#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u0q s GLN 3 N 0.00 -0.01 0.01 5.55 -1.52 -1.26 -5.04 119.66 117.38 1u0q s GLN 3 Ca 0.00 0.30 0.07 0.00 -1.95 0.00 0.00 55.36 53.78 1u0q s GLN 3 Cb 0.00 -0.29 -0.03 0.00 -0.22 0.00 0.00 33.01 32.48 1u0q s GLN 3 CO 0.00 -0.21 -0.22 -0.51 -0.25 0.00 0.00 175.29 174.10 1u0q s LEU 4 N 1.42 2.37 -0.08 2.90 1.43 -1.26 -3.32 118.68 122.14 1u0q s LEU 4 Ca -0.05 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.58 1u0q s LEU 4 Cb -0.12 -1.42 0.05 0.00 0.03 0.00 0.00 46.19 44.72 1u0q s LEU 4 CO -0.04 0.29 0.16 -1.58 0.23 0.00 0.00 176.35 175.41 1u0q s GLN 5 N -1.05 0.04 0.36 1.70 2.00 -0.84 -4.26 119.66 117.61 1u0q s GLN 5 Ca 0.12 0.52 -0.03 0.00 -2.00 0.00 0.00 55.36 53.97 1u0q s GLN 5 Cb -0.10 -0.26 -0.04 0.00 0.80 0.00 0.00 33.01 33.41 1u0q s GLN 5 CO 0.02 -0.28 0.62 -1.21 -0.50 0.00 0.00 175.29 173.94 1u0q s GLU 6 N 2.06 3.56 0.23 1.67 8.01 -1.26 -1.29 118.70 131.69 1u0q s GLU 6 Ca 0.01 -0.05 -0.22 0.00 0.01 0.00 0.00 54.97 54.72 1u0q s GLU 6 Cb -0.12 -2.58 0.04 0.00 -4.31 0.00 0.00 34.13 27.16 1u0q s GLU 6 CO -0.06 0.08 0.67 -1.54 0.01 0.00 0.00 175.26 174.42 1u0q s SER 7 N -3.71 -0.37 0.00 -0.19 1.04 -0.31 -4.84 113.70 105.32 1u0q s SER 7 Ca 0.44 -0.39 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1u0q s SER 7 Cb -0.10 0.68 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1u0q s SER 7 CO 0.36 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1u0q n GLY 8 N -0.43 0.62 3.69 7.32 0.00 -1.26 -1.15 105.19 113.98 1u0q n GLY 8 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 1u0q n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u0q s GLY 9 N -2.03 1.79 0.00 -0.02 0.00 -1.26 -4.80 107.32 100.99 1u0q s GLY 9 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 44.72 45.35 1u0q s GLY 9 CO 0.00 1.04 0.00 0.61 0.00 0.00 0.00 173.10 174.75 1u0q n GLY 10 N 0.17 -1.45 3.68 0.20 0.00 -0.46 -4.94 105.19 102.39 1u0q n GLY 10 Ca 0.12 -1.02 -0.38 0.00 0.00 0.00 0.00 46.02 44.74 1u0q n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u0q s LEU 11 N 0.00 4.17 0.08 0.99 0.20 -1.26 -1.10 118.68 121.76 1u0q s LEU 11 Ca 0.00 0.50 0.06 0.00 0.69 0.00 0.00 54.13 55.38 1u0q s LEU 11 Cb 0.00 -2.48 -0.03 0.00 -0.43 0.00 0.00 46.19 43.25 1u0q s LEU 11 CO 0.00 -0.04 -0.15 0.54 -0.29 0.00 0.00 176.35 176.41 1u0q s VAL 12 N 1.15 1.21 0.19 1.68 0.11 0.13 -4.96 120.40 119.90 1u0q s VAL 12 Ca 0.18 -1.34 -0.29 0.00 -2.93 0.00 0.00 61.98 57.60 1u0q s VAL 12 Cb -0.14 -1.15 -0.08 0.00 -1.53 0.00 0.00 36.38 33.48 1u0q s VAL 12 CO 0.07 -0.20 0.92 -1.58 -3.33 0.00 0.00 175.10 170.99 1u0q s GLN 13 N -1.76 4.77 0.32 1.54 2.00 -1.26 -0.53 119.66 124.73 1u0q s GLN 13 Ca -0.01 1.43 -0.28 0.00 -2.00 0.00 0.00 55.36 54.50 1u0q s GLN 13 Cb -0.10 -3.31 -0.13 0.00 0.80 0.00 0.00 33.01 30.27 1u0q s GLN 13 CO 0.03 0.42 1.19 0.00 -0.50 0.00 0.00 175.29 176.43 1u0q n ALA 14 N 1.94 0.75 0.00 1.58 0.00 0.02 -0.42 120.51 124.37 1u0q n ALA 14 Ca -0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1u0q n ALA 14 Cb 0.48 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1u0q n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1u0q n GLY 15 N 0.94 1.78 2.99 0.00 0.00 0.14 -4.93 105.19 106.12 1u0q n GLY 15 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1u0q n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0q n GLY 16 N -2.00 -0.76 3.30 -0.02 0.00 0.44 -4.15 105.19 101.99 1u0q n GLY 16 Ca 0.00 -1.80 -0.19 0.00 0.00 0.00 0.00 46.02 44.03 1u0q n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1u0q s SER 17 N -4.57 2.40 -0.19 1.61 0.01 -1.26 -1.63 113.70 110.06 1u0q s SER 17 Ca 0.56 -0.89 -0.21 0.00 1.31 0.00 0.00 55.95 56.72 1u0q s SER 17 Cb -0.02 -0.12 0.06 0.00 0.21 0.00 0.00 66.02 66.15 1u0q s SER 17 CO 0.39 -0.12 0.58 -0.22 0.41 0.00 0.00 173.24 174.28 1u0q s LEU 18 N -2.78 -0.22 -0.17 2.44 2.96 -0.59 -5.00 118.68 115.32 1u0q s LEU 18 Ca 0.15 1.08 0.01 0.00 -0.22 0.00 0.00 54.13 55.15 1u0q s LEU 18 Cb -0.04 2.02 0.01 0.00 0.50 0.00 0.00 