#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mqo s ASP 5 N 0.00 3.81 0.30 4.38 3.84 -1.26 -4.84 116.67 122.90 3mqo s ASP 5 Ca 0.00 0.14 0.05 0.00 -0.00 0.00 0.00 52.55 52.75 3mqo s ASP 5 Cb 0.00 -0.40 0.48 0.00 -1.38 0.00 0.00 42.92 41.62 3mqo s ASP 5 CO 0.00 -2.26 1.73 1.88 -0.00 0.00 0.00 175.17 176.52 3mqo h TYR 6 N -1.13 0.37 -0.04 2.11 0.05 -2.05 -0.83 116.97 115.46 3mqo h TYR 6 Ca -0.42 -0.09 -0.00 0.00 0.05 0.00 0.00 58.73 58.27 3mqo h TYR 6 Cb 1.26 -0.09 -0.00 0.00 1.01 0.00 0.00 36.73 38.91 3mqo h TYR 6 CO -0.57 0.62 0.01 -0.22 -1.05 0.00 0.00 178.16 176.95 3mqo h LYS 7 N 0.29 0.06 -0.59 4.88 3.64 -1.99 -1.19 116.57 121.66 3mqo h LYS 7 Ca 0.04 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3mqo h LYS 7 Cb 0.71 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 3mqo h LYS 7 CO 0.05 0.29 0.37 1.15 -2.27 0.00 0.00 179.45 179.05 3mqo h THR 8 N -0.18 1.17 -0.22 1.00 2.02 -1.89 -2.01 112.91 112.80 3mqo h THR 8 Ca 0.01 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.89 3mqo h THR 8 Cb 0.26 0.34 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 3mqo h THR 8 CO 0.00 0.17 -0.16 0.00 0.37 0.00 0.00 175.52 175.90 3mqo h ALA 9 N 1.19 -0.01 -0.46 6.16 0.00 -1.08 0.18 119.26 125.25 3mqo h ALA 9 Ca 0.21 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3mqo h ALA 9 Cb -0.04 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 3mqo h ALA 9 CO -0.04 -0.58 0.09 0.35 0.00 0.00 0.00 179.25 179.07 3mqo h PHE 10 N -0.16 0.15 0.00 0.00 3.57 -0.94 -1.22 116.94 118.34 3mqo h PHE 10 Ca 0.13 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.48 3mqo h PHE 10 Cb 0.35 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 3mqo h PHE 10 CO -0.32 0.00 -0.81 0.45 -2.23 0.00 0.00 178.31 175.40 3mqo h HIS 11 N 0.23 0.00 0.00 0.41 3.86 -0.91 -3.21 115.15 115.53 3mqo h HIS 11 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 3mqo h HIS 11 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3mqo h HIS 11 CO -0.22 0.81 -0.37 -0.11 0.86 0.00 0.00 177.93 178.91 3mqo n LEU 12 N -3.44 0.61 -4.63 2.43 7.94 0.59 -4.34 117.00 116.16 3mqo n LEU 12 Ca 0.00 0.31 -0.44 0.00 -1.11 0.00 0.00 56.01 54.77 3mqo n LEU 12 Cb 0.82 -0.27 -0.01 0.00 0.53 0.00 0.00 43.42 44.49 3mqo n LEU 12 CO 0.44 -0.05 0.70 0.00 -1.11 0.00 0.00 177.39 177.37 3mqo n ALA 13 N -1.72 0.33 1.64 1.96 0.00 -0.48 -4.86 120.51 117.37 3mqo n ALA 13 Ca 0.05 0.38 0.14 0.00 0.00 0.00 0.00 53.44 54.00 3mqo n ALA 13 Cb 0.41 -2.11 0.79 0.00 0.00 0.00 0.00 19.45 18.54 3mqo n ALA 13 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3mqo n PRO 14 N 0.70 0.79 -4.35 0.00 -0.04 -1.26 -4.71 135.00 126.12 3mqo n PRO 14 Ca 0.08 0.01 -0.20 0.00 -0.04 0.00 0.00 63.50 63.34 3mqo n PRO 14 Cb 0.33 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.19 3mqo n PRO 14 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3mqo s ILE 15 N -2.07 1.82 0.13 0.52 -4.36 -1.26 -5.06 121.20 110.91 3mqo s ILE 15 Ca 0.39 -2.10 -0.31 0.00 -0.26 0.00 0.00 60.65 58.37 3mqo s ILE 15 Cb 0.19 -1.97 -0.09 0.00 1.25 0.00 0.00 42.46 41.83 3mqo s ILE 15 CO 0.33 -0.46 1.56 -0.83 0.24 0.00 0.00 174.94 175.78 3mqo s GLY 16 N -3.05 1.62 0.05 6.27 0.00 -0.02 -4.66 107.32 107.54 3mqo s GLY 16 Ca 0.20 1.28 0.08 0.00 0.00 0.00 0.00 44.72 46.28 3mqo s GLY 16 CO 0.07 2.66 -0.23 1.08 0.00 0.00 0.00 173.10 176.69 3mqo s LEU 17 N 1.58 2.18 -0.01 0.66 1.43 -1.26 -0.91 118.68 122.36 3mqo s LEU 17 Ca 0.70 -0.56 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 3mqo s LEU 17 Cb -0.41 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 44.73 3mqo s LEU 17 CO 0.31 0.19 -0.01 -0.69 0.23 0.00 0.00 176.35 176.39 3mqo s VAL 18 N -0.83 0.13 -0.32 -1.59 1.01 