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1uuz s SER 37 N -2.79 4.51 0.00 0.00 1.04 -0.95 -4.83 113.70 110.68 1uuz s SER 37 Ca 0.39 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.76 1uuz s SER 37 Cb -0.19 -0.45 0.00 0.00 0.10 0.00 0.00 66.02 65.48 1uuz s SER 37 CO 0.48 -1.75 0.00 0.61 0.98 0.00 0.00 173.24 173.56 1uuz n GLY 38 N -2.84 1.05 3.70 7.32 0.00 -1.26 -4.28 105.19 108.88 1uuz n GLY 38 Ca 0.12 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1uuz n GLY 38 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1uuz n PRO 39 N 1.58 2.21 -3.76 1.61 -0.02 -1.24 -4.67 135.00 130.71 1uuz n PRO 39 Ca 0.00 0.78 -0.13 0.00 -2.02 0.00 0.00 63.50 62.14 1uuz n PRO 39 Cb 0.00 -2.44 -0.12 0.00 -0.02 0.00 0.00 33.50 30.92 1uuz n PRO 39 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1uuz s SER 40 N 0.10 -0.27 0.31 2.55 0.15 -1.26 -2.68 113.70 112.60 1uuz s SER 40 Ca 0.62 0.53 0.08 0.00 0.70 0.00 0.00 55.95 57.88 1uuz s SER 40 Cb -0.59 0.49 -0.03 0.00 -1.71 0.00 0.00 66.02 64.18 1uuz s SER 40 CO 0.54 -0.12 0.24 -0.94 1.20 0.00 0.00 173.24 174.17 1uuz s SER 41 N 0.56 5.25 0.10 5.45 1.04 -1.26 -4.90 113.70 119.94 1uuz s SER 41 Ca -0.03 -0.47 -0.36 0.00 0.48 0.00 0.00 55.95 55.57 1uuz s SER 41 Cb -0.05 -1.05 -0.17 0.00 0.10 0.00 0.00 66.02 64.85 1uuz s SER 41 CO -0.03 -0.26 1.11 -2.65 0.98 0.00 0.00 173.24 172.40 1uuz n PRO 42 N -1.28 0.68 -1.23 4.02 -0.02 -1.26 -4.61 135.00 131.29 1uuz n PRO 42 Ca -0.04 0.24 -0.29 0.00 -2.02 0.00 0.00 63.50 61.39 1uuz n PRO 42 Cb 0.59 -1.73 0.21 0.00 -0.02 0.00 0.00 33.50 32.55 1uuz n PRO 42 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 1uuz s SER 43 N 0.02 1.86 -0.03 2.55 0.01 -0.42 -4.94 113.70 112.75 1uuz s SER 43 Ca 0.81 0.79 0.04 0.00 1.31 0.00 0.00 55.95 58.89 1uuz s SER 43 Cb -1.02 -1.17 -0.00 0.00 0.21 0.00 0.00 66.02 64.04 1uuz s SER 43 CO 0.53 -3.56 -0.14 -0.89 0.41 0.00 0.00 173.24 169.59 1uuz s THR 44 N -3.10 1.20 -0.16 1.44 2.01 -0.47 -4.74 115.64 111.81 1uuz s THR 44 Ca 0.69 -0.59 -0.05 0.00 0.31 0.00 0.00 61.69 62.05 1uuz s THR 44 Cb -0.12 -1.04 -0.03 0.00 0.01 0.00 0.00 72.50 71.32 1uuz s THR 44 CO 0.56 0.35 -0.01 -0.55 -0.69 0.00 0.00 174.62 174.28 1uuz s SER 45 N 0.06 4.97 0.29 3.53 0.15 -1.26 -0.12 113.70 121.32 1uuz s SER 45 Ca -0.03 -0.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.41 1uuz s SER 45 Cb -0.10 -1.82 0.01 0.00 -1.71 0.00 0.00 66.02 62.40 1uuz s SER 45 CO 0.01 0.17 0.56 -1.48 1.20 0.00 0.00 173.24 173.69 1uuz s LEU 46 N 0.39 0.35 -0.04 3.45 2.34 -0.73 -5.02 118.68 119.41 1uuz s LEU 46 Ca -0.02 -1.05 0.02 0.00 0.06 0.00 0.00 54.13 53.14 1uuz s LEU 46 Cb -0.14 1.99 0.02 0.00 -0.56 0.00 0.00 46.19 47.50 1uuz s LEU 46 CO 0.02 -1.29 -0.07 -0.44 -1.06 0.00 0.00 176.35 173.52 1uuz s SER 47 N -3.06 1.10 -0.87 1.48 0.01 -1.26 -0.11 113.70 110.98 1uuz s SER 47 Ca 0.22 -0.17 -0.15 0.00 1.31 0.00 0.00 55.95 57.16 1uuz s SER 47 Cb -0.02 -0.47 0.19 0.00 0.21 0.00 0.00 66.02 65.93 1uuz s SER 47 CO 0.12 -0.01 0.89 -0.76 0.41 0.00 0.00 173.24 173.89 1uuz s LEU 48 N 0.68 6.24 -0.75 2.44 1.43 0.25 -4.66 118.68 124.31 1uuz s LEU 48 Ca -0.10 -2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 50.42 1uuz s LEU 48 Cb -0.13 -2.27 0.01 0.00 0.03 0.00 0.00 46.19 43.83 1uuz s LEU 48 CO 0.01 -0.71 0.64 -0.62 0.23 0.00 0.00 176.35 175.90 1uuz n GLU 49 N 4.71 -1.55 0.00 1.70 1.02 -1.26 -2.28 120.64 122.97 1uuz n GLU 49 Ca 0.17 1.14 0.00 0.00 -0.02 0.00 0.00 57.16 58.45 1uuz n GLU 49 Cb 0.47 -3.