#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uuz s GLU 2 N 0.00 3.49 0.79 5.31 2.02 -1.26 -5.02 118.70 124.03 1uuz s GLU 2 Ca 0.00 1.33 -0.13 0.00 0.02 0.00 0.00 54.97 56.19 1uuz s GLU 2 Cb 0.00 -2.05 0.07 0.00 0.10 0.00 0.00 34.13 32.25 1uuz s GLU 2 CO 0.00 -0.69 1.19 -0.65 0.02 0.00 0.00 175.26 175.13 1uuz s GLN 3 N -3.63 1.80 0.59 1.61 -1.52 -1.26 -4.92 119.66 112.33 1uuz s GLN 3 Ca 0.66 1.68 -0.19 0.00 -1.95 0.00 0.00 55.36 55.57 1uuz s GLN 3 Cb -0.17 -1.80 -0.03 0.00 -0.22 0.00 0.00 33.01 30.78 1uuz s GLN 3 CO 0.29 -2.08 1.22 -1.25 -0.25 0.00 0.00 175.29 173.22 1uuz s PRO 4 N -4.18 2.95 0.75 2.91 0.04 -1.26 -4.15 135.00 132.07 1uuz s PRO 4 Ca 0.72 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.59 1uuz s PRO 4 Cb -0.27 -1.94 0.13 0.00 0.04 0.00 0.00 34.50 32.46 1uuz s PRO 4 CO 0.50 -1.23 1.03 1.03 0.04 0.00 0.00 177.00 178.37 1uuz s ARG 5 N -3.31 1.57 0.13 4.56 0.52 -1.26 -0.98 118.95 120.17 1uuz s ARG 5 Ca 0.78 -1.00 -0.27 0.00 -0.52 0.00 0.00 55.73 54.72 1uuz s ARG 5 Cb -0.31 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 32.84 1uuz s ARG 5 CO 0.34 -1.56 1.62 1.25 0.02 0.00 0.00 175.30 176.97 1uuz h LEU 6 N -0.67 -0.89 -1.79 2.53 5.85 -1.83 -2.17 115.31 116.35 1uuz h LEU 6 Ca -0.38 0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1uuz h LEU 6 Cb 1.26 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 1uuz h LEU 6 CO 0.41 -0.36 0.20 2.19 -0.34 0.00 0.00 178.44 180.53 1uuz h PHE 7 N -0.44 0.27 -0.19 1.25 -5.15 -1.94 -1.55 116.94 109.19 1uuz h PHE 7 Ca 0.07 0.01 -0.18 0.00 -0.20 0.00 0.00 57.97 57.66 1uuz h PHE 7 Cb 0.53 -0.09 -0.00 0.00 0.22 0.00 0.00 35.95 36.61 1uuz h PHE 7 CO -0.33 0.16 -0.62 0.93 -2.00 0.00 0.00 178.31 176.45 1uuz h GLU 8 N 0.28 0.66 -0.59 6.09 5.08 -1.85 -2.93 114.58 121.32 1uuz h GLU 8 Ca 0.12 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 57.96 1uuz h GLU 8 Cb 0.15 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1uuz h GLU 8 CO -0.03 1.07 0.07 -0.07 -1.00 0.00 0.00 179.01 179.06 1uuz h LEU 9 N 0.49 0.95 0.00 1.33 3.38 -0.69 -2.05 115.31 118.72 1uuz h LEU 9 Ca -0.01 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1uuz h LEU 9 Cb 1.20 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1uuz h LEU 9 CO 0.12 0.99 0.00 0.18 0.09 0.00 0.00 178.44 179.82 1uuz n LEU 10 N -4.29 0.00 0.09 1.67 4.77 -0.67 -1.79 117.00 116.79 1uuz n LEU 10 Ca 0.03 0.05 0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1uuz n LEU 10 Cb 0.29 -0.05 0.29 0.00 -2.33 0.00 0.00 43.42 41.62 1uuz n LEU 10 CO 0.42 -0.03 0.65 1.23 -1.33 0.00 0.00 177.39 178.34 1uuz h GLY 11 N 2.31 0.00 -5.57 -0.72 0.00 -1.19 -3.40 103.07 94.51 1uuz h GLY 11 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1uuz h GLY 11 CO 0.00 0.00 -0.24 1.20 0.00 0.00 0.00 176.54 177.50 1uuz s GLN 12 N -3.14 4.19 0.30 4.80 -0.21 -0.74 -4.99 119.66 119.87 1uuz s GLN 12 Ca 0.09 0.28 0.05 0.00 0.02 0.00 0.00 55.36 55.80 1uuz s GLN 12 Cb 0.12 -3.38 0.75 0.00 1.00 0.00 0.00 33.01 31.51 1uuz s GLN 12 CO 0.65 0.32 1.72 -1.00 -2.12 0.00 0.00 175.29 174.87 1uuz h PRO 13 N 6.23 0.50 0.34 2.91 0.13 -1.87 -1.07 132.00 139.17 1uuz h PRO 13 Ca -0.44 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1uuz h PRO 13 Cb 1.18 -0.11 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 1uuz h PRO 13 CO 0.72 0.33 -0.19 0.78 -0.23 0.00 0.00 178.00 179.41 1uuz h GLY 14 N 0.52 -0.52 1.37 1.56 0.00 -1.94 -1.79 103.07 102.28 1uuz h GLY 14 Ca 0.58 0.21 -0.12 0.00 0.00 0.00 0.00 47.33 47.99 1uuz h GLY 14 CO -0.48 -0.20 -0.27 -0.97 0.00 0.00 0.00 176.54 174.62 1uuz h TYR 15 N -0.50 0.82 -1.00 5.60 0.99 -1.70 -2.40 116.97 118.77 1uuz h TYR 15 Ca -0.04 -0.20 0.01 0.00 2.00 0.00 0.00 58.73 60.50 1uuz h TYR 15 Cb 0.40 -0.19 -0.05 0.00 1.00 0.00 0.00 36.73 37.89 1uuz h TYR 15 CO -0.07 0.91 0.66 -0.22 -0.00 0.00 0.00 178.16 179.43 1uuz h LYS 16 N 0.61 1.31 0.04 4.88 1.63 -1.14 0.24 116.57 124.15 1uuz h LYS 16 Ca 0.08 -0.08 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 1uuz h LYS 16 Cb 0.78 -0.30 0.00 0.00 -0.60 0.00 0.00 32.23 32.11 1uuz h LYS 16 CO 0.06 0.87 -0.02 0.00 -3.45 0.00 0.00 179.45 176.91 1uuz h ALA 17 N 1.36 -0.06 -0.27 5.00 0.00 -1.08 -0.67 119.26 123.55 1uuz h ALA 17 Ca 0.36 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 55.10 1uuz h ALA 17 Cb -0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1uuz