#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lui s HIS 2 N 0.00 3.10 0.15 3.17 2.46 -1.26 -4.89 115.29 118.02 3lui s HIS 2 Ca 0.00 0.45 -0.20 0.00 0.47 0.00 0.00 55.06 55.78 3lui s HIS 2 Cb 0.00 -3.41 -0.08 0.00 -0.13 0.00 0.00 32.58 28.97 3lui s HIS 2 CO 0.00 -0.76 0.67 -0.06 -2.47 0.00 0.00 174.74 172.12 3lui s PHE 3 N 3.07 3.77 0.18 3.88 0.40 -1.26 -1.05 117.98 126.97 3lui s PHE 3 Ca 0.30 1.38 -0.09 0.00 -0.60 0.00 0.00 56.93 57.92 3lui s PHE 3 Cb -0.13 -2.59 -0.01 0.00 0.51 0.00 0.00 43.02 40.80 3lui s PHE 3 CO 0.18 0.48 0.32 -1.54 0.70 0.00 0.00 175.22 175.35 3lui s SER 4 N -1.34 0.01 -0.57 1.36 1.04 -0.63 -4.84 113.70 108.72 3lui s SER 4 Ca 0.36 -0.89 0.05 0.00 0.48 0.00 0.00 55.95 55.95 3lui s SER 4 Cb -0.19 0.46 0.19 0.00 0.10 0.00 0.00 66.02 66.58 3lui s SER 4 CO 0.22 -0.94 0.50 -0.38 0.98 0.00 0.00 173.24 173.61 3lui n ILE 5 N -0.25 0.64 0.46 -1.02 5.41 -1.26 -0.86 119.36 122.48 3lui n ILE 5 Ca -0.06 -4.40 0.12 0.00 1.00 0.00 0.00 62.75 59.41 3lui n ILE 5 Cb 0.63 -1.99 0.47 0.00 -0.71 0.00 0.00 39.64 38.04 3lui n ILE 5 CO 0.00 0.00 0.00 -0.81 0.00 0.00 0.00 176.55 175.74 3lui n PRO 6 N 1.96 0.22 -3.80 0.38 -0.04 -1.24 -4.82 135.00 127.67 3lui n PRO 6 Ca 0.25 0.37 -0.13 0.00 -0.04 0.00 0.00 63.50 63.95 3lui n PRO 6 Cb 0.42 -1.86 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 3lui n PRO 6 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 3lui s GLU 7 N -3.26 0.20 0.29 0.54 2.12 -1.26 -5.08 118.70 112.25 3lui s GLU 7 Ca 0.06 0.27 0.09 0.00 0.36 0.00 0.00 54.97 55.75 3lui s GLU 7 Cb 0.10 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.52 3lui s GLU 7 CO 0.46 -0.04 0.05 0.95 -0.54 0.00 0.00 175.26 176.13 3lui s THR 8 N 0.23 3.35 -0.10 -1.70 -4.23 -1.26 -1.23 115.64 110.69 3lui s THR 8 Ca -0.01 -1.82 -0.05 0.00 -1.18 0.00 0.00 61.69 58.63 3lui s THR 8 Cb -0.02 -2.91 0.04 0.00 1.34 0.00 0.00 72.50 70.95 3lui s THR 8 CO -0.01 -0.31 0.23 -0.70 -0.54 0.00 0.00 174.62 173.29 3lui s GLU 9 N -3.73 0.19 -0.41 3.99 2.12 -0.15 -4.96 118.70 115.75 3lui s GLU 9 Ca 0.33 0.49 -0.26 0.00 0.36 0.00 0.00 54.97 55.90 3lui s GLU 9 Cb -0.05 -0.13 0.02 0.00 0.26 0.00 0.00 34.13 34.24 3lui s GLU 9 CO 0.21 -0.16 0.95 -1.12 -0.54 0.00 0.00 175.26 174.60 3lui s SER 10 N 1.21 6.61 0.00 -1.70 0.01 -1.26 0.04 113.70 118.61 3lui s SER 10 Ca -0.09 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.58 3lui s SER 10 Cb -0.10 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3lui s SER 10 CO -0.08 -0.97 0.00 -1.14 0.41 0.00 0.00 173.24 171.46 3lui n ARG 11 N 7.04 3.89 -1.88 12.44 0.63 0.35 -4.94 116.66 134.19 3lui n ARG 11 Ca 0.07 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.00 3lui n ARG 11 Cb 0.48 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.39 3lui n ARG 11 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3lui n GLY 17 N 5.00 -4.17 3.77 5.14 0.00 -1.26 -2.53 105.19 111.14 3lui n GLY 17 Ca 0.00 -0.31 -0.37 0.00 0.00 0.00 0.00 46.02 45.34 3lui n GLY 17 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3lui s SER 18 N -1.68 6.22 0.69 1.61 0.15 -1.26 -4.99 113.70 114.44 3lui s SER 18 Ca 0.00 2.29 -0.17 0.00 0.70 0.00 0.00 55.95 58.77 3lui s SER 18 Cb 0.00 -2.60 0.01 0.00 -1.71 0.00 0.00 66.02 61.72 3lui s SER 18 CO 0.00 -0.88 1.25 0.00 1.20 0.00 0.00 173.24 174.81 3lui s ALA 19 N -1.55 2.25 0.12 5.45 0.00 -1.26 -5.04 121.76 121.72 3lui s ALA 19 Ca 0.63 1.07 -0.11 0.00 0.00 0.00 0.00 51.96 53.55 3lui s ALA 19 Cb -0.28 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.33 3lui s ALA 19 CO 0.34 -1.73 0.29 1.52 0.00 0.00 0.00 175.76 176.18 3lui s TYR 20 N -1.66 0.08 -0.14 