0.71 -2.60 120.40 116.90 3mqo s VAL 18 Ca 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 61.98 61.94 3mqo s VAL 18 Cb -0.09 -0.16 -0.02 0.00 0.00 0.00 0.00 36.38 36.11 3mqo s VAL 18 CO 0.02 0.07 0.27 -0.76 0.00 0.00 0.00 175.10 174.70 3mqo s LEU 19 N 0.36 4.37 0.28 3.92 1.43 -0.49 -0.95 118.68 127.61 3mqo s LEU 19 Ca -0.03 -0.25 0.11 0.00 -1.03 0.00 0.00 54.13 52.93 3mqo s LEU 19 Cb -0.06 -2.20 -0.05 0.00 0.03 0.00 0.00 46.19 43.91 3mqo s LEU 19 CO -0.01 -0.22 -0.12 -0.94 0.23 0.00 0.00 176.35 175.29 3mqo s SER 20 N 1.73 3.94 -0.14 2.29 1.04 -0.21 -0.89 113.70 121.45 3mqo s SER 20 Ca 0.08 -0.91 -0.07 0.00 0.48 0.00 0.00 55.95 55.53 3mqo s SER 20 Cb -0.17 -0.49 0.06 0.00 0.10 0.00 0.00 66.02 65.52 3mqo s SER 20 CO 0.11 -0.00 0.33 -0.60 0.98 0.00 0.00 173.24 174.05 3mqo s ARG 21 N -3.58 0.27 -1.58 4.02 3.52 -0.63 -1.72 118.95 119.24 3mqo s ARG 21 Ca 0.31 0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 56.49 3mqo s ARG 21 Cb -0.05 -0.01 0.11 0.00 -1.56 0.00 0.00 34.95 33.44 3mqo s ARG 21 CO 0.17 -0.20 0.92 -0.25 -0.81 0.00 0.00 175.30 175.13 3mqo n ASP 22 N 4.65 -4.28 -1.18 -2.12 8.00 -1.11 -1.29 116.55 119.21 3mqo n ASP 22 Ca -0.18 -0.85 -0.15 0.00 0.71 0.00 0.00 54.79 54.32 3mqo n ASP 22 Cb 0.52 -3.54 -0.06 0.00 -0.02 0.00 0.00 41.12 38.03 3mqo n ASP 22 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3mqo n ARG 23 N -4.59 -1.04 -4.66 -1.24 1.74 -1.18 -5.00 116.66 100.69 3mqo n ARG 23 Ca 0.04 0.99 -0.33 0.00 -0.77 0.00 0.00 57.85 57.78 3mqo n ARG 23 Cb 0.52 -5.13 -0.12 0.00 -1.02 0.00 0.00 32.46 26.71 3mqo n ARG 23 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3mqo s VAL 24 N -2.57 3.53 -0.36 1.55 1.01 -0.41 -0.57 120.40 122.58 3mqo s VAL 24 Ca 0.00 -0.53 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 3mqo s VAL 24 Cb 0.00 -2.45 0.01 0.00 0.00 0.00 0.00 36.38 33.94 3mqo s VAL 24 CO 0.00 0.57 1.24 -0.63 0.00 0.00 0.00 175.10 176.28 3mqo s ILE 25 N -0.48 4.19 -0.09 2.22 1.01 0.04 -1.60 121.20 126.48 3mqo s ILE 25 Ca 0.07 1.30 0.02 0.00 0.00 0.00 0.00 60.65 62.04 3mqo s ILE 25 Cb -0.12 -4.32 -0.25 0.00 0.01 0.00 0.00 42.46 37.79 3mqo s ILE 25 CO 0.02 -0.64 0.48 -0.62 0.00 0.00 0.00 174.94 174.17 3mqo n GLU 26 N 7.47 0.71 -3.79 2.79 1.02 -0.07 0.27 120.64 129.03 3mqo n GLU 26 Ca 0.14 0.27 -0.12 0.00 -0.02 0.00 0.00 57.16 57.43 3mqo n GLU 26 Cb 0.47 -1.74 -0.09 0.00 -0.02 0.00 0.00 31.44 30.07 3mqo n GLU 26 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3mqo s ASP 27 N -6.62 -0.10 0.23 1.62 -1.08 -1.02 -4.63 116.67 105.07 3mqo s ASP 27 Ca -0.15 -0.09 -0.16 0.00 -0.52 0.00 0.00 52.55 51.63 3mqo s ASP 27 Cb 0.07 0.30 0.01 0.00 -1.46 0.00 0.00 42.92 41.84 3mqo s ASP 27 CO 0.79 -0.48 0.54 0.00 0.52 0.00 0.00 175.17 176.54 3mqo s ASN 29 N -2.95 5.36 0.40 0.00 2.20 -1.07 -5.01 114.94 113.86 3mqo s ASN 29 Ca 0.15 -0.64 0.13 0.00 -0.94 0.00 0.00 52.86 51.56 3mqo s ASN 29 Cb -0.02 -0.28 0.82 0.00 -2.00 0.00 0.00 41.25 39.77 3mqo s ASN 29 CO 0.04 -0.96 1.88 0.44 -2.94 0.00 0.00 177.10 175.57 3mqo h ASP 30 N 0.53 0.00 -0.66 3.54 3.32 -1.90 -2.38 116.42 118.87 3mqo h ASP 30 Ca -0.37 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.65 3mqo h ASP 30 Cb 1.28 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.80 3mqo h ASP 30 CO 0.46 0.31 0.29 -0.08 -1.72 0.00 0.00 179.24 178.49 3mqo h GLU 31 N 0.00 1.00 0.45 3.56 4.57 -1.84 0.18 114.58 122.50 3mqo h GLU 31 Ca -0.00 -0.16 -0.02 0.00 -1.18 0.00 0.00 59.36 58.00 3mqo h GLU 31 Cb 0.54 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 3mqo h GLU 31 CO 0.04 0.80 -0.22 1.25 -1.18 0.00 0.00 179.01 179.70 3mqo h LEU 32 N 0.98 -0.51 -0.73 1.64 5.85 -1.70 -0.87 115.31 119.97 3mqo h LEU 32 Ca 