46.19 48.68 1u0q s LEU 18 CO 0.05 -0.26 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.05 1u0q s ARG 19 N 0.08 3.10 0.24 1.98 3.52 -1.26 -0.46 118.95 126.15 1u0q s ARG 19 Ca -0.02 -0.79 0.02 0.00 -0.13 0.00 0.00 55.73 54.81 1u0q s ARG 19 Cb -0.04 -2.60 -0.04 0.00 -1.56 0.00 0.00 34.95 30.72 1u0q s ARG 19 CO 0.02 -0.10 0.41 -0.51 -0.81 0.00 0.00 175.30 174.30 1u0q s LEU 20 N 1.07 4.22 0.09 -0.88 1.43 -0.19 -4.72 118.68 119.70 1u0q s LEU 20 Ca -0.01 0.28 0.06 0.00 -1.03 0.00 0.00 54.13 53.44 1u0q s LEU 20 Cb -0.14 -3.08 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 1u0q s LEU 20 CO -0.06 -0.10 -0.15 -0.44 0.23 0.00 0.00 176.35 175.83 1u0q s SER 21 N -3.64 1.88 -0.20 2.29 0.01 -0.30 -1.42 113.70 112.31 1u0q s SER 21 Ca 0.37 -0.68 -0.02 0.00 1.31 0.00 0.00 55.95 56.93 1u0q s SER 21 Cb -0.10 -0.07 0.06 0.00 0.21 0.00 0.00 66.02 66.12 1u0q s SER 21 CO 0.31 -0.08 0.02 0.00 0.41 0.00 0.00 173.24 173.90 1u0q s ALA 23 N 1.76 3.76 0.21 0.00 0.00 -0.41 -1.30 121.76 125.78 1u0q s ALA 23 Ca -0.02 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.56 1u0q s ALA 23 Cb -0.17 -2.20 -0.05 0.00 0.00 0.00 0.00 23.12 20.70 1u0q s ALA 23 CO -0.08 0.49 -0.09 0.00 0.00 0.00 0.00 175.76 176.08 1u0q s ALA 24 N -0.83 1.90 0.40 0.00 0.00 -0.70 -1.99 121.76 120.54 1u0q s ALA 24 Ca 0.19 -1.68 -0.15 0.00 0.00 0.00 0.00 51.96 50.31 1u0q s ALA 24 Cb -0.14 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 1u0q s ALA 24 CO 0.08 -0.06 0.83 -1.54 0.00 0.00 0.00 175.76 175.07 1u0q s SER 25 N -3.30 6.71 0.00 0.00 1.04 -1.21 -4.86 113.70 112.08 1u0q s SER 25 Ca 0.23 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.04 1u0q s SER 25 Cb 0.02 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.72 1u0q s SER 25 CO 0.06 -0.35 0.00 0.61 0.98 0.00 0.00 173.24 174.54 1u0q n GLY 26 N -0.88 2.33 2.00 7.32 0.00 -1.26 -1.46 105.19 113.24 1u0q n GLY 26 Ca 0.04 0.14 -0.18 0.00 0.00 0.00 0.00 46.02 46.02 1u0q n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0q n ARG 27 N 13.68 2.33 -0.19 1.61 1.74 -1.26 -4.67 116.66 129.90 1u0q n ARG 27 Ca 0.00 -3.05 -0.00 0.00 -0.77 0.00 0.00 57.85 54.02 1u0q n ARG 27 Cb 0.00 -2.12 0.08 0.00 -1.02 0.00 0.00 32.46 29.41 1u0q n ARG 27 CO 0.00 0.00 0.00 1.15 -1.52 0.00 0.00 177.63 177.26 1u0q h THR 28 N 1.18 0.52 0.00 0.55 2.02 -1.59 0.47 112.91 116.06 1u0q h THR 28 Ca 0.52 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.67 1u0q h THR 28 Cb 2.59 0.41 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 1u0q h THR 28 CO 0.93 0.02 0.00 0.49 0.37 0.00 0.00 175.52 177.33 1u0q n PHE 29 N -5.28 0.00 0.03 3.16 0.99 -1.26 -0.67 117.46 114.43 1u0q n PHE 29 Ca 0.07 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.64 1u0q n PHE 29 Cb 0.32 -0.11 -0.12 0.00 -1.00 0.00 0.00 39.48 38.57 1u0q n PHE 29 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1u0q n SER 30 N -1.11 0.24 -0.01 4.37 7.64 0.13 -4.48 113.62 120.40 1u0q n SER 30 Ca 0.15 0.08 0.03 0.00 1.01 0.00 0.00 58.87 60.14 1u0q n SER 30 Cb 0.11 1.57 -0.05 0.00 -1.01 0.00 0.00 64.21 64.83 1u0q n SER 30 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1u0q n THR 31 N -2.37 0.06 -4.18 0.44 -2.24 -1.04 -4.95 114.28 100.00 1u0q n THR 31 Ca -0.03 -0.18 -0.26 0.00 -2.27 0.00 0.00 64.05 61.31 1u0q n THR 31 Cb 0.56 0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.91 1u0q n THR 31 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1u0q s TYR 32 N -2.45 2.91 0.42 4.78 1.51 0.16 -4.47 117.35 120.22 1u0q s TYR 32 Ca -0.03 -0.11 0.00 0.00 -1.01 0.00 0.00 57.07 55.92 1u0q s TYR 32 Cb 0.04 -1.40 -0.01 0.00 -0.11 0.00 0.00 41.96 40.48 1u0q s TYR 32 CO 0.29 0.52 0.64 0.00 -1.11 0.00 0.00 175.55 175.89 1u0q s ALA 33 N -1.78 3.74 -0.03 3.71 0.00 0.30 -4.57 121.76 123.13 1u0q s ALA 33 Ca 0.29 -1.01 0.04 0.00 0.00 0.00 0.00 51.96 51.28 1u0q s ALA 33 Cb -0.09 -2.13 -0.01 0.00 0.00 0.00 0.00 23.12 20.89 1u0q s ALA 33 CO 0.20 -0.27 -0.16 0.08 0.00 0.00 0.00 175.76 175.61 1u0q s VAL 34 N -2.49 1.30 0.12 0.00 1.01 -0.62 -2.02 120.40 117.71 1u0q s VAL 34 Ca 0.46 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.85 1u0q s VAL 34 Cb -0.10 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 1u0q s VAL 34 CO 0.37 0.37 -0.17 -0.83 0.00 0.00 0.00 175.10 174.85 1u0q s GLY 35 N -0.06 1.18 -0.05 4.51 0.00 0.19 0.53 107.32 113.62 1u0q s GLY 35 Ca -0.01 -1.30 0.05 0.00 0.00 0.00 0.00 44.72 43.47 1u0q s GLY 35 CO 0.01 -1.33 -0.20 -0.98 0.00 0.00 0.00 173.10 170.60 1u0q s TRP 36 N -1.72 2.54 0.24 1.90 0.52 0.10 -0.97 118.94 121.55 1u0q s TRP 36 Ca 0.09 -0.44 0.04 0.00 0.02 0.00 0.00 56.10 55.81 1u0q s TRP 36 Cb -0.07 -1.61 -0.05 0.00 -1.15 0.00 0.00 33.47 30.59 1u0q s TRP 36 CO 0.04 -0.02 0.00 -0.06 0.02 0.00 0.00 176.95 176.93 1u0q s PHE 37 N -0.44 1.61 0.01 -1.98 0.40 0.34 -0.58 117.98 117.34 1u0q s PHE 37 Ca 0.05 -0.92 -0.14 0.00 -0.60 0.00 0.00 56.93 55.31 1u0q s PHE 37 Cb -0.12 -0.94 0.02 0.00 0.51 0.00 0.00 43.02 42.49 1u0q s PHE 37 CO 0.01 -0.03 0.31 -0.98 0.70 0.00 0.00 175.22 175.23 1u0q s ARG 38 N -3.86 0.74 -0.23 0.44 1.70 -0.06 -0.59 118.95 117.09 1u0q s ARG 38 Ca 0.29 -0.35 -0.01 0.00 -0.47 0.00 0.00 55.73 55.20 1u0q s ARG 38 Cb 0.06 0.32 0.06 0.00 -0.57 0.00 0.00 34.95 34.82 1u0q s ARG 38 CO 0.10 -0.22 -0.01 -1.14 -1.08 0.00 0.00 175.30 172.94 1u0q s GLN 39 N -1.95 1.24 0.56 3.89 0.74 0.07 -0.71 119.66 123.51 1u0q s GLN 39 Ca -0.09 -0.81 -0.09 0.00 0.05 0.00 0.00 55.36 54.42 1u0q s GLN 39 Cb -0.03 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.63 1u0q s GLN 39 CO 0.00 -0.64 0.93 0.00 -0.55 0.00 0.00 175.29 175.04 1u0q s ALA 40 N 1.56 3.22 -0.22 1.58 0.00 -1.26 -1.46 121.76 125.17 1u0q s ALA 40 Ca -0.03 -0.24 -0.39 0.00 0.00 0.00 0.00 51.96 51.29 1u0q s ALA 40 Cb -0.18 -2.89 -0.16 0.00 0.00 0.00 0.00 23.12 19.90 1u0q s ALA 40 CO -0.08 -0.54 1.70 -2.30 0.00 0.00 0.00 175.76 174.55 1u0q n PRO 41 N -2.51 1.20 0.00 0.00 -0.02 -1.26 -1.47 135.00 130.94 1u0q n PRO 41 Ca 0.04 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1u0q n PRO 41 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1u0q n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u0q n GLY 42 N 3.99 2.55 3.99 -1.23 0.00 -1.26 -5.00 105.19 108.23 1u0q n GLY 42 Ca 0.25 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.09 1u0q n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0q s LYS 43 N 0.00 3.06 0.43 1.61 1.02 -0.54 -5.09 119.74 120.22 1u0q s LYS 43 Ca 0.00 -1.04 -0.21 0.00 0.02 0.00 0.00 55.97 54.73 1u0q s LYS 43 Cb 0.00 -2.80 -0.10 0.00 -0.52 0.00 0.00 37.83 34.41 1u0q s LYS 43 CO 0.00 -0.02 0.98 -1.21 -0.92 0.00 0.00 175.35 174.18 1u0q s GLU 44 N -4.22 4.16 0.33 1.68 2.02 -1.26 -4.51 118.70 116.89 1u0q s GLU 44 Ca 0.47 1.22 -0.29 0.00 0.02 0.00 0.00 54.97 56.39 1u0q s GLU 44 Cb -0.10 -2.24 -0.11 0.00 0.10 0.00 0.00 34.13 31.79 1u0q s GLU 44 CO 0.32 -0.10 1.50 0.50 0.02 0.00 0.00 175.26 177.49 1u0q s ARG 45 N -3.05 4.16 0.08 1.61 3.52 -1.26 -4.69 118.95 119.33 1u0q s ARG 45 Ca 0.62 2.51 0.03 0.00 -0.13 0.00 0.00 55.73 58.75 1u0q s ARG 45 Cb -0.12 -3.01 -0.03 0.00 -1.56 0.00 0.00 34.95 30.22 1u0q s ARG 45 CO 0.16 -0.52 -0.09 -1.83 -0.81 0.00 0.00 175.30 172.22 1u0q s GLU 46 N -1.30 0.76 0.36 5.12 -1.05 0.12 -4.94 118.70 117.76 1u0q s GLU 46 Ca 0.57 -1.10 -0.28 0.00 -0.15 0.00 0.00 54.97 54.01 1u0q s GLU 46 Cb -0.46 -0.38 -0.10 0.00 -0.44 0.00 0.00 34.13 32.75 1u0q s GLU 46 CO 0.54 0.05 1.33 0.12 0.95 0.00 0.00 175.26 178.25 1u0q s PHE 47 N -2.48 2.93 0.01 4.83 2.19 -1.26 -0.88 117.98 123.31 1u0q s PHE 47 Ca 0.03 1.39 -0.01 0.00 0.33 0.00 0.00 56.93 58.67 1u0q s PHE 47 Cb -0.03 -3.72 -0.00 0.00 -1.31 0.00 0.00 43.02 37.96 1u0q s PHE 47 CO -0.01 -2.05 -0.01 0.28 1.83 0.00 0.00 175.22 175.25 1u0q n VAL 48 N 0.56 0.27 -3.56 3.12 0.31 0.25 -4.74 118.33 114.54 1u0q n VAL 48 Ca 0.01 0.06 -0.09 0.00 -0.01 0.00 0.00 64.34 64.31 1u0q n VAL 48 Cb 0.42 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.80 1u0q n VAL 48 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1u0q s GLY 49 N -4.84 -0.44 0.01 2.92 