0.00 -0.85 -1.05 -4.99 117.35 108.74 3lui s TYR 20 Ca 0.79 -0.46 -0.20 0.00 -0.52 0.00 0.00 57.07 56.67 3lui s TYR 20 Cb -0.34 0.06 -0.03 0.00 0.38 0.00 0.00 41.96 42.03 3lui s TYR 20 CO 0.42 -0.65 0.59 0.08 -1.52 0.00 0.00 175.55 174.48 3lui s VAL 21 N -3.87 5.08 -0.09 -3.49 1.01 -1.26 -0.49 120.40 117.29 3lui s VAL 21 Ca 0.07 1.16 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 3lui s VAL 21 Cb 0.03 -3.92 -0.03 0.00 0.00 0.00 0.00 36.38 32.46 3lui s VAL 21 CO -0.09 0.21 0.01 0.00 0.00 0.00 0.00 175.10 175.24 3lui s ALA 22 N 1.27 3.34 -0.25 5.51 0.00 0.11 -4.35 121.76 127.38 3lui s ALA 22 Ca 0.30 -0.79 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 3lui s ALA 22 Cb -0.16 -1.54 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3lui s ALA 22 CO 0.12 0.57 0.10 0.71 0.00 0.00 0.00 175.76 177.27 3lui s TYR 23 N -0.84 3.15 -0.62 0.00 2.02 0.12 -0.97 117.35 120.21 3lui s TYR 23 Ca 0.13 -0.18 -0.22 0.00 -0.37 0.00 0.00 57.07 56.43 3lui s TYR 23 Cb -0.11 -2.25 0.07 0.00 -0.40 0.00 0.00 41.96 39.27 3lui s TYR 23 CO 0.02 -0.21 0.89 -0.80 -1.57 0.00 0.00 175.55 173.89 3lui s ASN 24 N 1.43 6.20 -0.27 2.29 0.02 -0.37 -1.44 114.94 122.80 3lui s ASN 24 Ca 0.06 -0.98 -0.24 0.00 -1.02 0.00 0.00 52.86 50.69 3lui s ASN 24 Cb -0.15 -2.39 -0.00 0.00 0.02 0.00 0.00 41.25 38.73 3lui s ASN 24 CO 0.05 -1.32 0.79 -0.63 0.02 0.00 0.00 177.10 176.02 3lui s ILE 25 N 3.70 4.84 -0.02 0.60 1.01 -0.08 -3.59 121.20 127.66 3lui s ILE 25 Ca 0.21 1.38 -0.07 0.00 0.00 0.00 0.00 60.65 62.17 3lui s ILE 25 Cb -0.18 -4.10 -0.05 0.00 0.01 0.00 0.00 42.46 38.14 3lui s ILE 25 CO 0.11 -0.12 0.24 -1.00 0.00 0.00 0.00 174.94 174.16 3lui s HIS 26 N 2.84 3.59 -0.16 3.97 3.76 -0.04 -0.08 115.29 129.18 3lui s HIS 26 Ca 0.33 0.57 0.01 0.00 -0.15 0.00 0.00 55.06 55.83 3lui s HIS 26 Cb -0.15 -1.98 0.02 0.00 1.11 0.00 0.00 32.58 31.57 3lui s HIS 26 CO 0.09 0.65 -0.19 0.08 -0.85 0.00 0.00 174.74 174.52 3lui s VAL 27 N -1.22 1.93 -1.47 -0.90 1.01 0.84 -1.60 120.40 118.98 3lui s VAL 27 Ca 0.24 -0.87 -0.07 0.00 0.00 0.00 0.00 61.98 61.28 3lui s VAL 27 Cb -0.13 -1.74 0.05 0.00 0.00 0.00 0.00 36.38 34.56 3lui s VAL 27 CO 0.13 0.52 0.72 0.59 0.00 0.00 0.00 175.10 177.06 3lui n ASN 28 N 4.47 -2.34 -0.24 3.32 3.02 -0.21 -2.26 115.26 121.01 3lui n ASN 28 Ca -0.20 -0.89 -0.03 0.00 -0.03 0.00 0.00 54.58 53.43 3lui n ASN 28 Cb 0.50 -3.50 -0.01 0.00 -0.61 0.00 0.00 39.78 36.16 3lui n ASN 28 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3lui n GLY 29 N -1.70 0.63 3.05 7.41 0.00 -1.26 -5.02 105.19 108.29 3lui n GLY 29 Ca -0.14 -0.56 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 3lui n GLY 29 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3lui s VAL 30 N -2.04 0.89 -0.04 1.61 1.01 -0.96 -5.09 120.40 115.79 3lui s VAL 30 Ca 0.00 -0.46 -0.35 0.00 0.00 0.00 0.00 61.98 61.18 3lui s VAL 30 Cb 0.00 -0.76 -0.13 0.00 0.00 0.00 0.00 36.38 35.49 3lui s VAL 30 CO 0.00 0.26 1.77 -0.11 0.00 0.00 0.00 175.10 177.02 3lui n LEU 31 N 3.00 3.18 -0.11 3.92 7.94 -1.26 -0.11 117.00 133.55 3lui n LEU 31 Ca -0.16 1.02 -0.23 0.00 -1.11 0.00 0.00 56.01 55.53 3lui n LEU 31 Cb 0.55 -1.35 -0.09 0.00 0.53 0.00 0.00 43.42 43.06 3lui n LEU 31 CO 0.25 -0.19 -1.27 1.57 -1.11 0.00 0.00 177.39 176.63 3lui n HIS 32 N 5.54 0.00 -3.60 1.96 -0.00 0.89 -4.83 115.22 115.18 3lui n HIS 32 Ca 0.21 0.00 -0.16 0.00 -0.00 0.00 0.00 57.72 57.77 3lui n HIS 32 Cb 0.27 -0.82 -0.07 0.00 -0.00 0.00 0.00 29.99 29.37 3lui n HIS 32 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3lui s ARG 34 N -1.10 3.78 0.08 0.00 0.52 -1.26 -0.90 118.95 120.07 3lui s ARG 34 Ca -0.11 