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.27 1uuz n GLU 49 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1uuz n GLY 50 N -1.50 2.71 3.58 0.62 0.00 -1.26 -4.99 105.19 104.35 1uuz n GLY 50 Ca -0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 1uuz n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uuz s GLN 51 N -0.03 3.71 0.22 1.61 -1.52 -0.97 -5.05 119.66 117.64 1uuz s GLN 51 Ca 0.00 0.22 -0.26 0.00 -1.95 0.00 0.00 55.36 53.37 1uuz s GLN 51 Cb 0.00 -3.82 -0.09 0.00 -0.22 0.00 0.00 33.01 28.89 1uuz s GLN 51 CO 0.00 -0.83 0.84 -1.25 -0.25 0.00 0.00 175.29 173.80 1uuz s PRO 52 N 3.00 4.60 0.04 2.91 0.04 -1.26 0.87 135.00 145.20 1uuz s PRO 52 Ca 0.29 1.23 -0.00 0.00 0.04 0.00 0.00 61.00 62.56 1uuz s PRO 52 Cb -0.13 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 1uuz s PRO 52 CO 0.17 0.47 -0.03 0.71 0.04 0.00 0.00 177.00 178.35 1uuz s TYR 53 N -1.31 0.45 -0.16 0.56 1.51 0.84 -1.23 117.35 118.01 1uuz s TYR 53 Ca 0.41 -0.82 0.00 0.00 -1.01 0.00 0.00 57.07 55.66 1uuz s TYR 53 Cb -0.22 -0.32 0.02 0.00 -0.11 0.00 0.00 41.96 41.34 1uuz s TYR 53 CO 0.26 -0.28 -0.15 0.08 -1.11 0.00 0.00 175.55 174.36 1uuz s VAL 54 N -2.80 1.64 -0.35 0.71 1.01 -0.18 -1.78 120.40 118.66 1uuz s VAL 54 Ca -0.03 -0.71 -0.14 0.00 0.00 0.00 0.00 61.98 61.10 1uuz s VAL 54 Cb -0.00 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 1uuz s VAL 54 CO -0.06 0.44 0.29 -0.76 0.00 0.00 0.00 175.10 175.01 1uuz s LEU 55 N 1.45 4.54 0.39 3.92 1.43 0.83 -1.03 118.68 130.21 1uuz s LEU 55 Ca 0.04 -0.40 0.08 0.00 -1.03 0.00 0.00 54.13 52.82 1uuz s LEU 55 Cb -0.13 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1uuz s LEU 55 CO -0.11 -0.29 0.25 0.00 0.23 0.00 0.00 176.35 176.44 1uuz s ALA 56 N 1.82 3.76 0.01 4.21 0.00 0.45 -1.37 121.76 130.64 1uuz s ALA 56 Ca 0.08 -1.94 -0.08 0.00 0.00 0.00 0.00 51.96 50.02 1uuz s ALA 56 Cb -0.17 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.21 1uuz s ALA 56 CO 0.11 -0.13 0.16 0.54 0.00 0.00 0.00 175.76 176.43 1uuz s ASN 57 N -3.98 0.02 0.26 0.00 2.20 -1.26 -1.54 114.94 110.64 1uuz s ASN 57 Ca 0.43 -0.23 -0.19 0.00 -0.94 0.00 0.00 52.86 51.93 1uuz s ASN 57 Cb -0.01 0.23 0.02 0.00 -2.00 0.00 0.00 41.25 39.49 1uuz s ASN 57 CO 0.25 -0.41 0.65 -0.94 -2.94 0.00 0.00 177.10 173.71 1uuz s SER 58 N -1.53 -0.24 0.14 3.54 1.04 -0.36 -4.35 113.70 111.94 1uuz s SER 58 Ca -0.13 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.48 1uuz s SER 58 Cb -0.06 0.69 0.04 0.00 0.10 0.00 0.00 66.02 66.79 1uuz s SER 58 CO 0.01 -1.28 0.46 0.00 0.98 0.00 0.00 173.24 173.41 1uuz s LYS 60 N -3.80 4.18 0.10 0.00 2.20 -0.40 -3.71 119.74 118.30 1uuz s LYS 60 Ca 0.03 2.44 -0.35 0.00 -0.36 0.00 0.00 55.97 57.74 1uuz s LYS 60 Cb 0.01 -3.42 -0.15 0.00 -1.51 0.00 0.00 37.83 32.77 1uuz s LYS 60 CO -0.11 -0.73 1.54 -2.30 -0.36 0.00 0.00 175.35 173.38 1uuz n PRO 61 N 4.99 1.81 -1.18 4.03 -0.02 -1.26 -1.35 135.00 142.02 1uuz n PRO 61 Ca 0.16 0.65 -0.06 0.00 -2.02 0.00 0.00 63.50 62.23 1uuz n PRO 61 Cb 0.39 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 1uuz n PRO 61 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 1uuz n HIS 62 N 3.50 0.00 -2.69 6.00 8.25 -1.26 -4.72 115.22 124.30 1uuz n HIS 62 Ca 0.18 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.58 1uuz n HIS 62 Cb 0.25 -2.01 0.11 0.00 1.12 0.00 0.00 29.99 29.47 1uuz n HIS 62 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1uuz n ASP 63 N -0.69 -1.48 0.31 0.41 -0.08 -0.46 -5.03 116.55 109.53 1uuz n ASP 63 Ca -0.06 -2.43 -0.15 0.00 -1.51 0.00 0.00 54.79 50.63 1uuz n ASP 63 Cb 0.44 0.80 -0.08 0.00 2.34 0.00 0.00 41.12 44.62 1uuz n ASP 63 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1uuz h GLY 65 N -1.02 1.65 -1.06 0.00 0.00 -1.96 -2.26 103.07 98.43 1uuz h GLY 65 Ca -0.08 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.91 1uuz h GLY 65 CO 0.13 -0.05 0.00 0.70 0.00 0.00 0.00 176.54 177.32 1uuz n ASN 66 N -4.72 2.06 -3.40 0.19 3.02 -1.24 -4.66 115.26 106.50 1uuz n ASN 66 Ca 0.23 -1.71 -0.21 0.00 -0.03 0.00 0.00 54.58 52.85 1uuz n ASN 66 Cb 0.60 -0.06 -0.09 0.00 -0.61 0.00 0.00 39.78 39.61 1uuz n ASN 66 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1uuz s ASN 67 N -1.81 1.85 0.08 6.41 -0.87 -0.85 -1.38 114.94 118.37 1uuz s ASN 67 Ca 0.35 -1.77 0.07 0.00 -1.57 0.00 0.00 52.86 49.93 1uuz s ASN 67 Cb 0.20 0.21 -0.04 0.00 -0.02 0.00 0.00 41.25 41.60 1uuz s ASN 67 CO 0.30 -0.28 -0.13 -0.13 -2.57 0.00 0.00 177.10 174.30 1uuz s ARG 68 N 1.34 2.11 -0.12 -0.60 0.52 -0.54 -1.28 118.95 120.37 1uuz s ARG 68 Ca 0.17 -1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 54.37 1uuz s ARG 68 Cb -0.18 -2.27 0.03 0.00 0.52 0.00 0.00 34.95 33.05 1uuz s ARG 68 CO -0.03 0.52 -0.06 -1.17 0.02 0.00 0.00 175.30 174.58 1uuz s LEU 69 N -1.94 1.23 -0.17 2.53 2.96 0.08 -0.36 118.68 123.01 1uuz s LEU 69 Ca 0.19 -0.38 -0.02 0.00 -0.22 0.00 0.00 54.13 53.69 1uuz s LEU 69 Cb -0.11 -0.81 -0.02 0.00 0.50 0.00 0.00 46.19 45.76 1uuz s LEU 69 CO 0.11 -0.15 -0.08 -0.76 -1.32 0.00 0.00 176.35 174.15 1uuz s LEU 70 N 1.72 2.91 -0.01 -0.68 1.43 -0.32 -1.22 118.68 122.51 1uuz s LEU 70 Ca 0.04 -0.30 0.06 0.00 -1.03 0.00 0.00 54.13 52.90 1uuz s LEU 70 Cb -0.13 -1.70 -0.01 0.00 0.03 0.00 0.00 46.19 44.38 1uuz s LEU 70 CO -0.08 0.11 -0.19 -0.69 0.23 0.00 0.00 176.35 175.73 1uuz s VAL 71 N 0.72 1.51 -0.24 -1.59 1.01 -0.59 -0.84 120.40 120.38 1uuz s VAL 71 Ca -0.04 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1uuz s VAL 71 Cb -0.15 -1.25 0.02 0.00 0.00 0.00 0.00 36.38 35.00 1uuz s VAL 71 CO 0.02 0.42 -0.07 0.00 0.00 0.00 0.00 175.10 175.47 1uuz s ALA 72 N -0.45 2.69 -0.18 5.51 0.00 0.03 -0.41 121.76 128.96 1uuz s ALA 72 Ca 0.07 -1.38 -0.09 0.00 0.00 0.00 0.00 51.96 50.57 1uuz s ALA 72 Cb -0.07 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 1uuz s ALA 72 CO -0.01 -0.70 0.11 -0.06 0.00 0.00 0.00 175.76 175.11 1uuz s PHE 73 N 1.35 3.41 0.34 0.00 0.40 -0.20 -0.79 117.98 122.48 1uuz s PHE 73 Ca 0.02 0.31 -0.28 0.00 -0.60 0.00 0.00 56.93 56.38 1uuz s PHE 73 Cb -0.16 -2.08 -0.09 0.00 0.51 0.00 0.00 43.02 41.20 