h ALA 17 CO -0.08 -0.39 0.04 1.79 0.00 0.00 0.00 179.25 180.61 1uuz h THR 18 N -0.35 1.15 -0.23 0.00 1.35 -1.22 -1.53 112.91 112.08 1uuz h THR 18 Ca -0.01 -0.54 -0.02 0.00 -0.55 0.00 0.00 66.41 65.29 1uuz h THR 18 Cb 0.32 0.91 -0.01 0.00 -1.73 0.00 0.00 68.15 67.63 1uuz h THR 18 CO 0.01 0.19 0.06 -0.25 -0.25 0.00 0.00 175.52 175.27 1uuz h TRP 19 N 0.38 0.38 -0.38 4.73 2.91 -0.74 -1.79 115.95 121.44 1uuz h TRP 19 Ca 0.09 -0.05 -0.02 0.00 1.13 0.00 0.00 58.89 60.04 1uuz h TRP 19 Cb 0.20 -0.11 -0.02 0.00 -0.51 0.00 0.00 29.16 28.72 1uuz h TRP 19 CO 0.01 0.47 0.15 1.25 -1.03 0.00 0.00 178.44 179.28 1uuz h HIS 20 N 0.19 0.58 -0.45 2.65 2.76 -0.64 -2.74 115.15 117.51 1uuz h HIS 20 Ca 0.07 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.21 1uuz h HIS 20 Cb 0.28 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.04 1uuz h HIS 20 CO 0.01 0.52 0.30 0.00 -1.30 0.00 0.00 177.93 177.46 1uuz h ALA 21 N 1.00 1.71 -0.49 5.26 0.00 -1.23 -2.32 119.26 123.18 1uuz h ALA 21 Ca 0.13 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.15 1uuz h ALA 21 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1uuz h ALA 21 CO -0.01 0.26 0.37 1.98 0.00 0.00 0.00 179.25 181.85 1uuz h MET 22 N 0.58 0.00 -0.01 0.00 -1.53 -1.00 -0.59 114.93 112.39 1uuz h MET 22 Ca 0.17 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.43 1uuz h MET 22 Cb -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.02 1uuz h MET 22 CO -0.04 0.00 -0.32 1.19 0.14 0.00 0.00 176.91 177.88 1uuz n PHE 23 N -4.32 0.00 -1.66 1.39 3.01 -0.87 -2.99 117.46 112.01 1uuz n PHE 23 Ca 0.09 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.12 1uuz n PHE 23 Cb 0.58 -0.12 -0.03 0.00 -0.01 0.00 0.00 39.48 39.90 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 -2.56 3.49 0.00 -1.08 2.20 -0.23 -2.61 119.74 118.96 1uuz s LYS 24 Ca 0.22 2.18 0.00 0.00 -0.36 0.00 0.00 55.97 58.01 1uuz s LYS 24 Cb 0.19 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.22 1uuz s LYS 24 CO 0.55 -1.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.26 1uuz n GLY 25 N 5.30 3.10 3.75 5.54 0.00 -1.26 -4.94 105.19 116.68 1uuz n GLY 25 Ca 0.26 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 2.79 0.30 1.61 8.01 -1.07 -5.05 118.70 125.29 1uuz s GLU 26 Ca 0.00 1.79 0.08 0.00 0.01 0.00 0.00 54.97 56.85 1uuz s GLU 26 Cb 0.00 -1.91 -0.06 0.00 -4.31 0.00 0.00 34.13 27.85 1uuz s GLU 26 CO 0.00 -1.34 -0.07 0.45 0.01 0.00 0.00 175.26 174.31 1uuz s SER 27 N -1.74 3.05 -1.54 -0.19 0.15 -1.26 -4.77 113.70 107.40 1uuz s SER 27 Ca 0.76 -1.19 -0.05 0.00 0.70 0.00 0.00 55.95 56.17 1uuz s SER 27 Cb -0.30 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 63.80 1uuz s SER 27 CO 0.36 -0.30 0.58 0.47 1.20 0.00 0.00 173.24 175.56 1uuz n ASP 28 N -0.64 -5.89 -4.69 5.45 10.43 -1.26 -4.92 116.55 115.03 1uuz n ASP 28 Ca -0.05 -0.29 -0.42 0.00 2.57 0.00 0.00 54.79 56.60 1uuz n ASP 28 Cb 0.63 -4.77 -0.03 0.00 1.84 0.00 0.00 41.12 38.80 1uuz n ASP 28 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1uuz s VAL 29 N -3.15 3.47 0.45 2.53 1.01 -1.26 -4.95 120.40 118.49 1uuz s VAL 29 Ca 0.31 0.89 -0.24 0.00 0.00 0.00 0.00 61.98 62.93 1uuz s VAL 29 Cb -0.14 -3.57 -0.09 0.00 0.00 0.00 0.00 36.38 32.58 1uuz s VAL 29 CO 0.38 0.00 1.15 -2.65 0.00 0.00 0.00 175.10 173.98 1uuz n PRO 30 N 5.36 1.60 -0.25 2.72 -0.02 -1.26 -4.76 135.00 138.39 1uuz n PRO 30 Ca 0.14 0.58 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 1uuz n PRO 30 Cb 0.43 -2.25 0.06 0.00 -0.02 0.00 0.00 33.50 31.71 1uuz n PRO 30 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1uuz h LYS 31 N 1.69 0.91 0.00 -0.52 3.64 -1.99 -0.41 116.57 119.89 1uuz h LYS 31 Ca -0.47 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 58.83 1uuz h LYS 31 Cb 1.32 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.93 1uuz h LYS 31 CO 0.58 0.60 -0.14 0.11 -2.27 0.00 0.00 179.45 178.33 1uuz h TRP 32 N 0.94 0.00 0.01 1.91 5.08 -1.95 -0.57 115.95 121.37 1uuz h TRP 32 Ca 0.26 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.23 1uuz h TRP 32 Cb -0.09 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.07 1uuz h TRP 32 CO -0.03 0.14 -0.00 0.28 -1.28 0.00 0.00 178.44 177.55 1uuz h VAL 33 N 0.00 1.59 -0.55 0.12 2.07 -1.75 -0.02 116.25 117.71 1uuz h VAL 33 Ca -0.00 -2.04 0.09 0.00 0.82 0.00 0.00 66.70 65.56 