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.73 3lui s ARG 34 Cb -0.02 -3.43 -0.03 0.00 0.52 0.00 0.00 34.95 31.99 3lui s ARG 34 CO 0.08 -0.15 -0.11 0.14 0.02 0.00 0.00 175.30 175.28 3lui s VAL 35 N 1.56 0.90 0.45 3.52 -7.23 -0.52 -4.84 120.40 114.25 3lui s VAL 35 Ca 0.06 -1.42 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 3lui s VAL 35 Cb -0.15 -1.11 -0.00 0.00 0.56 0.00 0.00 36.38 35.67 3lui s VAL 35 CO 0.06 -0.42 0.67 0.00 -0.31 0.00 0.00 175.10 175.10 3lui s ARG 36 N -2.22 3.05 0.26 4.82 1.70 -1.26 0.11 118.95 125.42 3lui s ARG 36 Ca -0.00 -0.50 -0.01 0.00 -0.47 0.00 0.00 55.73 54.75 3lui s ARG 36 Cb -0.06 -2.56 0.55 0.00 -0.57 0.00 0.00 34.95 32.30 3lui s ARG 36 CO 0.01 -0.28 1.76 -0.92 -1.08 0.00 0.00 175.30 174.78 3lui h TYR 37 N 0.39 0.76 -0.15 5.89 3.20 -1.99 -1.20 116.97 123.86 3lui h TYR 37 Ca -0.46 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.42 3lui h TYR 37 Cb 1.25 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 3lui h TYR 37 CO 0.45 0.16 -0.02 0.66 -1.64 0.00 0.00 178.16 177.77 3lui h SER 38 N 0.61 0.20 -0.20 -2.11 4.64 -1.95 0.17 113.55 114.90 3lui h SER 38 Ca 0.47 -0.02 -0.07 0.00 -0.47 0.00 0.00 61.79 61.69 3lui h SER 38 Cb 0.68 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 3lui h SER 38 CO -0.37 0.26 -0.15 1.56 -0.87 0.00 0.00 176.83 177.26 3lui h GLN 39 N 0.22 0.46 -0.50 4.77 4.20 -1.61 -1.30 115.11 121.35 3lui h GLN 39 Ca 0.05 -0.22 -0.06 0.00 0.06 0.00 0.00 58.65 58.48 3lui h GLN 39 Cb 0.19 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.94 3lui h GLN 39 CO 0.01 0.78 0.06 -0.07 -0.67 0.00 0.00 178.83 178.94 3lui h LEU 40 N 0.14 0.74 -0.49 1.46 3.38 -1.15 -1.44 115.31 117.95 3lui h LEU 40 Ca 0.04 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 3lui h LEU 40 Cb 0.67 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3lui h LEU 40 CO 0.04 0.78 0.30 0.25 0.09 0.00 0.00 178.44 179.89 3lui h LEU 41 N 0.75 0.59 -0.56 1.67 5.85 -0.62 -0.39 115.31 122.58 3lui h LEU 41 Ca 0.16 -0.06 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3lui h LEU 41 Cb 0.37 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.18 3lui h LEU 41 CO 0.01 0.47 0.18 1.23 -0.34 0.00 0.00 178.44 179.99 3lui h GLY 42 N 0.65 0.76 0.43 3.75 0.00 -0.85 0.14 103.07 107.95 3lui h GLY 42 Ca 0.18 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.45 3lui h GLY 42 CO -0.03 -0.04 -0.25 -2.00 0.00 0.00 0.00 176.54 174.21 3lui h LEU 43 N 0.34 -0.75 -0.76 3.11 5.85 -0.91 -1.63 115.31 120.56 3lui h LEU 43 Ca 0.28 0.10 0.10 0.00 0.84 0.00 0.00 57.88 59.21 3lui h LEU 43 Cb 0.36 0.31 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 3lui h LEU 43 CO -0.31 -0.33 0.39 -0.74 -0.34 0.00 0.00 178.44 177.11 3lui h HIS 44 N -0.40 0.69 -0.57 1.25 2.76 -0.34 -0.38 115.15 118.16 3lui h HIS 44 Ca 0.06 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 3lui h HIS 44 Cb 0.48 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 3lui h HIS 44 CO -0.29 0.24 0.07 0.93 -1.30 0.00 0.00 177.93 177.59 3lui h GLU 45 N 0.63 0.92 -0.25 5.26 5.08 -0.83 0.27 114.58 125.66 3lui h GLU 45 Ca 0.38 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.50 3lui h GLU 45 Cb 0.42 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3lui h GLU 45 CO -0.29 0.86 0.13 1.96 -1.00 0.00 0.00 179.01 180.68 3lui h GLN 46 N 0.87 0.35 -0.63 2.33 4.20 -0.43 -1.65 115.11 120.14 3lui h GLN 46 Ca 0.18 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.84 3lui h GLN 46 Cb 0.41 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3lui h GLN 46 CO 0.01 0.33 0.39 -0.07 -0.67 0.00 0.00 178.83 178.82 3lui h LEU 47 N 0.28 0.75 -0.61 