0.23 -0.01 0.16 0.00 0.84 0.00 0.00 57.88 59.10 3mqo h LEU 32 Cb 0.16 0.13 -0.13 0.00 0.37 0.00 0.00 40.66 41.19 3mqo h LEU 32 CO -0.02 -0.33 -0.05 0.00 -0.34 0.00 0.00 178.44 177.70 3mqo h ALA 33 N -0.12 0.67 -0.31 1.25 0.00 -1.24 -1.80 119.26 117.71 3mqo h ALA 33 Ca -0.06 0.25 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3mqo h ALA 33 Cb 0.49 0.45 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 3mqo h ALA 33 CO 0.10 -0.42 0.17 0.00 0.00 0.00 0.00 179.25 179.10 3mqo h ALA 34 N 1.69 0.40 -0.84 0.00 0.00 -0.47 0.18 119.26 120.22 3mqo h ALA 34 Ca 0.38 -0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3mqo h ALA 34 Cb 0.65 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.25 3mqo h ALA 34 CO -0.67 -0.07 0.51 0.82 0.00 0.00 0.00 179.25 179.84 3mqo h ILE 35 N 0.38 1.02 -0.36 0.00 2.04 -0.36 -1.80 117.51 118.43 3mqo h ILE 35 Ca 0.11 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.65 3mqo h ILE 35 Cb 0.07 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 3mqo h ILE 35 CO -0.02 0.17 0.00 0.49 0.00 0.00 0.00 178.15 178.79 3mqo n PHE 36 N -4.65 0.47 -3.56 1.37 3.72 -0.78 -4.83 117.46 109.20 3mqo n PHE 36 Ca 0.12 -0.24 -0.20 0.00 -0.05 0.00 0.00 57.45 57.09 3mqo n PHE 36 Cb 0.19 0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.79 3mqo n PHE 36 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3mqo n ARG 37 N 0.70 -6.08 -1.76 -1.08 5.12 -0.12 -0.91 116.66 112.54 3mqo n ARG 37 Ca 0.15 0.75 -0.01 0.00 -1.93 0.00 0.00 57.85 56.81 3mqo n ARG 37 Cb 0.37 -5.61 -0.00 0.00 -1.16 0.00 0.00 32.46 26.06 3mqo n ARG 37 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3mqo s ALA 39 N -1.66 3.87 0.27 0.00 0.00 -1.26 -4.20 121.76 118.78 3mqo s ALA 39 Ca 0.02 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 50.91 3mqo s ALA 39 Cb -0.00 -1.68 0.59 0.00 0.00 0.00 0.00 23.12 22.03 3mqo s ALA 39 CO 0.02 0.53 1.75 -0.09 0.00 0.00 0.00 175.76 177.97 3mqo h ARG 40 N 2.20 0.58 0.00 0.00 2.43 -1.92 -0.32 114.38 117.36 3mqo h ARG 40 Ca -0.48 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 58.65 3mqo h ARG 40 Cb 1.20 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3mqo h ARG 40 CO 0.67 0.38 -0.00 0.00 -1.51 0.00 0.00 179.97 179.52 3mqo h ALA 41 N 1.59 1.64 0.00 2.80 0.00 -1.95 -0.14 119.26 123.20 3mqo h ALA 41 Ca 0.49 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.37 3mqo h ALA 41 Cb 0.75 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3mqo h ALA 41 CO -0.39 0.00 -0.13 -0.44 0.00 0.00 0.00 179.25 178.29 3mqo h ASP 42 N 0.00 0.00 0.00 0.00 3.32 -1.44 -3.32 116.42 114.98 3mqo h ASP 42 Ca -0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3mqo h ASP 42 Cb 0.00 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 3mqo h ASP 42 CO 0.00 0.13 -1.76 0.18 -1.72 0.00 0.00 179.24 176.07 3mqo n LEU 43 N -3.29 0.00 -4.66 1.55 4.77 -0.12 -4.74 117.00 110.52 3mqo n LEU 43 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.56 3mqo n LEU 43 Cb 0.37 0.01 -0.02 0.00 -2.33 0.00 0.00 43.42 41.45 3mqo n LEU 43 CO 0.31 0.01 1.27 -0.63 -1.33 0.00 0.00 177.39 177.02 3mqo s ILE 44 N -3.12 3.84 0.00 -0.08 -1.09 -0.89 -1.82 121.20 118.04 3mqo s ILE 44 Ca -0.06 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 3mqo s ILE 44 Cb 0.10 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.32 3mqo s ILE 44 CO 0.68 -0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.90 3mqo n GLY 45 N 3.98 0.51 3.84 6.18 0.00 0.14 -5.03 105.19 114.81 3mqo n GLY 45 Ca 0.16 -0.28 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 3mqo n GLY 45 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mqo s ARG 46 N -0.56 3.64 0.31 1.61 6.06 -0.75 -4.81 118.95 124.44 