1uuz h VAL 33 Cb 0.32 2.93 -0.07 0.00 -1.52 0.00 0.00 31.29 32.95 1uuz h VAL 33 CO 0.02 0.51 0.16 -1.28 0.02 0.00 0.00 177.57 177.00 1uuz h SER 34 N -0.92 0.11 -0.06 0.57 0.87 -0.76 -1.82 113.55 111.55 1uuz h SER 34 Ca -0.00 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1uuz h SER 34 Cb 0.85 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 1uuz h SER 34 CO 0.00 0.08 0.00 0.47 -0.53 0.00 0.00 176.83 176.85 1uuz n ASP 35 N -5.05 1.22 -3.64 6.23 8.00 -0.25 -4.93 116.55 118.13 1uuz n ASP 35 Ca 0.07 -1.49 -0.24 0.00 0.71 0.00 0.00 54.79 53.84 1uuz n ASP 35 Cb 0.26 -0.03 0.07 0.00 -0.02 0.00 0.00 41.12 41.40 1uuz n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uuz n ALA 36 N -0.02 -1.47 -1.93 2.24 0.00 -0.68 -4.98 120.51 113.67 1uuz n ALA 36 Ca 0.18 0.25 -0.26 0.00 0.00 0.00 0.00 53.44 53.61 1uuz n ALA 36 Cb 0.29 -4.56 0.08 0.00 0.00 0.00 0.00 19.45 15.25 1uuz n ALA 36 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1uuz s SER 37 N -3.56 4.70 0.00 0.00 0.01 -0.05 -4.77 113.70 110.02 1uuz s SER 37 Ca 0.47 0.49 0.00 0.00 1.31 0.00 0.00 55.95 58.22 1uuz s SER 37 Cb -0.21 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.93 1uuz s SER 37 CO 0.76 -1.69 0.00 0.61 0.41 0.00 0.00 173.24 173.32 1uuz n GLY 38 N -3.02 -0.18 3.74 3.44 0.00 -1.26 -4.28 105.19 103.64 1uuz n GLY 38 Ca 0.08 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.88 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 -0.13 2.61 -3.77 1.61 -0.02 -1.23 -4.68 135.00 129.38 1uuz n PRO 39 Ca 0.00 0.92 -0.13 0.00 -2.02 0.00 0.00 63.50 62.28 1uuz n PRO 39 Cb 0.00 -2.68 -0.13 0.00 -0.02 0.00 0.00 33.50 30.68 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 0.33 -0.22 0.24 2.55 0.15 -1.26 -2.61 113.70 112.88 1uuz s SER 40 Ca 0.62 0.43 0.07 0.00 0.70 0.00 0.00 55.95 57.77 1uuz s SER 40 Cb -0.51 0.38 -0.04 0.00 -1.71 0.00 0.00 66.02 64.14 1uuz s SER 40 CO 0.52 -0.11 0.18 -0.94 1.20 0.00 0.00 173.24 174.08 1uuz s SER 41 N 0.63 5.45 0.17 5.45 1.04 -1.26 -4.90 113.70 120.28 1uuz s SER 41 Ca -0.04 -0.27 -0.31 0.00 0.48 0.00 0.00 55.95 55.81 1uuz s SER 41 Cb -0.06 -1.36 -0.17 0.00 0.10 0.00 0.00 66.02 64.53 1uuz s SER 41 CO -0.03 -0.02 0.83 -2.65 0.98 0.00 0.00 173.24 172.35 1uuz n PRO 42 N -1.07 0.46 -1.30 4.02 -0.02 -1.26 -4.58 135.00 131.25 1uuz n PRO 42 Ca -0.08 0.16 -0.29 0.00 -2.02 0.00 0.00 63.50 61.27 1uuz n PRO 42 Cb 0.58 -1.42 0.15 0.00 -0.02 0.00 0.00 33.50 32.79 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 -0.53 3.28 0.20 2.55 0.01 -0.16 -4.93 113.70 114.12 1uuz s SER 43 Ca 0.70 1.25 0.07 0.00 1.31 0.00 0.00 55.95 59.28 1uuz s SER 43 Cb -0.94 -1.92 -0.05 0.00 0.21 0.00 0.00 66.02 63.32 1uuz s SER 43 CO 0.56 -2.73 -0.13 0.42 0.41 0.00 0.00 173.24 171.77 1uuz s THR 44 N -3.04 1.61 0.02 1.44 -4.23 -0.54 -4.66 115.64 106.24 1uuz s THR 44 Ca 0.64 -2.18 0.02 0.00 -1.18 0.00 0.00 61.69 58.99 1uuz s THR 44 Cb -0.17 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.61 1uuz s THR 44 CO 0.56 -0.61 0.01 -0.44 -0.54 0.00 0.00 174.62 173.60 1uuz s SER 45 N -3.29 5.19 0.04 3.99 0.01 -1.26 -0.22 113.70 118.15 1uuz s SER 45 Ca 0.22 -0.02 -0.27 0.00 1.31 0.00 0.00 55.95 57.18 1uuz s SER 45 Cb 0.00 -1.35 0.08 0.00 0.21 0.00 0.00 66.02 64.96 1uuz s SER 45 CO 0.06 0.25 0.68 -0.22 0.41 0.00 0.00 173.24 174.42 1uuz s LEU 46 N -1.78 -0.58 -0.01 2.44 0.20 -0.78 -4.97 118.68 113.21 1uuz s LEU 46 Ca 0.22 0.32 0.08 0.00 0.69 0.00 0.00 54.13 55.44 1uuz s LEU 46 Cb -0.12 2.47 -0.02 0.00 -0.43 0.00 0.00 46.19 48.10 1uuz s LEU 46 CO 0.13 -0.75 -0.25 -0.44 -0.29 0.00 0.00 176.35 174.75 1uuz s SER 47 N -1.98 2.97 -0.09 3.68 0.01 -1.26 0.36 113.70 117.39 1uuz s SER 47 Ca -0.04 -0.47 -0.01 0.00 1.31 0.00 0.00 55.95 56.74 1uuz s SER 47 Cb -0.01 -0.32 0.03 0.00 0.21 0.00 0.00 66.02 65.93 1uuz s SER 47 CO -0.02 0.30 -0.02 -0.22 0.41 0.00 0.00 173.24 173.69 1uuz s LEU 48 N -0.65 0.77 -1.50 2.44 2.96 -0.10 -4.81 118.68 117.80 1uuz s LEU 48 Ca 0.10 -0.16 -0.10 0.00 -0.22 0.00 0.00 54.13 53.75 1uuz s LEU 48 Cb -0.10 -0.56 0.07 0.00 0.50 0.00 0.00 46.19 46.10 1uuz s LEU 48 CO -0.01 -0.17 0.84 -0.62 -1.32 0.00 0.00 176.35 175.08 1uuz n GLU 49 N 5.08 -4.88 -0.88 1.98 1.02 -1.26 -1.00 120.64 120.71 1uuz n GLU 49 Ca -0.09 0.55 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1uuz n GLU 49 Cb 0.50 -5.28 0.00 0.00 -0.02 0.00 