1uuz s PHE 73 CO -0.05 0.36 1.15 1.03 0.70 0.00 0.00 175.22 178.41 1uuz s ARG 74 N 0.03 4.37 0.63 0.44 0.52 -0.40 -1.01 118.95 123.54 1uuz s ARG 74 Ca 0.09 1.86 0.39 0.00 -0.52 0.00 0.00 55.73 57.55 1uuz s ARG 74 Cb -0.11 -2.95 2.16 0.00 0.52 0.00 0.00 34.95 34.56 1uuz s ARG 74 CO -0.00 -0.05 2.31 0.78 0.02 0.00 0.00 175.30 178.35 1uuz h GLY 75 N 3.26 0.00 -1.45 -3.53 0.00 -1.50 -2.52 103.07 97.33 1uuz h GLY 75 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1uuz h GLY 75 CO 0.65 0.00 0.00 2.09 0.00 0.00 0.00 176.54 179.28 1uuz n ASP 76 N -3.32 2.11 -1.46 0.19 3.85 -1.26 -4.93 116.55 111.72 1uuz n ASP 76 Ca -0.03 -2.02 -0.19 0.00 -0.71 0.00 0.00 54.79 51.85 1uuz n ASP 76 Cb 0.10 -0.27 -0.08 0.00 -1.35 0.00 0.00 41.12 39.52 1uuz n ASP 76 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1uuz n LYS 77 N 0.61 -1.30 0.10 0.11 4.76 -0.95 -4.89 118.16 116.61 1uuz n LYS 77 Ca 0.13 1.14 0.12 0.00 -2.87 0.00 0.00 58.31 56.82 1uuz n LYS 77 Cb 0.34 -5.44 0.02 0.00 -1.84 0.00 0.00 35.03 28.11 1uuz n LYS 77 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 1uuz h SER 78 N 0.00 0.00 -4.64 4.39 4.64 -1.92 -3.45 113.55 112.57 1uuz h SER 78 Ca -0.38 -0.03 0.10 0.00 -0.47 0.00 0.00 61.79 61.00 1uuz h SER 78 Cb 1.22 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.15 1uuz h SER 78 CO 0.55 0.02 0.47 0.00 -0.87 0.00 0.00 176.83 177.00 1uuz s ALA 79 N -3.34 -1.81 0.05 5.18 0.00 -1.26 -5.01 121.76 115.57 1uuz s ALA 79 Ca 0.01 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1uuz s ALA 79 Cb 0.10 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 1uuz s ALA 79 CO 0.78 -0.67 -0.05 0.00 0.00 0.00 0.00 175.76 175.83 1uuz s ALA 80 N -3.01 0.47 0.03 0.00 0.00 -1.26 -1.27 121.76 116.71 1uuz s ALA 80 Ca 0.04 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.11 1uuz s ALA 80 Cb -0.01 0.16 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 1uuz s ALA 80 CO -0.08 -0.20 -0.08 0.71 0.00 0.00 0.00 175.76 176.11 1uuz s TYR 81 N -2.45 0.70 0.09 0.00 1.51 0.03 -4.62 117.35 112.62 1uuz s TYR 81 Ca -0.04 -0.33 0.04 0.00 -1.01 0.00 0.00 57.07 55.73 1uuz s TYR 81 Cb -0.03 -0.43 -0.03 0.00 -0.11 0.00 0.00 41.96 41.36 1uuz s TYR 81 CO -0.04 -0.04 -0.10 0.20 -1.11 0.00 0.00 175.55 174.47 1uuz s GLY 82 N -0.99 0.81 -0.16 0.71 0.00 0.11 -0.79 107.32 107.01 1uuz s GLY 82 Ca -0.04 -1.12 -0.01 0.00 0.00 0.00 0.00 44.72 43.56 1uuz s GLY 82 CO 0.00 -1.18 -0.03 -2.27 0.00 0.00 0.00 173.10 169.62 1uuz s LEU 83 N -2.27 1.47 -0.24 0.66 2.96 -0.02 -0.68 118.68 120.56 1uuz s LEU 83 Ca 0.03 -0.66 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1uuz s LEU 83 Cb -0.04 -0.82 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 1uuz s LEU 83 CO 0.00 -0.21 0.13 -1.58 -1.32 0.00 0.00 176.35 173.37 1uuz s GLN 84 N 1.70 3.94 -0.23 1.98 0.74 0.39 -1.17 119.66 127.01 1uuz s GLN 84 Ca 0.01 -0.34 -0.03 0.00 0.05 0.00 0.00 55.36 55.04 1uuz s GLN 84 Cb -0.15 -3.47 -0.00 0.00 1.10 0.00 0.00 33.01 30.49 1uuz s GLN 84 CO -0.07 -0.01 -0.05 0.08 -0.55 0.00 0.00 175.29 174.69 1uuz s VAL 85 N 1.21 3.23 -0.11 1.34 1.01 0.51 -1.14 120.40 126.45 1uuz s VAL 85 Ca 0.06 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1uuz