0.00 -0.96 -1.29 107.32 102.72 1u0q s GLY 49 Ca -0.01 0.47 0.03 0.00 0.00 0.00 0.00 44.72 45.21 1u0q s GLY 49 CO 0.02 0.15 -0.09 -0.47 0.00 0.00 0.00 173.10 172.71 1u0q s TYR 50 N -3.52 0.76 -0.21 1.90 5.04 0.11 0.02 117.35 121.45 1u0q s TYR 50 Ca 0.05 -0.23 -0.00 0.00 -2.44 0.00 0.00 57.07 54.45 1u0q s TYR 50 Cb -0.02 -0.47 0.05 0.00 0.35 0.00 0.00 41.96 41.87 1u0q s TYR 50 CO -0.07 -0.02 -0.04 0.12 -1.34 0.00 0.00 175.55 174.21 1u0q s PHE 51 N -0.50 1.97 -0.18 4.97 5.36 0.19 -1.59 117.98 128.19 1u0q s PHE 51 Ca 0.00 -1.40 -0.27 0.00 -0.96 0.00 0.00 56.93 54.30 1u0q s PHE 51 Cb -0.05 -1.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.21 1u0q s PHE 51 CO 0.00 -0.70 0.93 0.20 -1.46 0.00 0.00 175.22 174.19 1u0q s GLY 52 N 1.54 2.00 0.15 13.12 0.00 -0.51 -1.58 107.32 122.04 1u0q s GLY 52 Ca -0.03 0.14 0.25 0.00 0.00 0.00 0.00 44.72 45.08 1u0q s GLY 52 CO -0.07 1.90 1.76 2.41 0.00 0.00 0.00 173.10 179.10 1u0q n THR 52 N 4.93 0.55 0.24 0.90 -1.04 -1.26 -1.19 114.28 117.41 1u0q n THR 52 Ca 0.08 -0.05 -0.12 0.00 -2.04 0.00 0.00 64.05 61.92 1u0q n THR 52 Cb 0.48 -0.74 -0.06 0.00 -1.82 0.00 0.00 70.33 68.19 1u0q n THR 52 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1u0q h ARG 53 N 0.00 -0.64 -0.00 -2.82 -0.00 -1.92 -3.38 114.38 105.61 1u0q h ARG 53 Ca 0.00 0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.52 1u0q h ARG 53 Cb 0.55 0.15 0.00 0.00 0.00 0.00 0.00 29.97 30.66 1u0q h ARG 53 CO 0.00 -0.36 -0.28 0.41 0.00 0.00 0.00 179.97 179.74 1u0q n GLY 54 N -0.17 -0.06 1.63 0.04 0.00 -1.25 -5.00 105.19 100.38 1u0q n GLY 54 Ca -0.10 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.65 1u0q n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u0q n GLY 55 N 0.99 0.54 3.79 -0.02 0.00 -0.33 -5.04 105.19 105.13 1u0q n GLY 55 Ca 0.03 -0.47 -0.35 0.00 0.00 0.00 0.00 46.02 45.23 1u0q n GLY 55 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u0q s ARG 56 N -0.94 4.15 0.12 1.61 3.03 -1.23 -4.81 118.95 120.88 1u0q s ARG 56 Ca 0.00 1.36 0.09 0.00 2.03 0.00 0.00 55.73 59.21 1u0q s ARG 56 Cb 0.00 -2.38 -0.04 0.00 -1.03 0.00 0.00 34.95 31.50 1u0q s ARG 56 CO 0.00 -0.13 -0.22 0.95 -1.13 0.00 0.00 175.30 174.77 1u0q s THR 57 N -1.85 1.88 -0.02 4.99 -4.23 -1.26 -1.43 115.64 113.73 1u0q s THR 57 Ca 0.60 -1.66 0.03 0.00 -1.18 0.00 0.00 61.69 59.47 1u0q s THR 57 Cb -0.17 -1.72 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 1u0q s THR 57 CO 0.22 -0.06 -0.09 -0.31 -0.54 0.00 0.00 174.62 173.83 1u0q s TYR 58 N -1.27 0.91 0.04 3.99 1.51 -0.62 -4.98 117.35 116.92 1u0q s TYR 58 Ca 0.10 -0.20 0.06 0.00 -1.01 0.00 0.00 57.07 56.02 1u0q s TYR 58 Cb -0.09 -0.61 -0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1u0q s TYR 58 CO 0.05 -0.05 -0.17 0.71 -1.11 0.00 0.00 175.55 174.98 1u0q s TYR 59 N -0.05 1.50 0.55 2.71 2.02 -1.26 -0.71 117.35 122.11 1u0q s TYR 59 Ca 0.01 -0.36 -0.20 0.00 -0.37 0.00 0.00 57.07 56.15 1u0q s TYR 59 Cb -0.06 -0.89 -0.05 0.00 -0.40 0.00 0.00 41.96 40.56 1u0q s TYR 59 CO -0.00 0.06 1.19 0.00 -1.57 0.00 0.00 175.55 175.23 1u0q s ALA 60 N -0.80 2.69 0.54 3.71 0.00 -0.41 -4.72 121.76 122.76 1u0q s ALA 60 Ca 0.04 0.97 0.22 0.00 0.00 0.00 0.00 51.96 53.20 1u0q s ALA 60 Cb -0.08 -3.42 1.40 0.00 0.00 0.00 0.00 23.12 21.01 1u0q s ALA 60 CO 0.01 -0.97 2.08 -0.44 0.00 0.00 0.00 175.76 176.44 1u0q h ASP 61 N 1.23 0.00 0.25 0.00 3.32 -1.94 -0.38 116.42 118.90 1u0q h ASP 61 Ca -0.50 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.53 1u0q h ASP 61 Cb 1.