0.00 31.44 26.64 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 -1.66 1.17 3.48 0.62 0.00 -1.26 -5.03 105.19 102.51 1uuz n GLY 50 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.02 3.66 0.29 1.61 -1.52 -0.17 -5.09 119.66 118.41 1uuz s GLN 51 Ca 0.00 -0.51 -0.29 0.00 -1.95 0.00 0.00 55.36 52.60 1uuz s GLN 51 Cb 0.00 -3.02 -0.10 0.00 -0.22 0.00 0.00 33.01 29.68 1uuz s GLN 51 CO 0.00 0.12 1.15 -1.25 -0.25 0.00 0.00 175.29 175.06 1uuz s PRO 52 N 0.70 4.57 0.10 2.91 0.04 -1.26 -0.92 135.00 141.14 1uuz s PRO 52 Ca -0.01 1.90 0.04 0.00 0.04 0.00 0.00 61.00 62.97 1uuz s PRO 52 Cb -0.14 -3.16 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1uuz s PRO 52 CO 0.02 0.12 -0.10 0.71 0.04 0.00 0.00 177.00 177.79 1uuz s TYR 53 N -1.13 1.04 -0.15 0.56 1.51 0.16 0.46 117.35 119.78 1uuz s TYR 53 Ca 0.46 -0.67 0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1uuz s TYR 53 Cb -0.34 -0.57 0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1uuz s TYR 53 CO 0.44 -0.01 -0.20 0.08 -1.11 0.00 0.00 175.55 174.74 1uuz s VAL 54 N -2.48 1.99 -0.29 0.71 1.01 0.34 -1.86 120.40 119.82 1uuz s VAL 54 Ca 0.05 -0.91 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1uuz s VAL 54 Cb -0.03 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1uuz s VAL 54 CO -0.00 0.53 0.16 -0.76 0.00 0.00 0.00 175.10 175.03 1uuz s LEU 55 N 1.07 3.98 0.34 3.92 1.43 0.69 -0.42 118.68 129.69 1uuz s LEU 55 Ca -0.01 -0.22 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1uuz s LEU 55 Cb -0.14 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1uuz s LEU 55 CO -0.07 -0.10 0.15 0.00 0.23 0.00 0.00 176.35 176.56 1uuz s ALA 56 N 1.69 3.52 0.06 4.21 0.00 0.18 -1.47 121.76 129.94 1uuz s ALA 56 Ca 0.06 -1.84 -0.05 0.00 0.00 0.00 0.00 51.96 50.14 1uuz s ALA 56 Cb -0.16 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 1uuz s ALA 56 CO 0.08 0.02 0.08 0.54 0.00 0.00 0.00 175.76 176.49 1uuz s ASN 57 N -3.86 0.25 0.21 0.00 2.20 -1.26 -0.98 114.94 111.50 1uuz s ASN 57 Ca 0.38 -0.70 -0.23 0.00 -0.94 0.00 0.00 52.86 51.37 1uuz s ASN 57 Cb -0.02 0.25 0.04 0.00 -2.00 0.00 0.00 41.25 39.52 1uuz s ASN 57 CO 0.23 -0.59 0.78 -0.94 -2.94 0.00 0.00 177.10 173.63 1uuz s SER 58 N -2.55 -0.29 0.14 3.54 1.04 -0.48 -4.38 113.70 110.72 1uuz s SER 58 Ca 0.01 -0.43 -0.17 0.00 0.48 0.00 0.00 55.95 55.84 1uuz s SER 58 Cb 0.03 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.81 1uuz s SER 58 CO -0.08 -1.13 0.44 0.00 0.98 0.00 0.00 173.24 173.46 1uuz s LYS 60 N -3.81 4.27 -0.02 0.00 2.20 -0.06 -3.53 119.74 118.80 1uuz s LYS 60 Ca 0.04 2.21 -0.36 0.00 -0.36 0.00 0.00 55.97 57.50 1uuz s LYS 60 Cb 0.01 -3.21 -0.14 0.00 -1.51 0.00 0.00 37.83 32.98 1uuz s LYS 60 CO -0.11 -0.52 1.63 -2.30 -0.36 0.00 0.00 175.35 173.70 1uuz n PRO 61 N 3.97 1.69 -1.08 4.03 -0.02 -1.26 -1.38 135.00 140.95 1uuz n PRO 61 Ca 0.13 0.61 -0.03 0.00 -2.02 0.00 0.00 63.50 62.19 1uuz n PRO 61 Cb 0.41 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.52 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 4.45 0.00 -2.71 6.00 8.25 -1.26 -4.72 115.22 125.23 1uuz n HIS 62 Ca 0.21 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.63 1uuz n HIS 62 Cb 0.23 -1.54 0.10 0.00 1.12 0.00 0.00 29.99 29.90 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 -0.58 -0.64 0.10 0.41 -0.08 -0.48 -5.01 116.55 110.27 1uuz n ASP 63 Ca -0.03 -2.29 -0.13 0.00 -1.51 0.00 0.00 54.79 50.84 1uuz n ASP 63 Cb 0.35 0.40 -0.08 0.00 2.34 0.00 0.00 41.12 44.13 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 -0.21 0.54 0.64 0.00 0.00 -1.95 -2.90 103.07 99.19 1uuz h GLY 65 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1uuz h GLY 65 CO 0.03 -0.00 -0.11 0.70 0.00 0.00 0.00 176.54 177.16 1uuz n ASN 66 N -5.04 0.64 -3.50 0.19 3.02 -1.23 -4.65 115.26 104.70 1uuz n ASN 66 Ca 0.03 -0.77 -0.27 0.00 -0.03 0.00 0.00 54.58 53.54 1uuz n ASN 66 Cb 0.18 -0.03 -0.14 0.00 -0.61 0.00 0.00 39.78 39.18 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 -2.38 3.12 0.21 6.41 -0.87 -0.99 -0.93 114.94 119.51 1uuz s ASN 67 Ca 0.31 -1.34 0.10 0.00 -1.57 0.00 0.00 52.86 50.36 1uuz s ASN 67 Cb 0.20 -0.20 -0.05 0.00 -0.02 0.00 0.00 41.25 41.18 1uuz s ASN 67 CO 0.46 -0.41 -0.20 -0.13 -2.57 0.00 0.00 177.10 174.25 1uuz s ARG 68 N 1.98 1.47 -0.04 -0.60 0.52 -0.79 -0.88 118.95 120.61 1uuz s ARG 68 Ca 0.11 -1.57 