s VAL 85 Cb -0.14 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.72 1uuz s VAL 85 CO 0.05 0.38 -0.12 -0.44 0.00 0.00 0.00 175.10 174.97 1uuz s SER 86 N 1.44 4.10 0.06 3.32 0.01 -0.35 -1.47 113.70 120.81 1uuz s SER 86 Ca 0.05 -0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.11 1uuz s SER 86 Cb -0.15 -1.47 -0.03 0.00 0.21 0.00 0.00 66.02 64.59 1uuz s SER 86 CO -0.04 0.21 -0.22 -0.76 0.41 0.00 0.00 173.24 172.84 1uuz s LEU 87 N 0.11 2.20 0.39 2.44 1.43 -0.48 -1.11 118.68 123.65 1uuz s LEU 87 Ca -0.06 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.38 1uuz s LEU 87 Cb -0.15 -1.01 -0.06 0.00 0.03 0.00 0.00 46.19 45.01 1uuz s LEU 87 CO 0.04 0.16 0.73 -2.16 0.23 0.00 0.00 176.35 175.35 1uuz s PRO 88 N -1.35 3.74 -0.05 1.29 0.04 -1.26 -4.77 135.00 132.63 1uuz s PRO 88 Ca 0.08 0.37 0.05 0.00 0.04 0.00 0.00 61.00 61.54 1uuz s PRO 88 Cb -0.09 -2.44 0.24 0.00 0.04 0.00 0.00 34.50 32.26 1uuz s PRO 88 CO 0.02 -0.00 0.98 -0.40 0.04 0.00 0.00 177.00 177.64 1uuz n ASP 89 N -1.30 2.11 -3.29 6.66 5.75 -1.26 -4.91 116.55 120.31 1uuz n ASP 89 Ca 0.02 -2.20 -0.02 0.00 -0.01 0.00 0.00 54.79 52.58 1uuz n ASP 89 Cb 0.54 -0.43 0.01 0.00 -1.03 0.00 0.00 41.12 40.21 1uuz n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1uuz n GLU 90 N 0.19 1.39 -1.18 0.11 1.02 -1.26 -4.83 120.64 116.09 1uuz n GLU 90 Ca 0.08 -0.07 -0.38 0.00 -0.02 0.00 0.00 57.16 56.77 1uuz n GLU 90 Cb 0.44 -0.47 0.02 0.00 -0.02 0.00 0.00 31.44 31.41 1uuz n GLU 90 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1uuz n PRO 91 N 0.70 0.01 -0.00 3.49 -0.04 -1.26 -4.65 135.00 133.24 1uuz n PRO 91 Ca 0.01 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.69 1uuz n PRO 91 Cb 0.03 -1.01 0.55 0.00 -0.04 0.00 0.00 33.50 33.03 1uuz n PRO 91 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uuz h ALA 92 N -0.30 2.42 -0.68 0.55 0.00 -2.00 -0.15 119.26 119.11 1uuz h ALA 92 Ca -0.42 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 54.66 1uuz h ALA 92 Cb 1.40 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 19.21 1uuz h ALA 92 CO 0.36 -1.15 0.49 0.93 0.00 0.00 0.00 179.25 179.88 1uuz h GLU 93 N 0.00 0.03 0.00 0.00 3.07 -1.99 0.14 114.58 115.83 1uuz h GLU 93 Ca 0.29 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 59.15 1uuz h GLU 93 Cb 1.95 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 29.85 1uuz h GLU 93 CO -0.00 0.02 -0.01 0.28 -1.40 0.00 0.00 179.01 177.90 1uuz h VAL 94 N 0.03 0.87 -0.31 3.13 2.07 -1.28 -2.43 116.25 118.32 1uuz h VAL 94 Ca 0.33 -0.02 -0.05 0.00 0.82 0.00 0.00 66.70 67.78 1uuz h VAL 94 Cb 1.26 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 32.03 1uuz h VAL 94 CO -0.01 0.01 0.01 0.24 0.02 0.00 0.00 177.57 177.83 1uuz h MET 95 N 0.00 0.55 -0.02 1.57 2.86 -0.93 -2.71 114.93 116.24 1uuz h MET 95 Ca -0.00 -0.17 -0.03 0.00 -2.06 0.00 0.00 59.70 57.44 1uuz h MET 95 Cb 0.01 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1uuz h MET 95 CO 0.00 0.67 -0.11 1.96 1.06 0.00 0.00 176.91 180.49 1uuz h GLN 96 N 0.35 0.12 -2.46 1.72 1.08 -1.55 -3.40 115.11 110.98 1uuz h GLN 96 Ca 0.09 -0.09 -0.60 0.00 -1.45 0.00 0.00 58.65 56.60 1uuz h GLN 96 Cb 0.42 0.02 -0.41 0.00 -0.05 