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.83 1u0q h ASP 61 CO 0.57 0.00 -0.07 0.77 -1.72 0.00 0.00 179.24 178.79 1u0q h SER 62 N 0.00 0.00 0.00 6.45 4.64 -1.95 -3.28 113.55 119.41 1u0q h SER 62 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 1u0q h SER 62 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1u0q h SER 62 CO -0.00 0.07 0.00 1.33 -0.87 0.00 0.00 176.83 177.36 1u0q n VAL 63 N -3.64 0.00 -1.64 0.95 0.24 -0.62 -5.02 118.33 108.61 1u0q n VAL 63 Ca -0.02 -0.30 -0.51 0.00 -2.04 0.00 0.00 64.34 61.48 1u0q n VAL 63 Cb 0.18 1.13 -0.05 0.00 -1.47 0.00 0.00 33.84 33.63 1u0q n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1u0q n LYS 64 N -0.40 1.55 0.00 7.34 4.81 -0.25 -0.91 118.16 130.31 1u0q n LYS 64 Ca 0.00 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1u0q n LYS 64 Cb 0.03 -2.27 0.00 0.00 0.02 0.00 0.00 35.03 32.81 1u0q n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1u0q n GLY 65 N 3.20 3.01 0.10 3.14 0.00 -1.26 -4.79 105.19 108.60 1u0q n GLY 65 Ca 0.19 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 1u0q n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u0q n ARG 66 N 0.00 0.67 -4.49 1.61 1.74 -0.08 -4.94 116.66 111.17 1u0q n ARG 66 Ca 0.00 0.15 -0.34 0.00 -0.77 0.00 0.00 57.85 56.89 1u0q n ARG 66 Cb 0.00 -1.63 -0.10 0.00 -1.02 0.00 0.00 32.46 29.70 1u0q n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1u0q s PHE 67 N -2.54 3.05 0.02 -1.55 0.40 -0.69 -1.21 117.98 115.47 1u0q s PHE 67 Ca -0.14 0.11 -0.00 0.00 -0.60 0.00 0.00 56.93 56.29 1u0q s PHE 67 Cb 0.07 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.84 1u0q s PHE 67 CO 0.78 0.40 -0.02 0.95 0.70 0.00 0.00 175.22 178.04 1u0q s THR 68 N -0.86 0.10 0.01 0.64 -4.23 -0.37 -4.81 115.64 106.12 1u0q s THR 68 Ca 0.13 -0.81 0.08 0.00 -1.18 0.00 0.00 61.69 59.91 1u0q s THR 68 Cb -0.11 -0.24 -0.03 0.00 1.34 0.00 0.00 72.50 73.46 1u0q s THR 68 CO 0.02 -0.44 -0.23 -0.63 -0.54 0.00 0.00 174.62 172.80 1u0q s ILE 69 N -1.30 2.39 0.32 2.99 1.01 -1.26 0.10 121.20 125.45 1u0q s ILE 69 Ca -0.14 -1.18 -0.04 0.00 0.00 0.00 0.00 60.65 59.29 1u0q s ILE 69 Cb -0.09 -1.93 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1u0q s ILE 69 CO -0.01 0.45 0.45 0.00 0.00 0.00 0.00 174.94 175.83 1u0q s ALA 70 N -0.77 0.62 0.02 9.38 0.00 -0.95 -4.98 121.76 125.07 1u0q s ALA 70 Ca 0.12 -1.42 0.02 0.00 0.00 0.00 0.00 51.96 50.68 1u0q s ALA 70 Cb -0.10 1.15 -0.01 0.00 0.00 0.00 0.00 23.12 24.16 1u0q s ALA 70 CO 0.02 -0.79 -0.06 -1.50 0.00 0.00 0.00 175.76 173.43 1u0q s ILE 71 N -3.28 0.47 0.92 0.00 2.07 -1.26 -0.43 121.20 119.69 1u0q s ILE 71 Ca 0.30 -0.59 -0.12 0.00 -1.41 0.00 0.00 60.65 58.83 1u0q s ILE 71 Cb 0.00 -0.46 0.14 0.00 0.13 0.00 0.00 42.46 42.27 1u0q s ILE 71 CO 0.18 -0.10 1.11 1.51 -1.91 0.00 0.00 174.94 175.73 1u0q s ASP 72 N -0.75 3.39 0.25 4.50 1.47 -0.51 -4.91 116.67 120.11 1u0q s ASP 72 Ca -0.03 1.19 -0.04 0.00 1.18 0.00 0.00 52.55 54.85 1u0q s ASP 72 Cb -0.05 -1.84 0.39 0.00 -0.34 0.00 0.00 42.92 41.08 1u0q s ASP 72 CO 0.00 -2.65 1.84 0.78 0.68 0.00 0.00 175.17 175.82 1u0q h ASN 73 N -1.56 0.83 1.19 2.11 2.35 -2.02 -1.58 115.58 116.90 1u0q h ASN 73 Ca -0.51 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.27 1u0q h ASN 73 Cb 1.31 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 39.54 1u0q h ASN 73 CO 0.59 0.51 0.00 0.00 -1.65 0.00 0.00 177.43 176.87 1u0q h ALA 74 N 1.44 1.00 -3.73 -0.83 0.00 -1.96 -3.47 119.26 111.71 1u0q h ALA 74 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 55.02 1u0q h ALA 74 Cb 0.27 0.00 0.06 0.00 0.00 0.00 0.00 17.79 18.12 1u0q h ALA 74 CO -0.21 0.00 -0.46 1.63 0.00 0.00 0.00 179.25 180.22 1u0q n LYS 75 N -2.30 -4.29 0.00 0.00 5.02 -0.60 -4.90 118.16 111.09 1u0q n LYS 75 Ca 0.04 0.64 0.03 0.00 -2.02 0.00 0.00 58.31 57.01 1u0q n LYS 75 Cb 0.35 -4.98 -0.02 0.00 -0.02 0.00 0.00 35.03 30.36 1u0q n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1u0q n ASN 76 N -1.47 0.61 -3.80 4.39 3.02 -1.26 -4.46 115.26 112.29 1u0q n ASN 76 Ca -0.05 -0.81 -0.14 0.00 -0.03 0.00 0.00 54.58 53.55 1u0q n ASN 76 Cb 0.57 0.79 -0.15 0.00 -0.61 0.00 0.00 39.78 40.38 1u0q n ASN 76 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1u0q s THR 77 N -1.44 -0.04 -0.07 3.41 2.01 -1.26 -1.72 115.64 116.53 1u0q s THR 77 Ca 0.04 0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.19 1u0q s THR 77 Cb 0.06 -0.11 -0.02 0.00 0.01 0.00 0.00 72.50 72.43 1u0q s THR 77 CO 0.25 0.05 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.41 1u0q s VAL 78 N 0.71 3.15 0.13 