0.01 0.00 -0.52 0.00 0.00 55.73 53.75 1uuz s ARG 68 Cb -0.17 -1.58 0.02 0.00 0.52 0.00 0.00 34.95 33.74 1uuz s ARG 68 CO -0.30 0.31 -0.04 -1.17 0.02 0.00 0.00 175.30 174.12 1uuz s LEU 69 N -3.00 1.32 -0.08 2.53 2.96 0.28 -0.74 118.68 121.94 1uuz s LEU 69 Ca 0.22 -0.12 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 1uuz s LEU 69 Cb -0.05 -0.43 -0.01 0.00 0.50 0.00 0.00 46.19 46.20 1uuz s LEU 69 CO 0.10 -0.06 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.08 1uuz s LEU 70 N 0.91 2.12 -0.06 -0.68 1.43 -0.24 -1.38 118.68 120.78 1uuz s LEU 70 Ca -0.11 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.50 1uuz s LEU 70 Cb -0.14 -1.41 0.00 0.00 0.03 0.00 0.00 46.19 44.67 1uuz s LEU 70 CO 0.00 0.20 -0.17 -0.69 0.23 0.00 0.00 176.35 175.92 1uuz s VAL 71 N 0.13 1.45 -0.37 -1.59 1.01 -0.15 -0.65 120.40 120.23 1uuz s VAL 71 Ca -0.12 -0.70 -0.05 0.00 0.00 0.00 0.00 61.98 61.11 1uuz s VAL 71 Cb -0.16 -1.26 0.07 0.00 0.00 0.00 0.00 36.38 35.03 1uuz s VAL 71 CO 0.07 0.42 0.14 0.00 0.00 0.00 0.00 175.10 175.73 1uuz s ALA 72 N 0.25 3.07 -0.15 5.51 0.00 0.97 -0.65 121.76 130.77 1uuz s ALA 72 Ca -0.09 -2.06 -0.19 0.00 0.00 0.00 0.00 51.96 49.62 1uuz s ALA 72 Cb -0.14 -2.31 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 1uuz s ALA 72 CO 0.04 -1.52 0.53 -0.06 0.00 0.00 0.00 175.76 174.75 1uuz s PHE 73 N 1.30 3.46 0.20 0.00 0.40 0.44 -1.39 117.98 122.38 1uuz s PHE 73 Ca 0.01 0.90 -0.30 0.00 -0.60 0.00 0.00 56.93 56.93 1uuz s PHE 73 Cb -0.21 -2.64 -0.09 0.00 0.51 0.00 0.00 43.02 40.59 1uuz s PHE 73 CO -0.00 0.04 1.38 0.50 0.70 0.00 0.00 175.22 177.84 1uuz s ARG 74 N 1.09 4.33 0.33 0.44 3.52 -0.27 -0.50 118.95 127.88 1uuz s ARG 74 Ca 0.27 2.15 0.05 0.00 -0.13 0.00 0.00 55.73 58.07 1uuz s ARG 74 Cb -0.16 -3.18 0.68 0.00 -1.56 0.00 0.00 34.95 30.74 1uuz s ARG 74 CO 0.11 -0.36 1.91 0.78 -0.81 0.00 0.00 175.30 176.92 1uuz h GLY 75 N 5.64 1.20 -1.84 8.12 0.00 -0.32 -0.10 103.07 115.77 1uuz h GLY 75 Ca -0.44 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 46.50 1uuz h GLY 75 CO 0.80 0.20 0.05 2.09 0.00 0.00 0.00 176.54 179.68 1uuz n ASP 76 N -4.52 2.40 -4.07 0.19 5.68 -1.26 -4.84 116.55 110.13 1uuz n ASP 76 Ca 0.14 -2.20 -0.34 0.00 -0.50 0.00 0.00 54.79 51.89 1uuz n ASP 76 Cb 0.30 -0.54 -0.07 0.00 -1.14 0.00 0.00 41.12 39.67 1uuz n ASP 76 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1uuz n LYS 77 N 0.17 -0.79 0.01 0.11 5.02 -0.05 -4.78 118.16 117.85 1uuz n LYS 77 Ca 0.07 0.11 -0.02 0.00 -2.02 0.00 0.00 58.31 56.45 1uuz n LYS 77 Cb 0.54 -3.79 -0.10 0.00 -0.02 0.00 0.00 35.03 31.65 1uuz n LYS 77 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1uuz n SER 78 N -2.05 0.81 -3.65 4.39 2.88 -1.26 -4.83 113.62 109.92 1uuz n SER 78 Ca 0.02 0.36 -0.02 0.00 -1.33 0.00 0.00 58.87 57.91 1uuz n SER 78 Cb 0.42 0.18 -0.01 0.00 -0.75 0.00 0.00 64.21 64.05 1uuz n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1uuz s ALA 79 N -2.85 -1.99 0.04 -1.46 0.00 -1.26 -4.99 121.76 109.25 1uuz s ALA 79 Ca -0.04 0.68 0.01 0.00 0.00 0.00 0.00 51.96 52.61 1uuz s ALA 79 Cb 0.08 0.38 -0.03 0.00 0.00 0.00 0.00 23.12 23.56 1uuz s ALA 79 CO 0.82 -0.95 -0.05 0.00 0.00 0.00 0.00 175.76 175.58 1uuz s ALA 80 N -2.76 0.41 0.03 0.00 0.00 -1.26 -1.12 121.76 117.06 1uuz s ALA 80 Ca 0.12 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.32 1uuz s ALA 80 Cb 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.23 1uuz s ALA 80 CO -0.03 -0.13 -0.07 0.71 0.00 0.00 0.00 175.76 176.24 1uuz s TYR 81 N -1.82 0.63 0.09 0.00 1.51 -0.49 -4.60 117.35 112.67 1uuz s TYR 81 Ca -0.09 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.62 1uuz s TYR 81 Cb -0.07 -0.39 -0.04 0.00 -0.11 0.00 0.00 41.96 41.36 1uuz s TYR 81 CO -0.02 -0.05 -0.08 0.20 -1.11 0.00 0.00 175.55 174.49 1uuz s GLY 82 N -1.12 0.74 -0.12 0.71 0.00 -0.37 -0.02 107.32 107.14 1uuz s GLY 82 Ca -0.06 -1.19 -0.02 0.00 0.00 0.00 0.00 44.72 43.46 1uuz s GLY 82 CO 0.00 -1.28 -0.00 -2.27 0.00 0.00 0.00 173.10 169.55 1uuz s LEU 83 N -2.58 0.91 -0.20 0.66 2.96 0.18 -0.58 118.68 120.02 1uuz s LEU 83 Ca 0.06 -0.36 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 1uuz s LEU 83 Cb -0.00 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.07 1uuz s LEU 83 CO -0.02 -0.21 0.07 -1.58 -1.32 0.00 0.00 176.35 173.29 1uuz s GLN 84 N 1.88 3.89 -0.19 1.98 0.74 0.15 -1.08 