3mqo s ARG 46 Ca 0.00 -0.14 -0.29 0.00 -2.50 0.00 0.00 55.73 52.80 3mqo s ARG 46 Cb 0.00 -3.25 -0.11 0.00 0.06 0.00 0.00 34.95 31.65 3mqo s ARG 46 CO 0.00 0.66 1.49 0.45 -2.50 0.00 0.00 175.30 175.39 3mqo s SER 47 N -0.68 6.50 0.61 -2.12 0.15 -1.26 -0.78 113.70 116.12 3mqo s SER 47 Ca 0.13 2.86 0.28 0.00 0.70 0.00 0.00 55.95 59.93 3mqo s SER 47 Cb -0.12 -2.64 1.46 0.00 -1.71 0.00 0.00 66.02 63.01 3mqo s SER 47 CO 0.03 -0.80 1.86 -0.26 1.20 0.00 0.00 173.24 175.27 3mqo h PHE 48 N 4.27 0.00 -1.01 3.44 0.04 -1.19 -2.78 116.94 119.70 3mqo h PHE 48 Ca -0.48 0.00 0.24 0.00 2.80 0.00 0.00 57.97 60.53 3mqo h PHE 48 Cb 1.22 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.27 3mqo h PHE 48 CO 0.57 0.00 0.63 1.49 -0.60 0.00 0.00 178.31 180.40 3mqo h GLU 49 N 0.00 0.52 0.00 1.51 4.22 -1.90 -1.30 114.58 117.63 3mqo h GLU 49 Ca 0.16 -0.03 -0.02 0.00 0.08 0.00 0.00 59.36 59.55 3mqo h GLU 49 Cb 1.11 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.24 3mqo h GLU 49 CO -0.00 0.34 -0.08 -0.39 -2.18 0.00 0.00 179.01 176.70 3mqo h VAL 50 N 0.53 0.23 0.00 0.32 -1.51 -1.88 -2.23 116.25 111.70 3mqo h VAL 50 Ca 0.59 -0.63 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 3mqo h VAL 50 Cb 1.26 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 3mqo h VAL 50 CO -0.35 0.08 -0.24 0.18 -1.23 0.00 0.00 177.57 176.01 3mqo n LEU 51 N -3.25 0.40 -4.90 4.19 4.77 -0.49 -4.89 117.00 112.82 3mqo n LEU 51 Ca -0.00 0.33 -0.28 0.00 -0.03 0.00 0.00 56.01 56.03 3mqo n LEU 51 Cb 0.31 -0.35 0.02 0.00 -2.33 0.00 0.00 43.42 41.07 3mqo n LEU 51 CO 0.29 -0.01 0.57 -0.31 -1.33 0.00 0.00 177.39 176.60 3mqo s TYR 52 N -3.05 3.45 0.33 -1.77 2.02 -0.84 -0.56 117.35 116.93 3mqo s TYR 52 Ca 0.11 0.89 0.24 0.00 -0.37 0.00 0.00 57.07 57.95 3mqo s TYR 52 Cb 0.16 -2.63 1.19 0.00 -0.40 0.00 0.00 41.96 40.28 3mqo s TYR 52 CO 0.62 -0.66 1.96 -1.35 -1.57 0.00 0.00 175.55 174.55 3mqo h PRO 53 N -0.14 0.00 -3.10 -1.71 0.11 -1.86 -3.40 132.00 121.90 3mqo h PRO 53 Ca -0.46 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 3mqo h PRO 53 Cb 1.22 0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.24 3mqo h PRO 53 CO 0.62 0.19 0.15 -1.54 -0.21 0.00 0.00 178.00 177.21 3mqo s SER 54 N -6.28 -0.40 0.30 -2.05 1.04 -1.26 -5.02 113.70 100.02 3mqo s SER 54 Ca -0.02 -0.28 0.02 0.00 0.48 0.00 0.00 55.95 56.15 3mqo s SER 54 Cb 0.12 0.62 0.46 0.00 0.10 0.00 0.00 66.02 67.33 3mqo s SER 54 CO 0.62 -1.07 1.78 0.77 0.98 0.00 0.00 173.24 176.32 3mqo h SER 55 N 2.07 0.54 -0.87 7.02 4.64 -1.88 -2.27 113.55 122.80 3mqo h SER 55 Ca -0.29 -0.14 0.01 0.00 -0.47 0.00 0.00 61.79 60.89 3mqo h SER 55 Cb 1.28 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 63.18 3mqo h SER 55 CO 0.35 0.69 0.56 0.44 -0.87 0.00 0.00 176.83 178.00 3mqo h ASP 56 N 0.51 1.01 -0.48 4.97 3.32 -1.98 -1.13 116.42 122.64 3mqo h ASP 56 Ca 0.09 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 3mqo h ASP 56 Cb 0.51 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3mqo h ASP 56 CO 0.03 0.74 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.84 3mqo h GLU 57 N 1.18 0.92 -0.78 3.56 4.39 -1.87 0.86 114.58 122.84 3mqo h GLU 57 Ca 0.32 -0.36 0.04 0.00 0.34 0.00 0.00 59.36 59.70 3mqo h GLU 57 Cb -0.12 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.43 3mqo h GLU 57 CO -0.07 1.01 0.49 0.35 -1.16 0.00 0.00 179.01 179.64 3mqo h PHE 58 N 0.77 0.92 -0.05 4.33 3.57 -1.15 -0.21 116.94 125.12 3mqo h PHE 58 Ca 0.12 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 3mqo h PHE 58 Cb 0.68 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.12 3mqo h PHE 58 CO 0.05 0.51 -0.02 0.93 -2.23 0.00 0.00 178.31 177.55 3mqo h GLU 59 N 0.94 0.10 -0.28 1.11 4.39 -0.96 -2.38 114.58 117.49 3mqo h GLU 59 Ca 0.32 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.98 3mqo h GLU 59 Cb 0.06 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.69 3mqo h GLU 59 CO -0.13 0.45 0.18 -0.09 -1.16 0.00 0.00 179.01 178.26 3mqo h ARG 60 N -0.26 0.38 -0.02 2.33 2.43 -0.62 -2.26 114.38 116.37 3mqo h ARG 60 Ca 0.01 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 3mqo h ARG 60 Cb 0.42 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.87 3mqo h ARG 60 CO 0.01 0.27 -0.61 0.82 -1.51 0.00 0.00 179.97 178.94 3mqo h ILE 61 N 0.37 1.42 -0.84 1.20 2.04 -1.12 -2.29 117.51 118.30 3mqo h ILE 61 Ca 0.10 -2.07 0.02 0.00 1.00 0.00 0.00 64.86 63.91 3mqo h ILE 61 Cb -0.02 2.10 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 3mqo h ILE 61 CO -0.02 0.60 0.55 1.23 0.00 0.00 0.00 178.15 180.50 3mqo h GLY 62 N 1.72 1.19 2.00 5.37 0.00 -1.12 0.14 103.07 112.38 3mqo h GLY 62 Ca -0.01 -0.43 -0.07 0.00 0.00 0.00 0.00 47.33 46.83 3mqo h GLY 62 CO 0.08 0.40 -0.34 0.83 0.00 0.00 0.00 176.54 177.51 3mqo h GLU 63 N 1.10 0.00 -0.01 4.80 5.08 -1.09 -2.27 114.58 122.20 3mqo h GLU 63 Ca 0.32 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.45 3mqo h GLU 63 Cb -0.07 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.18 3mqo h GLU 63 CO -0.09 0.34 -0.95 0.00 -1.00 0.00 0.00 179.01 177.31 3mqo h ARG 64 N 0.00 0.47 0.07 2.33 3.08 -0.88 -3.36 114.38 116.10 3mqo h ARG 64 Ca -0.00 -0.50 -0.00 0.00 0.07 0.00 0.00 59.98 59.54 3mqo h ARG 64 Cb 0.77 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.96 3mqo h ARG 64 CO 0.04 1.15 -0.03 0.82 -1.07 0.00 0.00 179.97 180.88 3mqo h ILE 65 N 0.27 1.11 -0.12 2.04 2.04 -0.74 -3.34 117.51 118.76 3mqo h ILE 65 Ca -0.09 -0.61 0.03 0.00 1.00 0.00 0.00 64.86 65.20 3mqo h ILE 65 Cb 1.59 1.50 -0.06 0.00 -0.74 0.00 0.00 36.82 39.11 3mqo h ILE 65 CO 0.17 0.15 -0.51 0.28 0.00 0.00 0.00 178.15 178.25 3mqo h SER 66 N -0.36 -1.59 -0.58 1.72 0.02 -1.55 -2.55 113.55 108.65 3mqo h SER 66 Ca -0.01 0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 3mqo h SER 66 Cb 0.32 0.63 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 3mqo h SER 66 CO 0.02 -0.47 0.28 -0.65 -1.14 0.00 0.00 176.83 174.86 3mqo h PRO 67 N -0.57 0.87 -0.36 3.45 0.11 -1.74 -0.36 132.00 133.41 3mqo h PRO 67 Ca 0.05 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 66.04 3mqo h PRO 67 Cb 0.67 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3mqo h PRO 67 CO -0.42 0.68 0.00 0.28 -0.21 0.00 0.00 178.00 178.33 3mqo n VAL 68 N -4.34 0.00 0.00 3.15 0.31 -0.96 -1.23 118.33 115.25 3mqo n VAL 68 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3mqo n VAL 68 Cb 0.14 -0.18 0.00 0.00 -0.91 0.00 0.00 33.84 32.89 3mqo n VAL 68 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3mqo n ILE 70 N 0.33 0.00 -0.14 2.52 5.41 -0.14 -1.20 119.36 126.14 3mqo n ILE 70 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 3mqo n ILE 70 Cb 0.09 0.00 0.14 0.00 -0.71 0.00 0.00 39.64 39.16 3mqo n ILE 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3mqo h ALA 71 N 0.00 1.08 0.00 -1.39 0.00 -1.41 -3.36 119.26 114.18 3mqo h ALA 71 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3mqo h ALA 71 Cb 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3mqo h ALA 71 CO 0.00 0.59 -1.17 0.72 0.00 0.00 0.00 179.25 179.39 3mqo n HIS 72 N -4.23 0.00 -0.72 0.00 8.25 -0.34 -5.02 115.22 113.17 3mqo n HIS 72 Ca 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 3mqo n HIS 72 Cb 0.28 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.27 3mqo n HIS 72 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3mqo n GLY 73 N 2.05 1.14 3.46 -1.41 0.00 -1.26 -4.99 105.19 104.18 3mqo n