3.82 1.01 -0.42 -1.42 120.40 127.38 1u0q s VAL 78 Ca -0.06 -0.68 0.07 0.00 0.00 0.00 0.00 61.98 61.32 1u0q s VAL 78 Cb -0.08 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 1u0q s VAL 78 CO -0.03 0.58 -0.06 -0.31 0.00 0.00 0.00 175.10 175.29 1u0q s TYR 79 N -0.52 2.80 -0.30 5.22 2.02 0.43 -0.63 117.35 126.37 1u0q s TYR 79 Ca 0.07 -0.14 0.02 0.00 -0.37 0.00 0.00 57.07 56.65 1u0q s TYR 79 Cb -0.12 -1.42 0.09 0.00 -0.40 0.00 0.00 41.96 40.11 1u0q s TYR 79 CO 0.02 0.47 0.02 -1.17 -1.57 0.00 0.00 175.55 173.32 1u0q s LEU 80 N -2.49 3.56 -0.06 -1.29 2.96 -0.51 -2.24 118.68 118.61 1u0q s LEU 80 Ca 0.24 -1.74 -0.21 0.00 -0.22 0.00 0.00 54.13 52.20 1u0q s LEU 80 Cb -0.10 -1.35 -0.04 0.00 0.50 0.00 0.00 46.19 45.20 1u0q s LEU 80 CO 0.16 -0.34 0.59 -1.58 -1.32 0.00 0.00 176.35 173.87 1u0q s GLN 81 N 1.20 4.36 -0.13 1.98 2.00 0.12 -1.03 119.66 128.16 1u0q s GLN 81 Ca 0.05 0.70 0.02 0.00 -2.00 0.00 0.00 55.36 54.12 1u0q s GLN 81 Cb -0.19 -3.41 -0.00 0.00 0.80 0.00 0.00 33.01 30.22 1u0q s GLN 81 CO -0.11 0.20 -0.19 -1.64 -0.50 0.00 0.00 175.29 173.05 1u0q s MET 82 N 0.40 3.15 0.24 1.67 -1.94 0.39 -1.24 119.30 121.98 1u0q s MET 82 Ca 0.32 -0.80 0.11 0.00 -1.71 0.00 0.00 55.69 53.61 1u0q s MET 82 Cb -0.17 -2.47 -0.05 0.00 2.01 0.00 0.00 34.83 34.15 1u0q s MET 82 CO 0.15 0.11 -0.21 -0.80 -0.01 0.00 0.00 175.02 174.26 1u0q s ASN 82 N 0.56 3.45 -1.27 3.03 0.02 -0.35 -1.54 114.94 118.83 1u0q s ASN 82 Ca -0.12 -0.97 -0.22 0.00 -1.02 0.00 0.00 52.86 50.54 1u0q s ASN 82 Cb -0.16 -0.27 0.02 0.00 0.02 0.00 0.00 41.25 40.86 1u0q s ASN 82 CO 0.04 0.05 0.57 -1.20 0.02 0.00 0.00 177.10 176.58 1u0q n SER 82 N -0.28 -3.15 -4.76 -1.22 7.64 -1.17 -4.73 113.62 105.97 1u0q n SER 82 Ca -0.08 -1.19 -0.38 0.00 1.01 0.00 0.00 58.87 58.22 1u0q n SER 82 Cb 0.59 -2.25 0.03 0.00 -1.01 0.00 0.00 64.21 61.56 1u0q n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1u0q s LEU 82 N -7.15 3.94 0.34 -3.43 1.43 -0.65 -4.70 118.68 108.46 1u0q s LEU 82 Ca 0.35 2.70 0.08 0.00 -1.03 0.00 0.00 54.13 56.24 1u0q s LEU 82 Cb -0.17 -4.19 -0.05 0.00 0.03 0.00 0.00 46.19 41.81 1u0q s LEU 82 CO 0.94 -1.35 0.10 -0.54 0.23 0.00 0.00 176.35 175.73 1u0q s LYS 83 N -2.76 2.28 0.25 1.70 1.02 -1.26 -0.68 119.74 120.29 1u0q s LYS 83 Ca 0.68 -1.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.01 1u0q s LYS 83 Cb -0.39 -2.09 0.29 0.00 -0.52 0.00 0.00 37.83 35.12 1u0q s LYS 83 CO 0.47 0.12 1.82 -0.07 -0.92 0.00 0.00 175.35 176.76 1u0q h LEU 84 N 1.63 0.95 0.00 3.17 3.38 -1.95 -2.06 115.31 120.43 1u0q h LEU 84 Ca -0.43 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.39 1u0q h LEU 84 Cb 1.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1u0q h LEU 84 CO 0.64 0.86 0.00 -0.90 0.09 0.00 0.00 178.44 179.14 1u0q n ASP 85 N -4.29 0.00 -0.29 -0.43 5.75 -1.26 -1.90 116.55 114.13 1u0q n ASP 85 Ca 0.06 -1.57 0.13 0.00 -0.01 0.00 0.00 54.79 53.40 1u0q n ASP 85 Cb 0.19 0.00 0.46 0.00 -1.03 0.00 0.00 41.12 40.74 1u0q n ASP 85 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 1u0q n ASP 86 N -0.57 1.07 -4.70 -1.12 8.00 -0.77 -4.86 116.55 113.59 1u0q n ASP 86 Ca 0.03 -1.03 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 1u0q n ASP 86 Cb 0.01 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 1u0q n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1u0q s THR 87 N -2.34 2.82 0.00 -3.53 2.01 -0.80 -4.91 115.64 108.89 1u0q s THR 87 Ca 0.29 0.43 0.00 0.00 0.31 0.00 0.00 61.69 62.72 1u0q s THR 87 Cb 0.20 -3.27 0.00 0.00 0.01 0.00 0.00 72.50 69.43 1u0q s THR 87 CO 0.46 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 1u0q n ALA 88 N 4.94 0.00 -2.69 7.40 0.00 -0.69 -4.42 120.51 125.06 1u0q n ALA 88 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.21 1u0q n ALA 88 Cb 0.39 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.77 1u0q n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u0q s VAL 89 N -2.00 5.20 -0.16 0.00 1.01 -0.54 -1.25 120.40 122.66 1u0q s VAL 89 Ca 0.00 0.75 -0.09 0.00 0.00 0.00 0.00 61.98 62.63 1u0q s