119.66 127.04 1uuz s GLN 84 Ca 0.03 -0.38 -0.02 0.00 0.05 0.00 0.00 55.36 55.05 1uuz s GLN 84 Cb -0.14 -3.27 -0.00 0.00 1.10 0.00 0.00 33.01 30.70 1uuz s GLN 84 CO -0.07 0.13 -0.10 0.08 -0.55 0.00 0.00 175.29 174.79 1uuz s VAL 85 N 0.76 3.00 -0.10 1.34 1.01 0.08 -1.17 120.40 125.32 1uuz s VAL 85 Ca 0.04 -0.64 0.01 0.00 0.00 0.00 0.00 61.98 61.39 1uuz s VAL 85 Cb -0.13 -2.32 -0.02 0.00 0.00 0.00 0.00 36.38 33.91 1uuz s VAL 85 CO 0.02 0.48 -0.14 -0.44 0.00 0.00 0.00 175.10 175.01 1uuz s SER 86 N 1.12 3.94 0.08 3.32 0.01 0.21 -1.88 113.70 120.51 1uuz s SER 86 Ca 0.01 -0.31 0.09 0.00 1.31 0.00 0.00 55.95 57.05 1uuz s SER 86 Cb -0.14 -1.37 -0.03 0.00 0.21 0.00 0.00 66.02 64.68 1uuz s SER 86 CO -0.03 0.22 -0.24 -0.76 0.41 0.00 0.00 173.24 172.84 1uuz s LEU 87 N 0.04 2.25 0.48 2.44 1.43 -0.11 -0.67 118.68 124.55 1uuz s LEU 87 Ca -0.05 -0.65 -0.18 0.00 -1.03 0.00 0.00 54.13 52.22 1uuz s LEU 87 Cb -0.15 -1.08 -0.09 0.00 0.03 0.00 0.00 46.19 44.90 1uuz s LEU 87 CO 0.04 0.16 0.97 -2.16 0.23 0.00 0.00 176.35 175.60 1uuz s PRO 88 N -1.64 4.05 0.00 1.29 0.04 -1.26 -4.79 135.00 132.69 1uuz s PRO 88 Ca 0.10 1.03 -0.04 0.00 0.04 0.00 0.00 61.00 62.13 1uuz s PRO 88 Cb -0.10 -2.15 -0.19 0.00 0.04 0.00 0.00 34.50 32.11 1uuz s PRO 88 CO 0.04 -0.19 3.07 -3.47 0.04 0.00 0.00 177.00 176.50 1uuz n ASP 89 N -1.21 5.10 -4.09 6.66 4.64 -1.26 -4.65 116.55 121.74 1uuz n ASP 89 Ca 0.07 -2.42 -0.37 0.00 -1.38 0.00 0.00 54.79 50.68 1uuz n ASP 89 Cb 0.54 -1.29 -0.05 0.00 -1.04 0.00 0.00 41.12 39.28 1uuz n ASP 89 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1uuz n GLU 90 N 2.23 2.93 -0.39 -0.67 4.71 -1.26 -4.97 120.64 123.22 1uuz n GLU 90 Ca 0.30 -4.50 -0.10 0.00 -0.01 0.00 0.00 57.16 52.85 1uuz n GLU 90 Cb 0.77 -2.43 -0.02 0.00 -1.01 0.00 0.00 31.44 28.75 1uuz n GLU 90 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1uuz n PRO 91 N 2.18 1.03 0.00 3.49 -0.04 -1.26 -3.43 135.00 136.96 1uuz n PRO 91 Ca 0.23 -0.83 0.00 0.00 -0.04 0.00 0.00 63.50 62.86 1uuz n PRO 91 Cb 0.37 -2.08 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 1uuz n PRO 91 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1uuz n ALA 92 N 4.05 1.00 0.16 0.55 0.00 -1.26 -4.83 120.51 120.17 1uuz n ALA 92 Ca 0.22 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.76 1uuz n ALA 92 Cb 0.14 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.67 1uuz n ALA 92 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1uuz h GLU 93 N 0.00 0.00 -0.04 0.00 3.07 -1.99 -3.22 114.58 112.40 1uuz h GLU 93 Ca 0.00 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 1uuz h GLU 93 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 1uuz h GLU 93 CO 0.00 0.06 -0.25 0.28 -1.40 0.00 0.00 179.01 177.70 1uuz h VAL 94 N 0.00 1.20 0.00 3.13 2.07 -1.84 0.24 116.25 121.04 1uuz h VAL 94 Ca -0.01 -0.95 -0.03 0.00 0.82 0.00 0.00 66.70 66.53 1uuz h VAL 94 Cb 1.07 1.45 -0.00 0.00 -1.52 0.00 0.00 31.29 32.28 1uuz h VAL 94 CO 0.01 0.28 -0.16 -0.03 0.02 0.00 0.00 177.57 177.68 1uuz h MET 95 N 0.06 0.00 0.00 1.57 -1.53 -1.74 -2.71 114.93 110.58 1uuz h MET 95 Ca 0.01 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.27 1uuz h MET 95 Cb 0.48 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.53 1uuz h MET 95 CO 0.03 0.16 -0.54 0.00 0.14 0.00 0.00 176.91 176.71 1uuz n GLN 96 N -3.45 3.78 -2.95 0.39 10.64 -0.80 -4.74 117.38 120.26 1uuz n GLN 96 Ca -0.01 -0.01 -0.16 0.00 -1.83 0.00 0.00 57.00 54.99 1uuz n GLN 96 Cb 0.34 -0.88 -0.01 0.00 -0.86 0.00 0.00 30.24 28.83 1uuz n GLN 96 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.06 175.48 1uuz n THR 97 N -1.29 0.56 -0.15 -0.39 -2.24 0.77 -4.55 114.28 106.98 1uuz n THR 97 Ca 0.01 -4.09 -0.09 0.00 -2.27 0.00 0.00 64.05 57.61 1uuz n THR 97 Cb 0.11 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.28 1uuz n THR 97 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1uuz h PRO 98 N 2.98 -0.28 -0.82 -0.78 0.11 -1.61 -1.12 132.00 130.48 1uuz h PRO 98 Ca 0.04 0.02 0.24 0.00 0.11 0.00 0.00 66.00 66.40 1uuz h PRO 98 Cb 1.02 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 1uuz h PRO 98 CO 0.53 -0.19 0.67 0.66 -0.21 0.00 0.00 178.00 179.46 1uuz h SER 99 N -0.29 0.00 1.24 -2.05 4.64 -1.89 0.77 113.55 115.96 1uuz h SER 99 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1uuz h SER 99 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1uuz