1.46 3.38 -0.60 -2.04 115.31 117.94 3lui h LEU 47 Ca 0.09 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.07 3lui h LEU 47 Cb 0.08 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3lui h LEU 47 CO -0.01 0.58 0.31 0.03 0.09 0.00 0.00 178.44 179.44 3lui h ARG 48 N 0.86 0.56 -0.70 1.13 3.08 -0.33 0.23 114.38 119.21 3lui h ARG 48 Ca 0.23 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.23 3lui h ARG 48 Cb -0.04 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3lui h ARG 48 CO -0.04 0.37 0.39 -0.22 -1.07 0.00 0.00 179.97 179.40 3lui h LYS 49 N 0.58 0.97 0.13 0.04 3.64 -0.80 0.17 116.57 121.29 3lui h LYS 49 Ca 0.28 -0.11 -0.28 0.00 -1.27 0.00 0.00 60.65 59.28 3lui h LYS 49 Cb 0.21 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3lui h LYS 49 CO -0.20 0.71 -1.24 1.49 -2.27 0.00 0.00 179.45 177.95 3lui h GLU 50 N 0.96 0.31 0.00 1.90 4.57 -1.02 -3.41 114.58 117.89 3lui h GLU 50 Ca 0.25 -0.51 0.00 0.00 -1.18 0.00 0.00 59.36 57.92 3lui h GLU 50 Cb 0.02 0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 3lui h GLU 50 CO -0.04 1.23 -0.64 0.66 -1.18 0.00 0.00 179.01 179.04 3lui n TYR 51 N -3.57 0.00 0.00 0.92 4.01 0.77 -5.10 117.16 114.18 3lui n TYR 51 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 3lui n TYR 51 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 40.04 3lui n TYR 51 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3lui n GLY 52 N 1.96 -1.38 0.28 2.72 0.00 0.58 -4.67 105.19 104.68 3lui n GLY 52 Ca 0.00 -1.20 0.04 0.00 0.00 0.00 0.00 46.02 44.86 3lui n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lui h ALA 53 N 0.00 1.67 0.00 4.61 0.00 -1.89 -2.61 119.26 121.04 3lui h ALA 53 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3lui h ALA 53 Cb 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3lui h ALA 53 CO 0.00 0.27 0.00 0.27 0.00 0.00 0.00 179.25 179.79 3lui n ASN 54 N -4.42 0.00 -0.42 0.00 0.23 -1.26 -1.42 115.26 107.98 3lui n ASN 54 Ca 0.01 -0.97 0.06 0.00 -0.53 0.00 0.00 54.58 53.15 3lui n ASN 54 Cb 0.13 0.00 0.13 0.00 -2.08 0.00 0.00 39.78 37.97 3lui n ASN 54 CO 0.00 0.00 0.00 1.33 -0.93 0.00 0.00 177.26 177.66 3lui n VAL 55 N -0.90 1.45 -4.15 3.53 0.24 -0.98 -5.02 118.33 112.50 3lui n VAL 55 Ca 0.16 -1.43 -0.28 0.00 -2.04 0.00 0.00 64.34 60.74 3lui n VAL 55 Cb 0.07 0.19 -0.07 0.00 -1.47 0.00 0.00 33.84 32.56 3lui n VAL 55 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3lui s LEU 56 N -1.76 3.48 0.95 1.34 1.43 -0.51 -5.04 118.68 118.58 3lui s LEU 56 Ca 0.23 -0.25 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 3lui s LEU 56 Cb 0.17 -2.16 0.16 0.00 0.03 0.00 0.00 46.19 44.39 3lui s LEU 56 CO 0.08 0.12 1.11 -2.84 0.23 0.00 0.00 176.35 175.04 3lui s PRO 57 N -2.70 0.79 0.06 1.29 0.02 -1.26 -4.91 135.00 128.29 3lui s PRO 57 Ca 0.27 1.25 -0.31 0.00 0.02 0.00 0.00 61.00 62.24 3lui s PRO 57 Cb -0.10 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.62 3lui s PRO 57 CO 0.19 -2.69 1.42 0.00 -0.33 0.00 0.00 177.00 175.60 3lui s ALA 58 N -2.68 3.59 -0.07 -1.55 0.00 -1.26 -5.01 121.76 114.78 3lui s ALA 58 Ca 0.66 1.03 -0.12 0.00 0.00 0.00 0.00 51.96 53.52 3lui s ALA 58 Cb -0.22 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.28 3lui s ALA 58 CO 0.59 -0.78 0.31 0.12 0.00 0.00 0.00 175.76 175.99 3lui s PHE 59 N 1.79 3.63 0.54 0.00 5.36 -1.26 -4.76 117.98 123.28 3lui s PHE 59 Ca 0.65 0.77 -0.22 0.00 -0.96 0.00 0.00 56.93 57.18 3lui s PHE 59 Cb -0.35 -2.20 -0.05 0.00 -0.34 0.00 0.00 43.02 40.08 3lui s PHE 59 CO 0.29 0.58 1.33 -2.14 -1.46 0.00 0.00 175.22 173.82 3lui s PRO 60 N -0.70 3.19 0.61 10.12 0.02 -1.26 -4.97 135.00 142.01 3lui s