VAL 89 Cb 0.00 -3.74 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1u0q s VAL 89 CO 0.00 0.28 0.15 -0.31 0.00 0.00 0.00 175.10 175.22 1u0q s TYR 90 N 1.11 3.49 -0.04 5.22 1.51 0.35 -0.75 117.35 128.23 1u0q s TYR 90 Ca 0.20 0.43 0.05 0.00 -1.01 0.00 0.00 57.07 56.75 1u0q s TYR 90 Cb -0.15 -2.09 -0.01 0.00 -0.11 0.00 0.00 41.96 39.60 1u0q s TYR 90 CO 0.08 0.46 -0.20 0.71 -1.11 0.00 0.00 175.55 175.49 1u0q s TYR 91 N -0.17 1.94 0.13 2.71 2.02 0.24 -1.22 117.35 123.01 1u0q s TYR 91 Ca 0.11 -0.53 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 1u0q s TYR 91 Cb -0.12 -1.29 -0.04 0.00 -0.40 0.00 0.00 41.96 40.12 1u0q s TYR 91 CO 0.01 -0.16 0.14 0.00 -1.57 0.00 0.00 175.55 173.97 1u0q s ALA 93 N -1.62 -0.61 0.12 0.00 0.00 -0.15 -1.50 121.76 118.01 1u0q s ALA 93 Ca 0.31 -0.25 0.08 0.00 0.00 0.00 0.00 51.96 52.11 1u0q s ALA 93 Cb -0.11 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.49 1u0q s ALA 93 CO 0.24 -0.54 -0.19 0.14 0.00 0.00 0.00 175.76 175.41 1u0q s VAL 94 N -3.51 1.70 0.07 0.00 -7.23 -0.77 -0.64 120.40 110.02 1u0q s VAL 94 Ca 0.02 -1.66 -0.08 0.00 -1.81 0.00 0.00 61.98 58.45 1u0q s VAL 94 Cb 0.02 -1.62 -0.01 0.00 0.56 0.00 0.00 36.38 35.33 1u0q s VAL 94 CO -0.09 -0.17 0.16 0.00 -0.31 0.00 0.00 175.10 174.68 1u0q s ARG 95 N -2.23 0.75 0.36 4.82 1.70 -0.86 -0.55 118.95 122.94 1u0q s ARG 95 Ca 0.09 -0.88 -0.22 0.00 -0.47 0.00 0.00 55.73 54.25 1u0q s ARG 95 Cb -0.08 0.30 -0.10 0.00 -0.57 0.00 0.00 34.95 34.50 1u0q s ARG 95 CO 0.05 -0.22 0.90 -1.64 -1.08 0.00 0.00 175.30 173.31 1u0q s MET 96 N -3.39 4.33 0.59 3.89 -1.94 -1.26 -0.54 119.30 120.99 1u0q s MET 96 Ca 0.01 1.11 -0.19 0.00 -1.71 0.00 0.00 55.69 54.92 1u0q s MET 96 Cb 0.03 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.32 1u0q s MET 96 CO -0.08 0.15 0.98 -2.30 -0.01 0.00 0.00 175.02 173.76 1u0q n PRO 97 N -0.04 0.94 -3.74 2.03 -0.02 -1.26 -3.39 135.00 129.53 1u0q n PRO 97 Ca 0.04 0.36 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1u0q n PRO 97 Cb 0.52 -2.18 0.04 0.00 -0.02 0.00 0.00 33.50 31.86 1u0q n PRO 97 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1u0q n TYR 98 N -1.66 -1.86 -1.11 6.00 4.02 -1.26 -4.92 117.16 116.38 1u0q n TYR 98 Ca 0.13 0.42 0.03 0.00 -0.01 0.00 0.00 57.90 58.47 1u0q n TYR 98 Cb 0.47 -3.31 0.04 0.00 -0.02 0.00 0.00 39.34 36.52 1u0q n TYR 98 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 1u0q n SER 99 N -2.55 1.13 0.00 7.72 3.41 -1.22 -5.13 113.62 116.99 1u0q n SER 99 Ca -0.10 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.37 1u0q n SER 99 Cb 0.59 -0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.35 1u0q n SER 99 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u0q n GLY 100 N -0.54 0.68 3.66 5.00 0.00 -1.26 -4.91 105.19 107.82 1u0q n GLY 100 Ca 0.05 -2.12 -0.43 0.00 0.00 0.00 0.00 46.02 43.52 1u0q n GLY 100 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1u0q s ASP 100 N -4.00 6.88 0.20 1.61 2.15 -1.26 -4.90 116.67 117.35 1u0q s ASP 100 Ca 0.00 1.76 0.20 0.00 0.43 0.00 0.00 52.55 54.93 1u0q s ASP 100 Cb 0.00 -2.54 0.88 0.00 -0.30 0.00 0.00 42.92 40.96 1u0q s ASP 100 CO 0.00 -0.81 1.60 0.00 -0.17 0.00 0.00 175.17 175.79 1u0q n TYR 100 N 6.77 0.58 -1.64 -5.34 4.11 -1.26 -4.74 117.16 115.63 1u0q n TYR 100 Ca 0.15 0.25 -0.37 0.00 -0.00 0.00 0.00 57.90 57.92 1u0q n TYR 100 Cb 0.45 -0.90 -0.03 0.00 -0.00 0.00 0.00 39.34 38.86 1u0q n TYR 100 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1u0q n ARG 100 N -2.05 3.99 0.00 -3.48 1.74 -1.26 -4.95 116.66 110.65 1u0q n ARG 100 Ca 0.01 -2.78 0.00 0.00 -0.77 0.00 0.00 57.85 54.32 1u0q n ARG 100 Cb 0.16 -2.63 0.00 0.00 -1.02 0.00 0.00 32.46 28.97 1u0q n ARG 100 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1u0q n SER 100 N 2.43 3.52 0.30 0.55 3.41 -1.26 -4.63 113.62 117.94 1u0q n SER 100 Ca 0.67 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 59.47 1u0q n SER 100 Cb 0.29 0.41 0.94 0.00 -0.26 0.00 0.00 64.21 65.60 1u0q n SER 100 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1u0q