GLY 73 Ca -0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 3mqo n GLY 73 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3mqo s SER 74 N -3.10 -0.13 -0.06 1.61 1.04 -1.26 -4.41 113.70 107.39 3mqo s SER 74 Ca 0.00 -0.66 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 3mqo s SER 74 Cb 0.00 0.52 0.02 0.00 0.10 0.00 0.00 66.02 66.67 3mqo s SER 74 CO 0.00 -1.00 0.28 -0.47 0.98 0.00 0.00 173.24 173.03 3mqo s TYR 75 N -3.92 -0.23 -0.19 5.02 5.04 -0.46 -4.90 117.35 117.71 3mqo s TYR 75 Ca 0.13 0.48 -0.19 0.00 -2.44 0.00 0.00 57.07 55.06 3mqo s TYR 75 Cb 0.01 0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.45 3mqo s TYR 75 CO -0.01 -0.26 0.53 0.00 -1.34 0.00 0.00 175.55 174.46 3mqo s ALA 76 N -0.59 -1.30 0.38 3.97 0.00 -1.26 -0.76 121.76 122.20 3mqo s ALA 76 Ca -0.07 1.45 -0.12 0.00 0.00 0.00 0.00 51.96 53.22 3mqo s ALA 76 Cb -0.04 -0.82 0.04 0.00 0.00 0.00 0.00 23.12 22.31 3mqo s ALA 76 CO 0.02 -0.25 0.72 0.16 0.00 0.00 0.00 175.76 176.41 3mqo s ASP 77 N 0.20 0.25 -0.01 0.00 1.47 -0.23 -5.01 116.67 113.34 3mqo s ASP 77 Ca -0.01 -1.26 0.08 0.00 1.18 0.00 0.00 52.55 52.55 3mqo s ASP 77 Cb -0.04 0.82 -0.02 0.00 -0.34 0.00 0.00 42.92 43.34 3mqo s ASP 77 CO 0.01 -1.62 -0.25 -1.81 0.68 0.00 0.00 175.17 172.18 3mqo s ASP 78 N -3.12 2.96 0.13 2.11 1.01 -1.26 -1.54 116.67 116.95 3mqo s ASP 78 Ca 0.19 -0.46 -0.15 0.00 0.71 0.00 0.00 52.55 52.83 3mqo s ASP 78 Cb -0.04 -0.32 0.03 0.00 1.01 0.00 0.00 42.92 43.60 3mqo s ASP 78 CO 0.14 0.30 0.39 0.00 0.21 0.00 0.00 175.17 176.21 3mqo s ARG 79 N -0.64 1.06 0.74 8.23 3.03 -0.51 -4.97 118.95 125.90 3mqo s ARG 79 Ca 0.10 -0.74 -0.11 0.00 2.03 0.00 0.00 55.73 57.00 3mqo s ARG 79 Cb -0.10 0.46 0.03 0.00 -1.03 0.00 0.00 34.95 34.32 3mqo s ARG 79 CO -0.01 -0.41 1.08 0.42 -1.13 0.00 0.00 175.30 175.25 3mqo s ILE 80 N -3.81 3.53 -0.20 4.99 1.01 -1.26 -0.61 121.20 124.84 3mqo s ILE 80 Ca 0.04 0.50 -0.07 0.00 0.00 0.00 0.00 60.65 61.11 3mqo s ILE 80 Cb 0.02 -3.31 0.09 0.00 0.01 0.00 0.00 42.46 39.27 3mqo s ILE 80 CO -0.11 -0.65 0.43 -0.75 0.00 0.00 0.00 174.94 173.86 3mqo s LYS 82 N -5.17 0.34 0.71 2.79 2.20 0.27 -4.48 119.74 116.40 3mqo s LYS 82 Ca 0.59 1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 57.12 3mqo s LYS 82 Cb -0.13 0.34 0.02 0.00 -1.51 0.00 0.00 37.83 36.55 3mqo s LYS 82 CO 0.54 -0.24 1.09 1.03 -0.36 0.00 0.00 175.35 177.41 3mqo s ARG 83 N 2.57 2.62 0.21 4.03 0.52 0.42 -4.66 118.95 124.66 3mqo s ARG 83 Ca -0.02 1.23 -0.32 0.00 -0.52 0.00 0.00 55.73 56.09 3mqo s ARG 83 Cb -0.12 -1.94 -0.14 0.00 0.52 0.00 0.00 34.95 33.28 3mqo s ARG 83 CO -0.13 -1.37 1.48 0.00 0.02 0.00 0.00 175.30 175.30 3mqo n ALA 84 N -2.95 1.26 0.00 2.13 0.00 -0.09 -1.02 120.51 119.85 3mqo n ALA 84 Ca 0.09 0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.96 3mqo n ALA 84 Cb 0.53 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.66 3mqo n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3mqo n GLY 85 N 2.64 3.11 0.00 0.00 0.00 -1.26 -4.58 105.19 105.10 3mqo n GLY 85 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3mqo n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3mqo n GLY 86 N -2.00 0.86 3.71 -0.02 0.00 -0.19 -5.07 105.19 102.48 3mqo n GLY 86 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3mqo n GLY 86 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3mqo s GLU 87 N -0.49 4.17 0.04 1.61 2.12 -1.25 -4.66 118.70 120.24 3mqo s GLU 87 Ca 0.00 2.49 -0.13 0.00 0.36 0.00 0.00 54.97 57.69 3mqo s GLU 87 Cb 0.00 -3.23 -0.06 0.00 0.26 0.00 0.00 34.13 31.11 3mqo s GLU 87 CO 0.00 -0.71 0.42 -0.51 -0.54 0.00 0.00 175.26 173.92 3mqo s LEU 88 N 1.53 4.43 0.05 2.70 1.43 -1.26 -0.44 118.68 127.11 3mqo s LEU 88 Ca 