PRO 60 Ca 0.20 2.17 -0.13 0.00 0.02 0.00 0.00 61.00 63.27 3lui s PRO 60 Cb -0.14 -2.26 -0.04 0.00 0.02 0.00 0.00 34.50 32.08 3lui s PRO 60 CO 0.09 -1.13 1.03 -1.25 -0.33 0.00 0.00 177.00 175.40 3lui s PRO 61 N -2.91 3.49 0.59 5.54 0.04 -1.26 -5.04 135.00 135.46 3lui s PRO 61 Ca 0.71 0.88 -0.18 0.00 0.04 0.00 0.00 61.00 62.45 3lui s PRO 61 Cb -0.39 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3lui s PRO 61 CO 0.46 -0.65 1.14 0.15 0.04 0.00 0.00 177.00 178.14 3lui s LYS 62 N -4.82 3.09 0.23 4.56 1.02 -1.26 -5.06 119.74 117.49 3lui s LYS 62 Ca 0.57 1.60 0.10 0.00 0.02 0.00 0.00 55.97 58.26 3lui s LYS 62 Cb -0.12 -1.97 -0.04 0.00 -0.52 0.00 0.00 37.83 35.18 3lui s LYS 62 CO 0.48 -1.06 -0.13 0.15 -0.92 0.00 0.00 175.35 173.87 3lui s LYS 63 N -3.53 1.92 0.00 1.68 -0.14 -1.26 -5.04 119.74 113.37 3lui s LYS 63 Ca 0.72 -1.49 0.15 0.00 -1.36 0.00 0.00 55.97 53.99 3lui s LYS 63 Cb -0.24 -2.00 0.13 0.00 -1.68 0.00 0.00 37.83 34.04 3lui s LYS 63 CO 0.33 0.38 1.00 1.28 -0.76 0.00 0.00 175.35 177.57 3lui n LEU 64 N -0.34 2.30 -4.17 3.17 4.77 -1.26 -4.94 117.00 116.54 3lui n LEU 64 Ca -0.08 -1.05 -0.13 0.00 -0.03 0.00 0.00 56.01 54.71 3lui n LEU 64 Cb 0.58 -0.02 -0.11 0.00 -2.33 0.00 0.00 43.42 41.54 3lui n LEU 64 CO 0.36 0.43 -0.40 -0.36 -1.33 0.00 0.00 177.39 176.09 3lui s PHE 65 N -1.24 0.98 0.26 -1.77 0.08 -1.26 -5.13 117.98 109.91 3lui s PHE 65 Ca 0.18 -0.73 -0.30 0.00 0.12 0.00 0.00 56.93 56.21 3lui s PHE 65 Cb 0.13 -0.54 -0.14 0.00 -0.57 0.00 0.00 43.02 41.90 3lui s PHE 65 CO 0.19 -0.05 1.26 0.43 -0.10 0.00 0.00 175.22 176.95 3lui n SER 66 N 0.42 2.24 -4.72 1.36 7.64 -1.26 -4.91 113.62 114.38 3lui n SER 66 Ca -0.15 1.17 -0.41 0.00 1.01 0.00 0.00 58.87 60.48 3lui n SER 66 Cb 0.59 -1.38 -0.03 0.00 -1.01 0.00 0.00 64.21 62.37 3lui n SER 66 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3lui s LEU 67 N -0.01 4.43 0.78 -3.43 1.02 -1.26 -5.04 118.68 115.17 3lui s LEU 67 Ca 0.64 2.00 -0.11 0.00 0.02 0.00 0.00 54.13 56.67 3lui s LEU 67 Cb -0.67 -3.59 0.06 0.00 0.02 0.00 0.00 46.19 42.01 3lui s LEU 67 CO 0.55 -0.31 1.08 0.42 0.02 0.00 0.00 176.35 178.11 3lui s THR 68 N 0.41 3.31 0.27 5.49 -4.23 -1.26 -4.75 115.64 114.87 3lui s THR 68 Ca 0.53 0.42 0.00 0.00 -1.18 0.00 0.00 61.69 61.47 3lui s THR 68 Cb -0.28 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 70.73 3lui s THR 68 CO 0.32 -0.55 1.72 -0.65 -0.54 0.00 0.00 174.62 174.91 3lui h PRO 69 N -1.07 0.45 -0.44 3.99 0.11 -1.99 0.14 132.00 133.20 3lui h PRO 69 Ca -0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 3lui h PRO 69 Cb 1.25 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3lui h PRO 69 CO 0.57 0.30 -0.04 0.00 -0.21 0.00 0.00 178.00 178.61 3lui h ALA 70 N 1.63 1.11 -0.43 -0.75 0.00 -1.99 -1.31 119.26 117.52 3lui h ALA 70 Ca 0.50 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 3lui h ALA 70 Cb 0.85 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 3lui h ALA 70 CO -0.46 0.56 -0.20 0.93 0.00 0.00 0.00 179.25 180.08 3lui h GLU 71 N 0.68 0.86 -0.54 0.00 5.08 -1.27 -0.93 114.58 118.46 3lui h GLU 71 Ca 0.13 -0.34 -0.04 0.00 -1.00 0.00 0.00 59.36 58.11 3lui h GLU 71 Cb 0.48 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 3lui h GLU 71 CO 0.02 0.98 0.19 0.28 -1.00 0.00 0.00 179.01 179.49 3lui h VAL 72 N 0.75 1.23 -0.66 3.13 2.07 -0.56 0.04 116.25 122.24 3lui h VAL 72 Ca 0.10 -0.74 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3lui h VAL 72 Cb 0.73 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.17 3lui h VAL 72 CO 0.06 0.28 0.20 -0.08 0.02 0.00 0.00 177.57 178.04 3lui h GLU 73 N 0.74 1.03 -0.36 1.57 4.57 -1.05 