h GLY 100 N 0.00 0.00 0.99 5.00 0.00 -1.99 -2.81 103.07 104.26 1u0q h GLY 100 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u0q h GLY 100 CO 0.00 0.00 -0.11 -1.30 0.00 0.00 0.00 176.54 175.13 1u0q n THR 100 N -3.23 0.00 -3.27 4.70 -2.24 -1.26 -4.89 114.28 104.10 1u0q n THR 100 Ca -0.02 -0.05 -0.35 0.00 -2.27 0.00 0.00 64.05 61.37 1u0q n THR 100 Cb 0.18 -0.12 -0.06 0.00 -2.10 0.00 0.00 70.33 68.23 1u0q n THR 100 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1u0q s TYR 100 N -2.52 3.56 -0.17 4.78 2.02 -1.06 -4.69 117.35 119.27 1u0q s TYR 100 Ca 0.27 1.15 0.03 0.00 -0.37 0.00 0.00 57.07 58.15 1u0q s TYR 100 Cb 0.20 -2.44 -0.22 0.00 -0.40 0.00 0.00 41.96 39.09 1u0q s TYR 100 CO 0.49 0.34 0.14 -0.25 -1.57 0.00 0.00 175.55 174.70 1u0q n ASP 101 N 0.51 1.57 -4.07 2.29 8.00 0.29 -4.99 116.55 120.16 1u0q n ASP 101 Ca -0.03 0.08 -0.14 0.00 0.71 0.00 0.00 54.79 55.41 1u0q n ASP 101 Cb 0.52 -0.30 -0.12 0.00 -0.02 0.00 0.00 41.12 41.20 1u0q n ASP 101 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1u0q s TYR 102 N -2.54 0.71 0.04 1.24 1.51 -1.17 -5.01 117.35 112.14 1u0q s TYR 102 Ca -0.23 -0.48 0.04 0.00 -1.01 0.00 0.00 57.07 55.40 1u0q s TYR 102 Cb 0.08 -0.43 -0.02 0.00 -0.11 0.00 0.00 41.96 41.48 1u0q s TYR 102 CO 0.72 -0.07 -0.13 -1.58 -1.11 0.00 0.00 175.55 173.39 1u0q s TRP 103 N -1.32 1.12 0.82 2.71 0.52 -1.26 -1.85 118.94 119.68 1u0q s TRP 103 Ca -0.09 -0.37 -0.10 0.00 0.02 0.00 0.00 56.10 55.55 1u0q s TRP 103 Cb -0.10 -0.66 0.12 0.00 -1.15 0.00 0.00 33.47 31.69 1u0q s TRP 103 CO 0.01 0.02 1.16 0.20 0.02 0.00 0.00 176.95 178.36 1u0q s GLY 104 N -1.24 1.71 0.23 0.98 0.00 -0.56 -4.63 107.32 103.80 1u0q s GLY 104 Ca -0.00 -1.06 0.25 0.00 0.00 0.00 0.00 44.72 43.91 1u0q s GLY 104 CO 0.01 -0.49 1.69 1.46 0.00 0.00 0.00 173.10 175.78 1u0q h GLN 105 N -1.07 0.00 0.00 2.90 4.20 -1.91 -3.45 115.11 115.78 1u0q h GLN 105 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1u0q h GLN 105 Cb 1.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1u0q h GLN 105 CO 0.51 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.08 1u0q n GLY 106 N 1.28 1.50 2.87 3.46 0.00 -1.26 -5.03 105.19 108.01 1u0q n GLY 106 Ca 0.05 -1.72 -0.16 0.00 0.00 0.00 0.00 46.02 44.18 1u0q n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u0q s THR 107 N -2.50 0.26 0.07 2.61 -1.32 -0.36 -4.82 115.64 109.59 1u0q s THR 107 Ca 0.00 -0.03 -0.28 0.00 -1.21 0.00 0.00 61.69 60.17 1u0q s THR 107 Cb 0.00 -0.29 -0.05 0.00 -1.51 0.00 0.00 72.50 70.64 1u0q s THR 107 CO 0.00 0.13 0.89 -1.58 -2.21 0.00 0.00 174.62 171.85 1u0q s GLN 108 N 0.58 4.61 -0.16 7.08 2.00 -1.26 -0.50 119.66 132.00 1u0q s GLN 108 Ca -0.06 1.30 0.01 0.00 -2.00 0.00 0.00 55.36 54.61 1u0q s GLN 108 Cb -0.09 -3.38 0.02 0.00 0.80 0.00 0.00 33.01 30.36 1u0q s GLN 108 CO -0.01 0.20 -0.16 0.08 -0.50 0.00 0.00 175.29 174.91 1u0q s VAL 109 N 0.12 1.73 -0.22 1.34 1.01 -0.38 -1.35 120.40 122.65 1u0q s VAL 109 Ca 0.44 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.64 1u0q s VAL 109 Cb -0.22 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.55 1u0q s VAL 109 CO 0.27 0.45 -0.10 -0.89 0.00 0.00 0.00 175.10 174.83 1u0q s THR 110 N 1.42 2.75 -0.28 3.92 2.01 -0.25 -1.70 115.64 123.50 1u0q s THR 110 Ca 0.04 -0.83 -0.10 0.00 0.31 0.00 0.00 61.69 61.11 1u0q s THR 110 Cb -0.13 -2.27 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1u0q s THR 110 CO -0.11 0.39 0.17 -0.69 -0.69 0.00 0.00 174.62 173.69 1u0q s VAL 111 N 1.36 5.08 -0.01 3.82 1.01 -1.26 0.18 120.40 130.59 1u0q s VAL 111 Ca 0.04 0.05 0.01 0.00 0.00 0.00 0.00 61.98 62.08 1u0q s VAL 111 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.77 1u0q s VAL 111 CO -0.07 0.24 0.01 -0.94 0.00 0.00 0.00 175.10 174.34 1u0q s SER 112 N 1.72 5.19 0.00 3.32 1.04 0.31 -4.74 113.70 120.54 1u0q s SER 112 Ca 0.07 0.02 0.13 0.00 0.48 0.00 0.00 55.95 56.64 1u0q s SER 112 Cb -0.16 -1.38 0.76 0.00 0.10 0.00 0.00 66.02 65.34 1u0q s SER 112 CO 0.09 0.29 1.19 -1.54 0.98 0.00 0.00 173.24 174.25