0.00 0.00 27.48 27.46 1uuz h GLN 96 CO 0.01 0.75 -0.75 0.25 -0.95 0.00 0.00 178.83 178.14 1uuz n THR 97 N -4.65 0.92 -0.17 -0.54 -2.24 -0.96 -4.48 114.28 102.15 1uuz n THR 97 Ca -0.09 -4.56 0.02 0.00 -2.27 0.00 0.00 64.05 57.15 1uuz n THR 97 Cb 0.39 -2.02 0.30 0.00 -2.10 0.00 0.00 70.33 66.89 1uuz n THR 97 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1uuz h PRO 98 N 4.77 0.87 -0.31 -0.78 0.13 -1.70 -2.68 132.00 132.30 1uuz h PRO 98 Ca 0.17 -0.05 0.09 0.00 -0.87 0.00 0.00 66.00 65.34 1uuz h PRO 98 Cb 0.77 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.70 1uuz h PRO 98 CO 0.65 0.57 0.25 0.66 -0.23 0.00 0.00 178.00 179.90 1uuz h SER 99 N 0.89 0.00 0.62 1.44 4.64 -1.89 -0.83 113.55 118.42 1uuz h SER 99 Ca 0.26 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.50 1uuz h SER 99 Cb -0.05 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.02 1uuz h SER 99 CO -0.06 0.00 -0.37 0.50 -0.87 0.00 0.00 176.83 176.03 1uuz h LYS 100 N 0.00 0.00 -0.01 4.77 3.64 -1.88 -3.23 116.57 119.86 1uuz h LYS 100 Ca 0.14 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1uuz h LYS 100 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1uuz h LYS 100 CO -0.00 0.37 -0.31 0.66 -2.27 0.00 0.00 179.45 177.89 1uuz n TYR 101 N -3.73 0.00 -2.22 1.91 4.02 -0.40 -5.04 117.16 111.70 1uuz n TYR 101 Ca -0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.52 1uuz n TYR 101 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 1uuz n TYR 101 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1uuz s ALA 102 N -1.74 2.83 -0.09 -0.72 0.00 -0.70 -4.57 121.76 116.78 1uuz s ALA 102 Ca 0.11 0.92 0.04 0.00 0.00 0.00 0.00 51.96 53.03 1uuz s ALA 102 Cb 0.11 -3.39 -0.00 0.00 0.00 0.00 0.00 23.12 19.84 1uuz s ALA 102 CO 0.36 -0.77 -0.24 0.99 0.00 0.00 0.00 175.76 176.11 1uuz s THR 103 N -1.62 2.12 -0.09 0.00 2.01 -0.27 -4.98 115.64 112.82 1uuz s THR 103 Ca 0.68 -1.01 0.02 0.00 0.31 0.00 0.00 61.69 61.69 1uuz s THR 103 Cb -0.28 -1.80 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 1uuz s THR 103 CO 0.32 0.56 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.35 1uuz s TYR 104 N 0.18 2.72 -0.06 4.92 1.51 -1.26 -1.21 117.35 124.15 1uuz s TYR 104 Ca -0.14 -0.51 0.03 0.00 -1.01 0.00 0.00 57.07 55.44 1uuz s TYR 104 Cb -0.17 -1.74 0.01 0.00 -0.11 0.00 0.00 41.96 39.95 1uuz s TYR 104 CO 0.07 -0.09 -0.14 0.50 -1.11 0.00 0.00 175.55 174.78 1uuz s ARG 105 N -0.06 1.74 -0.10 -0.62 3.52 -0.30 -4.97 118.95 118.16 1uuz s ARG 105 Ca -0.03 -0.48 -0.03 0.00 -0.13 0.00 0.00 55.73 55.06 1uuz s ARG 105 Cb -0.14 -1.45 -0.03 0.00 -1.56 0.00 0.00 34.95 31.76 1uuz s ARG 105 CO 0.04 0.10 0.01 -1.58 -0.81 0.00 0.00 175.30 173.06 1uuz s TRP 106 N 0.45 3.20 0.03 5.12 0.52 -1.26 -0.46 118.94 126.53 1uuz s TRP 106 Ca -0.11 0.20 0.08 0.00 0.02 0.00 0.00 56.10 56.28 1uuz s TRP 106 Cb -0.14 -1.82 -0.02 0.00 -1.15 0.00 0.00 33.47 30.33 1uuz s TRP 106 CO 0.03 0.46 -0.23 0.71 0.02 0.00 0.00 176.95 177.94 1uuz s TYR 107 N -0.79 2.03 0.00 -1.98 1.51 0.14 -4.74 117.35 113.52 1uuz s TYR 107 Ca 0.12 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.79 1uuz s TYR 107 Cb -0.12 -1.24 0.00 0.00 -0.11 0.00 0.00 41.96 40.49 1uuz s TYR 