0.24 114.58 121.33 3lui h GLU 73 Ca 0.18 -0.23 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3lui h GLU 73 Cb 0.24 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 3lui h GLU 73 CO -0.01 0.90 0.20 0.37 -1.18 0.00 0.00 179.01 179.29 3lui h GLN 74 N 0.96 0.50 -0.63 1.92 5.75 -1.00 -1.62 115.11 120.99 3lui h GLN 74 Ca 0.21 -0.06 -0.09 0.00 -0.15 0.00 0.00 58.65 58.56 3lui h GLN 74 Cb 0.31 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 28.74 3lui h GLN 74 CO -0.01 0.41 0.05 -0.09 -2.65 0.00 0.00 178.83 176.55 3lui h ARG 75 N 0.46 1.08 -0.48 1.69 2.43 -0.65 -1.94 114.38 116.97 3lui h ARG 75 Ca 0.13 -0.32 0.06 0.00 -0.81 0.00 0.00 59.98 59.03 3lui h ARG 75 Cb 0.06 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 3lui h ARG 75 CO -0.02 1.03 0.19 -0.09 -1.51 0.00 0.00 179.97 179.57 3lui h ARG 76 N 0.99 0.37 -0.46 0.20 2.43 -0.41 -0.35 114.38 117.15 3lui h ARG 76 Ca 0.19 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.35 3lui h ARG 76 Cb 0.51 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.94 3lui h ARG 76 CO 0.02 0.25 0.29 0.93 -1.51 0.00 0.00 179.97 179.95 3lui h GLU 77 N 0.38 0.56 -0.45 0.20 5.08 -0.97 -0.96 114.58 118.42 3lui h GLU 77 Ca 0.22 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.45 3lui h GLU 77 Cb 0.20 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3lui h GLU 77 CO -0.21 0.37 -0.12 1.96 -1.00 0.00 0.00 179.01 180.02 3lui h GLN 78 N 0.58 0.87 -0.70 2.33 4.20 -1.04 -1.81 115.11 119.54 3lui h GLN 78 Ca 0.18 -0.34 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 3lui h GLN 78 Cb -0.02 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 3lui h GLN 78 CO -0.06 0.98 0.25 -0.07 -0.67 0.00 0.00 178.83 179.25 3lui h LEU 79 N 0.70 0.97 -0.31 1.46 3.38 -0.96 -0.75 115.31 119.80 3lui h LEU 79 Ca 0.11 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 3lui h LEU 79 Cb 0.66 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3lui h LEU 79 CO 0.05 0.88 0.13 -0.08 0.09 0.00 0.00 178.44 179.51 3lui h GLU 80 N 1.02 0.47 -0.67 1.13 4.81 -0.98 -1.10 114.58 119.25 3lui h GLU 80 Ca 0.23 -0.08 -0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3lui h GLU 80 Cb 0.24 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.51 3lui h GLU 80 CO -0.02 0.47 0.21 0.87 -0.73 0.00 0.00 179.01 179.81 3lui h LYS 81 N 0.36 1.04 0.14 1.92 1.57 -1.13 -1.45 116.57 119.02 3lui h LYS 81 Ca 0.11 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 3lui h LYS 81 Cb 0.18 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3lui h LYS 81 CO -0.01 0.89 -0.07 -0.92 -0.57 0.00 0.00 179.45 178.77 3lui h TYR 82 N 1.00 -0.18 -0.74 -1.35 3.20 -0.90 -0.54 116.97 117.46 3lui h TYR 82 Ca 0.22 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.05 3lui h TYR 82 Cb 0.29 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 3lui h TYR 82 CO 0.02 -0.02 0.31 0.52 -1.64 0.00 0.00 178.16 177.34 3lui h MET 83 N -0.30 1.08 -0.36 1.82 2.86 -1.04 -0.22 114.93 118.77 3lui h MET 83 Ca -0.02 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 3lui h MET 83 Cb 0.23 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3lui h MET 83 CO 0.03 0.87 0.06 1.96 1.06 0.00 0.00 176.91 180.89 3lui h GLN 84 N 1.06 0.60 -0.77 1.72 4.20 -1.15 -1.05 115.11 119.72 3lui h GLN 84 Ca 0.25 -0.16 -0.05 0.00 0.06 0.00 0.00 58.65 58.75 3lui h GLN 84 Cb 0.18 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 3lui h GLN 84 CO -0.02 0.67 0.30 0.00 -0.67 0.00 0.00 178.83 179.11 3lui h ALA 85 N 0.91 1.08 -0.21 3.87 0.00 -0.81 -0.83 119.26 123.27 3lui h ALA 85 Ca 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 3lui h ALA 85 Cb 0.35 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3lui h ALA 85 CO 0.01 0.65 -0.02 0.28 0.00 0.00 0.00 179.25 180.17 3lui h VAL 86 N 1.12 1.27 -0.78 0.00 2.07 -0.86 -2.46 116.25 116.61 3lui h VAL 86 Ca 0.26 -0.94 0.06 0.00 0.82 0.00 0.00 66.70 66.91 3lui h VAL 86 Cb 0.22 1.