0.74 0.92 -0.21 0.00 -1.03 0.00 0.00 54.13 54.55 3mqo s LEU 88 Cb -0.46 -2.77 0.05 0.00 0.03 0.00 0.00 46.19 43.04 3mqo s LEU 88 CO 0.32 0.26 0.47 0.72 0.23 0.00 0.00 176.35 178.36 3mqo s PHE 89 N -1.21 -0.36 0.14 0.29 -0.12 -1.26 -4.99 117.98 110.48 3mqo s PHE 89 Ca 0.28 0.36 -0.30 0.00 -0.05 0.00 0.00 56.93 57.23 3mqo s PHE 89 Cb -0.16 0.29 -0.07 0.00 -0.63 0.00 0.00 43.02 42.46 3mqo s PHE 89 CO 0.15 -0.61 0.95 -1.58 -0.05 0.00 0.00 175.22 174.08 3mqo s TRP 90 N -2.46 3.86 -0.04 3.49 0.52 -1.26 -4.26 118.94 118.78 3mqo s TRP 90 Ca -0.05 1.82 0.00 0.00 0.02 0.00 0.00 56.10 57.89 3mqo s TRP 90 Cb -0.01 -3.02 0.02 0.00 -1.15 0.00 0.00 33.47 29.32 3mqo s TRP 90 CO -0.02 0.28 -0.02 0.00 0.02 0.00 0.00 176.95 177.21 3mqo s HIS 92 N 1.09 3.56 -0.04 0.00 2.46 -0.03 -1.42 115.29 120.92 3mqo s HIS 92 Ca -0.09 1.15 0.04 0.00 0.47 0.00 0.00 55.06 56.63 3mqo s HIS 92 Cb -0.14 -2.73 -0.00 0.00 -0.13 0.00 0.00 32.58 29.58 3mqo s HIS 92 CO -0.01 0.12 -0.14 0.08 -2.47 0.00 0.00 174.74 172.32 3mqo s VAL 93 N 0.72 1.18 0.12 0.89 1.01 -0.59 -1.21 120.40 122.51 3mqo s VAL 93 Ca 0.34 -0.57 0.06 0.00 0.00 0.00 0.00 61.98 61.81 3mqo s VAL 93 Cb -0.17 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3mqo s VAL 93 CO 0.16 0.35 -0.14 0.42 0.00 0.00 0.00 175.10 175.89 3mqo s THR 94 N 0.12 1.31 -0.08 3.92 -4.23 -0.82 -1.06 115.64 114.79 3mqo s THR 94 Ca -0.04 -1.66 -0.15 0.00 -1.18 0.00 0.00 61.69 58.65 3mqo s THR 94 Cb -0.11 -1.48 0.03 0.00 1.34 0.00 0.00 72.50 72.29 3mqo s THR 94 CO 0.02 -0.39 0.38 -0.83 -0.54 0.00 0.00 174.62 173.25 3mqo s GLY 95 N -2.36 -0.25 -0.11 3.99 0.00 0.06 -0.47 107.32 108.19 3mqo s GLY 95 Ca 0.08 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 45.56 3mqo s GLY 95 CO 0.03 0.59 -0.03 -1.60 0.00 0.00 0.00 173.10 172.09 3mqo s ARG 96 N -0.56 1.01 0.41 2.90 3.52 -0.06 -1.35 118.95 124.81 3mqo s ARG 96 Ca -0.07 -0.13 -0.24 0.00 -0.13 0.00 0.00 55.73 55.16 3mqo s ARG 96 Cb -0.04 -1.40 -0.09 0.00 -1.56 0.00 0.00 34.95 31.87 3mqo s ARG 96 CO 0.03 -0.34 1.07 0.00 -0.81 0.00 0.00 175.30 175.26 3mqo s ALA 97 N 1.84 3.07 0.39 6.12 0.00 -1.26 -1.24 121.76 130.68 3mqo s ALA 97 Ca 0.04 0.75 0.06 0.00 0.00 0.00 0.00 51.96 52.81 3mqo s ALA 97 Cb -0.13 -3.30 0.79 0.00 0.00 0.00 0.00 23.12 20.48 3mqo s ALA 97 CO -0.07 -0.30 2.03 -0.07 0.00 0.00 0.00 175.76 177.35 3mqo h LEU 98 N 2.44 0.52 -7.35 0.00 4.07 -1.53 -3.39 115.31 110.07 3mqo h LEU 98 Ca -0.48 -0.02 -0.45 0.00 0.08 0.00 0.00 57.88 57.00 3mqo h LEU 98 Cb 1.22 -0.13 -0.39 0.00 1.08 0.00 0.00 40.66 42.44 3mqo h LEU 98 CO 0.62 0.40 -0.76 -0.62 -1.08 0.00 0.00 178.44 177.00 3mqo s ASP 99 N -6.65 1.99 0.55 -0.43 -1.08 -1.26 -5.04 116.67 104.75 3mqo s ASP 99 Ca -0.08 -0.33 0.22 0.00 -0.52 0.00 0.00 52.55 51.83 3mqo s ASP 99 Cb 0.17 -0.43 1.46 0.00 -1.46 0.00 0.00 42.92 42.67 3mqo s ASP 99 CO 0.74 -0.25 2.14 0.08 0.52 0.00 0.00 175.17 178.40 3mqo h ARG 100 N 8.33 0.00 0.00 4.34 0.11 -1.92 0.16 114.38 125.40 3mqo h ARG 100 Ca -0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.91 3mqo h ARG 100 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 3mqo h ARG 100 CO 0.27 0.00 0.00 0.25 0.10 0.00 0.00 179.97 180.59 3mqo n THR 101 N -4.26 0.11 -3.22 0.08 -2.24 -1.26 -3.33 114.28 100.15 3mqo n THR 101 Ca -0.00 0.03 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 3mqo n THR 101 Cb 0.20 -0.58 -0.06 0.00 -2.10 0.00 0.00 70.33 67.79 3mqo n THR 101 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3mqo n ALA 102 N -1.25 3.82 0.18 6.98 0.00 0.57 -5.00 120.51 125.80 3mqo n ALA 102 Ca 0.14 -4.42 0.04 0.00 0.00 0.00 0.00 53.44 49.19 3mqo n ALA 102 Cb 0.20 -0.84 0.45 0.00 0.00 0.00 0.00 19.45 19.26 3mqo n ALA 102 