107 CO 0.02 0.07 0.00 0.41 -1.11 0.00 0.00 175.55 174.94 1uuz n GLY 108 N 2.02 0.82 3.46 0.71 0.00 -1.25 -0.71 105.19 110.24 1uuz n GLY 108 Ca -0.17 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 1uuz n GLY 108 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1uuz n GLU 109 N -2.07 -2.69 -2.01 1.61 -0.58 -1.26 -4.90 120.64 108.73 1uuz n GLU 109 Ca 0.00 0.71 -0.34 0.00 -0.42 0.00 0.00 57.16 57.10 1uuz n GLU 109 Cb 0.00 -5.22 0.03 0.00 -0.57 0.00 0.00 31.44 25.67 1uuz n GLU 109 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1uuz s PRO 110 N -5.19 3.07 0.85 3.49 0.04 -1.26 -5.05 135.00 130.95 1uuz s PRO 110 Ca 0.36 1.54 -0.08 0.00 0.04 0.00 0.00 61.00 62.87 1uuz s PRO 110 Cb -0.08 -1.97 0.18 0.00 0.04 0.00 0.00 34.50 32.67 1uuz s PRO 110 CO 0.79 -1.07 1.17 -1.54 0.04 0.00 0.00 177.00 176.39 1uuz s SER 111 N -2.09 3.60 0.20 6.66 1.04 -1.26 -4.80 113.70 117.05 1uuz s SER 111 Ca 0.71 -0.21 -0.10 0.00 0.48 0.00 0.00 55.95 56.83 1uuz s SER 111 Cb -0.23 0.07 0.26 0.00 0.10 0.00 0.00 66.02 66.22 1uuz s SER 111 CO 0.34 -2.39 1.74 -0.09 0.98 0.00 0.00 173.24 173.83 1uuz h ARG 112 N -1.11 0.38 -0.25 4.02 2.43 -1.99 -1.29 114.38 116.57 1uuz h ARG 112 Ca -0.39 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 58.64 1uuz h ARG 112 Cb 1.24 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1uuz h ARG 112 CO 0.35 0.25 -0.35 1.96 -1.51 0.00 0.00 179.97 180.68 1uuz h GLN 113 N 0.39 0.54 -0.25 0.20 4.20 -1.99 -1.50 115.11 116.69 1uuz h GLN 113 Ca 0.29 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.65 1uuz h GLN 113 Cb 0.35 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.12 1uuz h GLN 113 CO -0.30 0.81 -0.27 0.28 -0.67 0.00 0.00 178.83 178.69 1uuz h VAL 114 N 0.46 1.31 -0.76 -0.54 2.07 -1.86 -1.15 116.25 115.78 1uuz h VAL 114 Ca 0.05 -1.44 0.08 0.00 0.82 0.00 0.00 66.70 66.21 1uuz h VAL 114 Cb 0.82 1.66 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1uuz h VAL 114 CO 0.07 0.45 0.42 0.03 0.02 0.00 0.00 177.57 178.56 1uuz h ARG 115 N 0.34 0.71 -0.67 1.57 3.08 -1.14 -1.16 114.38 117.12 1uuz h ARG 115 Ca 0.04 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1uuz h ARG 115 Cb 0.83 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.69 1uuz h ARG 115 CO 0.07 0.47 0.34 1.49 -1.07 0.00 0.00 179.97 181.27 1uuz h GLU 116 N 0.74 0.95 -0.61 0.04 4.81 -1.03 -0.32 114.58 119.15 1uuz h GLU 116 Ca 0.36 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.48 1uuz h GLU 116 Cb 0.29 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1uuz h GLU 116 CO -0.23 0.74 0.39 -0.07 -0.73 0.00 0.00 179.01 179.11 1uuz h LEU 117 N 0.92 0.65 -0.41 1.64 3.38 -0.16 -0.56 115.31 120.77 1uuz h LEU 117 Ca 0.23 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 58.06 1uuz h LEU 117 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1uuz h LEU 117 CO -0.03 0.46 -0.26 -0.07 0.09 0.00 0.00 178.44 178.63 1uuz h LEU 118 N 0.78 0.94 -0.99 1.67 3.38 -0.93 -2.12 115.31 118.03 1uuz h LEU 118 Ca 0.23 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1uuz h LEU 118 Cb -0.03 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.44 1uuz h LEU 118 CO -0.08 1.16 -0.16 0.24 0.09 0.00 0.00 178.44 