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3lui h VAL 86 CO -0.02 0.29 0.47 -0.09 0.02 0.00 0.00 177.57 178.23 3lui h ARG 87 N 0.14 0.82 0.00 1.57 9.65 -1.05 -1.84 114.38 123.67 3lui h ARG 87 Ca 0.06 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3lui h ARG 87 Cb 0.43 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.83 3lui h ARG 87 CO 0.01 0.55 0.00 1.96 2.80 0.00 0.00 179.97 185.29 3lui h GLN 88 N 0.85 0.00 -6.15 0.20 4.20 -1.05 -3.38 115.11 109.77 3lui h GLN 88 Ca 0.35 0.00 -0.57 0.00 0.06 0.00 0.00 58.65 58.49 3lui h GLN 88 Cb 0.19 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.92 3lui h GLN 88 CO -0.18 0.00 0.90 0.34 -0.67 0.00 0.00 178.83 179.22 3lui s ASP 89 N -5.05 6.94 0.47 1.46 -1.08 -0.92 -4.91 116.67 113.59 3lui s ASP 89 Ca 0.05 1.63 0.16 0.00 -0.52 0.00 0.00 52.55 53.87 3lui s ASP 89 Cb 0.09 -2.54 1.15 0.00 -1.46 0.00 0.00 42.92 40.16 3lui s ASP 89 CO 0.53 -0.78 2.03 -0.65 0.52 0.00 0.00 175.17 176.82 3lui h PRO 90 N 8.22 0.23 0.08 4.34 0.11 -1.86 0.50 132.00 143.63 3lui h PRO 90 Ca -0.26 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 3lui h PRO 90 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3lui h PRO 90 CO 0.98 0.16 -0.04 1.25 -0.21 0.00 0.00 178.00 180.13 3lui h LEU 91 N 0.24 -0.09 -0.27 2.35 5.85 -1.91 -3.30 115.31 118.17 3lui h LEU 91 Ca 0.20 -0.32 -0.16 0.00 0.84 0.00 0.00 57.88 58.44 3lui h LEU 91 Cb 0.47 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 3lui h LEU 91 CO -0.04 0.53 -0.45 -0.07 -0.34 0.00 0.00 178.44 178.08 3lui h LEU 92 N -0.98 0.86 -1.70 2.25 3.38 -1.74 -3.06 115.31 114.32 3lui h LEU 92 Ca -0.01 -0.52 -0.03 0.00 0.09 0.00 0.00 57.88 57.41 3lui h LEU 92 Cb 0.41 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3lui h LEU 92 CO 0.02 1.22 -0.13 1.23 0.09 0.00 0.00 178.44 180.87 3lui h GLY 93 N 0.53 0.00 -1.96 0.83 0.00 0.82 -1.72 103.07 101.58 3lui h GLY 93 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3lui h GLY 93 CO 0.10 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.50 3lui n SER 94 N -3.47 3.05 -4.77 0.19 3.41 -1.22 -4.78 113.62 106.03 3lui n SER 94 Ca -0.01 -1.98 -0.36 0.00 -0.26 0.00 0.00 58.87 56.26 3lui n SER 94 Cb 0.29 -0.05 0.01 0.00 -0.26 0.00 0.00 64.21 64.20 3lui n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3lui s SER 95 N -1.86 5.65 0.25 4.04 1.04 -0.65 -4.89 113.70 117.29 3lui s SER 95 Ca 0.29 2.29 -0.04 0.00 0.48 0.00 0.00 55.95 58.98 3lui s SER 95 Cb 0.20 -2.59 0.40 0.00 0.10 0.00 0.00 66.02 64.13 3lui s SER 95 CO 0.30 -1.27 1.83 -0.08 0.98 0.00 0.00 173.24 174.99 3lui h GLU 96 N 1.32 0.86 0.09 4.02 4.22 -1.92 -1.35 114.58 121.83 3lui h GLU 96 Ca -0.50 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 58.89 3lui h GLU 96 Cb 1.27 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 3lui h GLU 96 CO 0.57 0.57 -0.10 1.15 -2.18 0.00 0.00 179.01 179.02 3lui h THR 97 N 0.89 0.77 -0.17 0.32 2.02 -1.92 0.79 112.91 115.61 3lui h THR 97 Ca 0.41 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.56 3lui h THR 97 Cb 0.32 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.49 3lui h THR 97 CO -0.22 0.00 0.01 0.15 0.37 0.00 0.00 175.52 175.82 3lui h PHE 98 N -0.22 0.32 -0.19 3.16 3.57 -1.77 -2.36 116.94 119.45 3lui h PHE 98 Ca 0.01 -0.05 -0.14 0.00 3.53 0.00 0.00 57.97 61.31 3lui h PHE 98 Cb 