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3mqo h PRO 103 N 3.69 0.10 -0.39 0.00 0.13 -1.63 -1.93 132.00 131.98 3mqo h PRO 103 Ca 0.15 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 3mqo h PRO 103 Cb 0.68 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3mqo h PRO 103 CO 0.75 0.27 0.00 1.28 -0.23 0.00 0.00 178.00 180.07 3mqo n LEU 104 N -4.29 4.32 0.00 1.56 4.77 -1.26 -4.63 117.00 117.46 3mqo n LEU 104 Ca -0.02 -2.82 0.00 0.00 -0.03 0.00 0.00 56.01 53.14 3mqo n LEU 104 Cb 0.26 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3mqo n LEU 104 CO 0.37 0.69 0.00 0.00 -1.33 0.00 0.00 177.39 177.12 3mqo n ALA 105 N 0.06 0.00 -1.62 -1.18 0.00 -0.73 -2.77 120.51 114.28 3mqo n ALA 105 Ca 0.22 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 53.19 3mqo n ALA 105 Cb 0.91 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.33 3mqo n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mqo n ALA 106 N -3.00 0.01 -3.74 0.00 0.00 -1.26 -3.63 120.51 108.89 3mqo n ALA 106 Ca 0.00 0.44 -0.03 0.00 0.00 0.00 0.00 53.44 53.85 3mqo n ALA 106 Cb 0.00 -2.12 -0.01 0.00 0.00 0.00 0.00 19.45 17.31 3mqo n ALA 106 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3mqo s GLY 107 N 0.07 -0.25 -0.18 0.00 0.00 -0.70 -1.39 107.32 104.87 3mqo s GLY 107 Ca 0.70 0.18 -0.03 0.00 0.00 0.00 0.00 44.72 45.56 3mqo s GLY 107 CO 0.52 0.01 -0.04 0.14 0.00 0.00 0.00 173.10 173.73 3mqo s VAL 108 N -3.22 3.66 0.00 1.40 1.01 -0.38 -1.05 120.40 121.83 3mqo s VAL 108 Ca 0.12 -0.42 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3mqo s VAL 108 Cb -0.01 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 3mqo s VAL 108 CO 0.02 0.47 -0.19 0.26 0.00 0.00 0.00 175.10 175.65 3mqo s TRP 109 N 0.77 1.73 0.08 5.22 0.52 -0.12 -0.88 118.94 126.26 3mqo s TRP 109 Ca -0.02 -0.34 0.10 0.00 0.02 0.00 0.00 56.10 55.86 3mqo s TRP 109 Cb -0.15 -1.09 -0.03 0.00 -1.15 0.00 0.00 33.47 31.05 3mqo s TRP 109 CO 0.02 0.00 -0.26 0.95 0.02 0.00 0.00 176.95 177.68 3mqo s THR 110 N -0.56 2.17 -0.03 2.01 -4.23 0.38 -0.21 115.64 115.18 3mqo s THR 110 Ca 0.07 -1.55 0.01 0.00 -1.18 0.00 0.00 61.69 59.04 3mqo s THR 110 Cb -0.08 -1.89 0.02 0.00 1.34 0.00 0.00 72.50 71.89 3mqo s THR 110 CO -0.00 0.22 -0.04 -0.36 -0.54 0.00 0.00 174.62 173.91 3mqo s PHE 111 N -0.93 0.60 -0.02 3.99 0.08 -0.08 -1.94 117.98 119.68 3mqo s PHE 111 Ca 0.12 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 57.04 3mqo s PHE 111 Cb -0.10 -0.52 0.02 0.00 -0.57 0.00 0.00 43.02 41.85 3mqo s PHE 111 CO 0.04 -0.13 0.02 -2.00 -0.10 0.00 0.00 175.22 173.05 3mqo s GLU 112 N 0.64 0.01 -0.13 0.44 2.12 -0.35 -0.84 118.70 120.59 3mqo s GLU 112 Ca -0.08 0.13 -0.29 0.00 0.36 0.00 0.00 54.97 55.09 3mqo s GLU 112 Cb -0.11 -0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.05 3mqo s GLU 112 CO -0.00 -0.12 1.10 0.34 -0.54 0.00 0.00 175.26 176.04 3mqo s ASP 113 N 0.81 7.12 0.06 -1.70 -1.08 -1.26 -0.85 116.67 119.76 3mqo s ASP 113 Ca -0.07 1.59 0.24 0.00 -0.52 0.00 0.00 52.55 53.79 3mqo s ASP 113 Cb -0.10 -2.55 0.32 0.00 -1.46 0.00 0.00 42.92 39.13 3mqo s ASP 113 CO -0.02 -0.58 1.28 0.18 0.52 0.00 0.00 175.17 176.54 3mqo n LEU 114 N 5.62 0.61 0.21 -1.34 4.77 -0.25 -3.78 117.00 122.83 3mqo n LEU 114 Ca 0.11 0.08 0.12 0.00 -0.03 0.00 0.00 56.01 56.29 3mqo n LEU 114 Cb 0.47 -0.18 0.16 0.00 -2.33 0.00 0.00 43.42 41.54 3mqo n LEU 114 CO 0.53 0.03 0.76 0.77 -1.33 0.00 0.00 177.39 178.16 3mqo h SER 115 N 0.00 0.00 -0.01 -1.43 4.64 -1.92 -3.49 113.55 111.34 3mqo h SER 115 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3mqo h SER 115 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3mqo h SER 115 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96