h SER 99 CO -0.61 0.00 0.00 0.50 -0.87 0.00 0.00 176.83 175.85 1uuz h LYS 100 N 0.00 0.00 0.00 4.77 3.64 -1.53 -3.26 116.57 120.19 1uuz h LYS 100 Ca 0.39 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.77 1uuz h LYS 100 Cb 1.73 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.55 1uuz h LYS 100 CO -0.00 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.84 1uuz n TYR 101 N -2.69 0.00 -2.27 1.91 4.02 0.15 -5.07 117.16 113.21 1uuz n TYR 101 Ca 0.03 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.54 1uuz n TYR 101 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.66 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 -0.57 3.12 -0.08 -0.72 0.00 -0.50 -4.54 121.76 118.46 1uuz s ALA 102 Ca 0.00 0.98 0.03 0.00 0.00 0.00 0.00 51.96 52.97 1uuz s ALA 102 Cb 0.00 -3.39 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 1uuz s ALA 102 CO 0.00 -0.58 -0.18 0.99 0.00 0.00 0.00 175.76 175.99 1uuz s THR 103 N -1.43 2.68 -0.02 0.00 2.01 0.16 -4.96 115.64 114.08 1uuz s THR 103 Ca 0.59 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.83 1uuz s THR 103 Cb -0.31 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.12 1uuz s THR 103 CO 0.38 0.56 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.32 1uuz s TYR 104 N -0.09 2.39 -0.05 4.92 1.51 -1.26 -0.62 117.35 124.16 1uuz s TYR 104 Ca -0.04 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.66 1uuz s TYR 104 Cb -0.14 -1.51 0.01 0.00 -0.11 0.00 0.00 41.96 40.21 1uuz s TYR 104 CO 0.04 0.02 -0.11 0.50 -1.11 0.00 0.00 175.55 174.89 1uuz s ARG 105 N -0.73 1.41 -0.03 -0.62 3.52 -0.31 -4.98 118.95 117.22 1uuz s ARG 105 Ca 0.11 -0.39 -0.00 0.00 -0.13 0.00 0.00 55.73 55.31 1uuz s ARG 105 Cb -0.10 -1.23 -0.04 0.00 -1.56 0.00 0.00 34.95 32.02 1uuz s ARG 105 CO -0.00 0.09 0.03 -1.58 -0.81 0.00 0.00 175.30 173.02 1uuz s TRP 106 N 0.42 3.18 -0.01 5.12 0.52 -1.26 -0.67 118.94 126.24 1uuz s TRP 106 Ca -0.09 0.17 0.06 0.00 0.02 0.00 0.00 56.10 56.26 1uuz s TRP 106 Cb -0.13 -1.73 -0.02 0.00 -1.15 0.00 0.00 33.47 30.44 1uuz s TRP 106 CO 0.02 0.50 -0.21 0.71 0.02 0.00 0.00 176.95 178.00 1uuz s TYR 107 N -1.06 1.85 0.00 -1.98 1.51 0.26 -4.77 117.35 113.15 1uuz s TYR 107 Ca 0.19 -0.35 0.00 0.00 -1.01 0.00 0.00 57.07 55.89 1uuz s TYR 107 Cb -0.12 -1.18 0.00 0.00 -0.11 0.00 0.00 41.96 40.55 1uuz s TYR 107 CO 0.09 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 174.92 1uuz n GLY 108 N 2.48 0.69 3.71 0.71 0.00 -1.16 -1.24 105.19 110.38 1uuz n GLY 108 Ca -0.15 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.59 -3.31 -1.90 1.61 1.02 -1.26 -4.90 120.64 109.30 1uuz n GLU 109 Ca 0.00 0.55 -0.39 0.00 -0.02 0.00 0.00 57.16 57.30 1uuz n GLU 109 Cb 0.00 -4.79 0.02 0.00 -0.02 0.00 0.00 31.44 26.64 1uuz n GLU 109 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1uuz s PRO 110 N -5.97 3.62 0.91 3.49 0.04 -1.26 -5.01 135.00 130.82 1uuz s PRO 110 Ca 0.17 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.34 1uuz s PRO 110 Cb -0.05 -2.55 0.14 0.00 0.04 0.00 0.00 34.50 32.07 1uuz s PRO 110 CO 0.84 -0.81 1.10 -1.54 0.04 0.00 0.00 177.00 176.63 1uuz s SER 111 N -0.76 3.43 0.27 6.66 1.04 -1.26 -4.71 113.70 118.37 1uuz s SER 111 Ca 0.63 1.25 -0.00 0.00 0.48 0.00 0.00 55.95 58.30 1uuz s SER 111 Cb -0.40 -1.91 0.53 0.00 0.10 0.00 0.00 66.02 64.34 1uuz s SER 111 CO 0.50 -2.63 1.79 -0.09 0.98 0.00 0.00 173.24 173.79 1uuz h ARG 112 N -1.55 0.74 -0.34 4.02 2.43 -1.99 0.70 114.38 118.40 1uuz h ARG 112 Ca -0.51 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 58.60 1uuz h ARG 112 Cb 1.30 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1uuz h ARG 112 CO 0.58 0.49 0.16 0.37 -1.51 0.00 0.00 179.97 180.06 1uuz h GLN 113 N 0.77 0.49 -0.34 0.20 5.75 -1.99 -0.36 115.11 119.61 1uuz h GLN 113 Ca 0.47 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.80 1uuz h GLN 113 Cb 0.58 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 29.03 1uuz h GLN 113 CO -0.32 0.45 -0.18 0.28 -2.65 0.00 0.00 178.83 176.42 1uuz h VAL 114 N 0.41 1.26 -0.55 2.39 2.07 -1.65 -1.45 116.25 118.72 1uuz h VAL 114 Ca 0.12 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.41 1uuz h VAL 114 Cb 0.13 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 1uuz h VAL 114 CO -0.01 0.40 0.27 0.03 0.02 0.00 0.00 177.57 178.28 1uuz h ARG 115 N 0.57 0.79 -0.52 1.57 3.08 -0.54 -0.87 114.38 118.47 1uuz h ARG 115 Ca 0.09 -0.11 0.02 0.00 0.07 0.00 0.00 59.98 60.04 1uuz h ARG 115 Cb 0.62 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 1uuz h ARG 115 CO 0.04 0.64 0.32 0.93 -1.07 0.00 0.00 179.97 180.84 1uuz h GLU 116 N 0.75 0.62 -0.36 0.04 4.39 -0.68 -0.59 114.58 118.76 1uuz h GLU 116 Ca 0.19 -0.04 0.04 0.00 0.34 0.00 0.00 59.36 59.89 1uuz h GLU 116 Cb 0.11 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 1uuz h GLU 116 CO -0.03 0.41 0.14 1.25 -1.16 0.00 0.00 179.01 179.63 1uuz h LEU 117 N 0.64 0.17 -0.41 1.33 6.46 -0.76 -0.25 115.31 122.49 1uuz h LEU 117 Ca 0.20 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 1uuz h LEU 117 Cb -0.01 0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 39.92 1uuz h LEU 117 CO -0.07 0.13 -0.16 -0.07 -0.62 0.00 0.00 178.44 177.64 1uuz h LEU 118 N 0.30 0.86 -0.89 2.25 3.38 -0.82 -2.42 115.31 117.97 1uuz h LEU 118 Ca 0.16 -0.39 -0.04 0.00 0.09 0.00 0.00 57.88 57.70 1uuz h LEU 118 Cb 0.12 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.60 1uuz h LEU 118 CO -0.15 1.06 0.35 0.24 0.09 0.00 0.00 178.44 180.02 1uuz h MET 119 N 0.66 1.16 -0.57 1.13 2.86 -0.87 -1.58 114.93 117.71 1uuz h MET 119 Ca 0.10 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1uuz h MET 119 Cb 0.72 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 32.15 1uuz h MET 119 CO 0.05 0.91 0.20 -0.22 1.06 0.00 0.00 176.91 178.92 1uuz h LYS 120 N 1.14 0.83 -0.34 1.72 3.64 -0.92 -0.07 116.57 122.57 1uuz h LYS 120 Ca 0.27 -0.14 -0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1uuz h LYS 120 Cb 0.16 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 1uuz h LYS 120 CO -0.03 0.70 0.00 0.37 -2.27 0.00 0.00 179.45 178.23 1uuz h GLN 121 N 0.82 0.61 -0.31 1.90 5.75 -0.90 -2.18 115.11 120.80 1uuz h GLN 121 Ca 0.19 -0.19 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 1uuz h GLN 121 Cb 0.20 -0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.68 1uuz h GLN 121 CO -0.01 0.73 0.18 1.25 -2.65 0.00 0.00 178.83 178.32 1uuz h LEU 122 N 0.42 0.30 -0.75 -2.39 5.85 -0.81 -2.00 115.31 115.93 1uuz h LEU 122 Ca 0.10 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1uuz h LEU 122 Cb 0.45 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.42 1uuz h LEU 122 CO 0.02 0.22 0.00 -0.62 -0.34 0.00 0.00 178.44 177.72 1uuz n GLU 123 N -4.91 0.11 0.16 1.25 1.02 -0.08 -1.84 120.64 116.35 1uuz n GLU 123 Ca -0.01 0.50 0.13 0.00 -0.02 0.00 0.00 57.16 57.76 1uuz n GLU 123 Cb 0.05 -1.78 0.51 0.00 -0.02 0.00 0.00 31.44 30.20 1uuz n GLU 123 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1uuz h SER 124 N 0.00 0.00 -2.43 1.62 4.64 -0.70 -3.44 113.55 113.23 1uuz h SER 124 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1uuz h SER 124 Cb 0.14 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.26 1uuz h SER 124 CO 0.00 0.00 1.18 -0.67 -0.87 0.00 0.00 176.83 176.47 1uuz n ASP 125 N -2.45 4.14 -0.20 4.97 4.64 -0.77 -4.84 116.55 122.04 1uuz n ASP 125 Ca 0.02 0.94 0.30 0.00 -1.38 0.00 0.00 54.79 54.68 1uuz n ASP 125 Cb 0.28 -1.54 0.73 0.00 -1.04 0.00 0.00 41.12 39.55 1uuz n ASP 125 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1uuz h PRO 126 N 9.67 0.00 -0.36 -0.67 0.11 -1.91 0.20 132.00 139.05 1uuz h PRO 126 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1uuz h PRO 126 Cb 1.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1uuz h PRO 126 CO 0.94 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.82 1uuz n ASN 127 N -4.10 2.91 -4.46 -2.05 3.02 -1.26 -4.78 115.26 104.54 1uuz n ASN 127 Ca 0.20 -1.92 -0.44 0.00 -0.03 0.00 0.00 54.58 52.39 1uuz n ASN 127 Cb 1.06 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.98 1uuz n ASN 127 CO 0.00 0.00 0.00 0.86 -2.62 0.00 0.00 177.26 175.50 1uuz s TRP 128 N -1.53 3.12 -1.17 3.10 -0.11 0.06 -4.82 118.94 117.58 1uuz s TRP 128 Ca 0.37 -1.46 -0.12 0.00 1.22 0.00 0.00 56.10 56.12 1uuz s TRP 128 Cb 0.21 -4.32 0.22 0.00 -1.50 0.00 0.00 33.47 28.07 1uuz s TRP 128 CO 0.29 -1.51 1.32 1.63 -4.62 0.00 0.00 176.95 174.06 1uuz n LYS 129 N 6.62 3.47 0.00 5.86 5.02 -1.26 -4.94 118.16 132.92 1uuz n LYS 129 Ca 0.27 -4.10 0.00 0.00 -2.02 0.00 0.00 58.31 52.45 1uuz n LYS 129 Cb 0.48 -2.83 0.00 0.00 -0.02 0.00 0.00 35.03 32.66 1uuz n LYS 129 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77