0.21 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 3lui h PHE 98 CO -0.12 0.50 -0.46 -0.91 -2.23 0.00 0.00 178.31 175.08 3lui h ASN 99 N 0.05 0.54 -0.52 0.41 2.35 -1.14 -1.85 115.58 115.42 3lui h ASN 99 Ca 0.05 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 3lui h ASN 99 Cb 0.36 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3lui h ASN 99 CO 0.01 0.92 0.25 0.28 -1.65 0.00 0.00 177.43 177.24 3lui h SER 100 N 0.40 0.68 -0.21 5.81 0.02 -0.87 -1.36 113.55 118.01 3lui h SER 100 Ca 0.02 -0.13 0.01 0.00 -0.84 0.00 0.00 61.79 60.85 3lui h SER 100 Cb 0.97 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3lui h SER 100 CO 0.09 0.62 0.13 0.15 -1.14 0.00 0.00 176.83 176.67 3lui h PHE 101 N 0.69 0.24 -0.54 3.45 3.57 -1.20 -1.46 116.94 121.69 3lui h PHE 101 Ca 0.18 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3lui h PHE 101 Cb 0.12 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 3lui h PHE 101 CO -0.01 0.14 0.32 -0.07 -2.23 0.00 0.00 178.31 176.47 3lui h LEU 102 N 0.26 0.66 -0.65 0.59 3.38 -1.22 -0.45 115.31 117.88 3lui h LEU 102 Ca 0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3lui h LEU 102 Cb -0.01 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3lui h LEU 102 CO -0.03 0.54 0.41 -0.09 0.09 0.00 0.00 178.44 179.35 3lui h ARG 103 N 0.73 0.87 -0.13 1.13 2.43 -1.08 -1.67 114.38 116.66 3lui h ARG 103 Ca 0.19 -0.07 -0.17 0.00 -0.81 0.00 0.00 59.98 59.13 3lui h ARG 103 Cb 0.01 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.36 3lui h ARG 103 CO -0.03 0.61 -0.62 -0.09 -1.51 0.00 0.00 179.97 178.32 3lui h ARG 104 N 0.88 0.47 -0.47 0.20 9.65 -1.06 -2.65 114.38 121.40 3lui h ARG 104 Ca 0.23 -0.33 -0.08 0.00 -1.10 0.00 0.00 59.98 58.70 3lui h ARG 104 Cb -0.05 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 3lui h ARG 104 CO -0.05 0.94 -0.02 0.00 2.80 0.00 0.00 179.97 183.64 3lui h ALA 105 N 0.98 0.64 -0.75 2.80 0.00 -0.86 -0.78 119.26 121.29 3lui h ALA 105 Ca -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3lui h ALA 105 Cb 1.17 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.75 3lui h ALA 105 CO 0.11 0.46 0.45 0.37 0.00 0.00 0.00 179.25 180.64 3lui h GLN 106 N 0.70 1.03 -0.51 0.00 4.15 -1.27 -1.15 115.11 118.05 3lui h GLN 106 Ca 0.13 -0.10 -0.01 0.00 0.77 0.00 0.00 58.65 59.44 3lui h GLN 106 Cb 0.54 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.99 3lui h GLN 106 CO 0.03 0.73 0.28 1.96 -1.93 0.00 0.00 178.83 179.90 3lui h GLN 107 N 1.03 0.72 -0.64 1.69 1.08 -1.14 -1.96 115.11 115.89 3lui h GLN 107 Ca 0.27 -0.09 -0.03 0.00 -1.45 0.00 0.00 58.65 57.35 3lui h GLN 107 Cb -0.02 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.24 3lui h GLN 107 CO -0.05 0.57 0.29 1.49 -0.95 0.00 0.00 178.83 180.18 3lui h GLU 108 N 0.68 0.94 0.00 1.46 4.81 -0.79 0.34 114.58 122.02 3lui h GLU 108 Ca 0.18 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3lui h GLU 108 Cb 0.06 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.28 3lui h GLU 108 CO -0.03 0.77 -0.16 1.15 -0.73 0.00 0.00 179.01 180.01 3lui h THR 109 N 0.89 0.90 0.00 0.32 2.02 -1.00 -2.92 112.91 113.13 3lui h THR 109 Ca 0.22 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.81 3lui h THR 109 Cb 0.15 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 3lui h THR 109 CO -0.02 0.16 -1.53 0.00 0.37 0.00 0.00 175.52 174.49 3lui n GLN 110 N -4.04 0.63 0.00 6.66 6.02 -0.76 -5.00 117.38 120.89 3lui n GLN 110 Ca -0.02 -0.05 0.15 0.00 -0.01 0.00 0.00 57.00 57.07 3lui n GLN 110 Cb 0.24 -1.66 0.77 0.00 1.02 0.00 0.00 30.24 30.61 3lui n GLN 110 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09