179.69 1uuz h MET 119 N 0.72 0.54 -0.58 1.13 2.86 -0.83 -2.27 114.93 116.49 1uuz h MET 119 Ca 0.08 -0.17 -0.09 0.00 -2.06 0.00 0.00 59.70 57.46 1uuz h MET 119 Cb 0.84 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1uuz h MET 119 CO 0.07 0.68 0.01 -0.22 1.06 0.00 0.00 176.91 178.52 1uuz h LYS 120 N 0.49 1.00 -0.41 1.72 1.63 -0.98 -0.49 116.57 119.53 1uuz h LYS 120 Ca 0.08 -0.30 -0.01 0.00 -0.85 0.00 0.00 60.65 59.58 1uuz h LYS 120 Cb 0.57 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 32.08 1uuz h LYS 120 CO 0.04 0.98 0.22 0.37 -3.45 0.00 0.00 179.45 177.61 1uuz h GLN 121 N 0.92 0.58 -0.25 1.90 5.75 -1.03 -2.39 115.11 120.59 1uuz h GLN 121 Ca 0.17 -0.07 0.00 0.00 -0.15 0.00 0.00 58.65 58.60 1uuz h GLN 121 Cb 0.52 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 1uuz h GLN 121 CO 0.03 0.47 0.16 1.25 -2.65 0.00 0.00 178.83 178.08 1uuz h LEU 122 N 0.53 0.29 0.00 -2.39 5.85 -1.07 -2.28 115.31 116.24 1uuz h LEU 122 Ca 0.14 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1uuz h LEU 122 Cb 0.06 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.02 1uuz h LEU 122 CO -0.02 0.23 0.00 -0.62 -0.34 0.00 0.00 178.44 177.68 1uuz n GLU 123 N -4.90 0.34 0.00 1.25 1.02 -0.22 -2.01 120.64 116.11 1uuz n GLU 123 Ca -0.02 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.29 1uuz n GLU 123 Cb 0.04 -1.50 0.39 0.00 -0.02 0.00 0.00 31.44 30.34 1uuz n GLU 123 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1uuz n SER 124 N -1.08 0.34 -4.68 1.62 3.41 -0.86 -4.80 113.62 107.58 1uuz n SER 124 Ca 0.09 -0.01 -0.42 0.00 -0.26 0.00 0.00 58.87 58.26 1uuz n SER 124 Cb 0.06 -0.01 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 1uuz n SER 124 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1uuz s ASP 125 N -2.98 6.87 0.55 4.04 3.68 -0.85 -4.88 116.67 123.09 1uuz s ASP 125 Ca 0.13 1.99 0.33 0.00 2.13 0.00 0.00 52.55 57.12 1uuz s ASP 125 Cb 0.18 -2.55 1.49 0.00 -1.45 0.00 0.00 42.92 40.59 1uuz s ASP 125 CO 0.64 -0.75 1.84 -0.65 0.13 0.00 0.00 175.17 176.37 1uuz h PRO 126 N 8.22 0.00 -0.13 4.34 0.11 -1.91 -0.10 132.00 142.53 1uuz h PRO 126 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 1uuz h PRO 126 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1uuz h PRO 126 CO 0.93 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.81 1uuz n ASN 127 N -4.13 2.06 0.19 -2.05 3.02 -1.26 -4.24 115.26 108.84 1uuz n ASN 127 Ca 0.20 -1.73 0.14 0.00 -0.03 0.00 0.00 54.58 53.16 1uuz n ASN 127 Cb 1.04 -0.08 0.49 0.00 -0.61 0.00 0.00 39.78 40.62 1uuz n ASN 127 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 1uuz h TRP 128 N 2.92 0.00 -3.54 3.10 2.91 -1.33 -3.44 115.95 116.56 1uuz h TRP 128 Ca 0.00 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 59.95 1uuz h TRP 128 Cb 0.63 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.21 1uuz h TRP 128 CO 0.08 0.00 -0.02 0.15 -1.03 0.00 0.00 178.44 177.62 1uuz s LYS 129 N -3.37 1.76 0.00 2.65 -0.14 -1.26 -4.43 119.74 114.95 1uuz s LYS 129 Ca 0.05 -1.34 0.00 0.00 -1.36 0.00 0.00 55.97 53.32 1uuz s LYS 129 Cb 0.09 0.51 0.00 0.00 -1.68 0.00 0.00 37.83 36.75 1uuz s LYS 129 CO 0.52 -0.76 0.00 -0.11 -0.76 0.00 0.00 175.35 174.24