#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lui s ASN 5 N 0.00 -1.34 0.00 6.41 0.01 -1.26 -4.99 114.94 113.77 1lui s ASN 5 Ca 0.00 -0.91 0.01 0.00 -0.71 0.00 0.00 52.86 51.26 1lui s ASN 5 Cb 0.00 1.86 0.09 0.00 0.41 0.00 0.00 41.25 43.61 1lui s ASN 5 CO 0.00 -0.17 0.35 0.00 -1.51 0.00 0.00 177.10 175.77 1lui n LEU 6 N 4.31 0.00 -1.92 0.60 -0.00 -1.26 -4.14 117.00 114.59 1lui n LEU 6 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.13 1lui n LEU 6 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1lui n LEU 6 CO 0.01 0.00 0.12 -1.84 -0.00 0.00 0.00 177.39 175.68 1lui n GLU 7 N -0.61 0.12 0.00 1.47 0.28 -1.26 -0.97 120.64 119.67 1lui n GLU 7 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1lui n GLU 7 Cb 0.01 -1.44 0.00 0.00 1.43 0.00 0.00 31.44 31.44 1lui n GLU 7 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1lui n THR 8 N 1.92 0.00 -3.20 3.84 5.66 -1.26 -5.05 114.28 116.19 1lui n THR 8 Ca 0.00 0.00 -0.39 0.00 -3.05 0.00 0.00 64.05 60.61 1lui n THR 8 Cb 0.06 0.82 -0.05 0.00 -1.55 0.00 0.00 70.33 69.60 1lui n THR 8 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1lui s TYR 9 N 0.00 3.55 0.63 1.09 2.02 -0.14 -4.91 117.35 119.59 1lui s TYR 9 Ca 0.00 1.05 0.19 0.00 -0.37 0.00 0.00 57.07 57.94 1lui s TYR 9 Cb 0.00 -2.65 0.72 0.00 -0.40 0.00 0.00 41.96 39.63 1lui s TYR 9 CO 0.00 0.15 1.29 1.49 -1.57 0.00 0.00 175.55 176.91 1lui h GLU 10 N 6.66 0.00 0.02 -0.62 4.81 -1.88 0.74 114.58 124.31 1lui h GLU 10 Ca -0.41 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.45 1lui h GLU 10 Cb 1.19 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.51 1lui h GLU 10 CO 0.75 0.00 -2.26 -2.67 -0.73 0.00 0.00 179.01 174.10 1lui n TRP 11 N -3.04 0.34 -1.85 0.92 4.27 -1.19 0.06 117.44 116.95 1lui n TRP 11 Ca 0.14 0.10 -0.40 0.00 -3.89 0.00 0.00 57.50 53.44 1lui n TRP 11 Cb 1.24 -1.05 0.00 0.00 -1.36 0.00 0.00 31.31 30.14 1lui n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1lui s TYR 12 N -2.53 2.59 -0.31 -2.67 5.04 0.26 0.30 117.35 120.03 1lui s TYR 12 Ca -0.19 1.25 -0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1lui s TYR 12 Cb 0.07 -3.92 0.14 0.00 0.35 0.00 0.00 41.96 38.60 1lui s TYR 12 CO 0.74 -2.79 0.28 -0.80 -1.34 0.00 0.00 175.55 171.65 1lui s ASN 13 N -0.38 1.93 0.87 4.32 0.01 2.03 -4.64 114.94 119.07 1lui s ASN 13 Ca 0.56 -1.14 -0.11 0.00 -0.71 0.00 0.00 52.86 51.46 1lui s ASN 13 Cb -0.44 0.32 0.12 0.00 0.41 0.00 0.00 41.25 41.66 1lui s ASN 13 CO 0.58 -0.36 1.15 -0.54 -1.51 0.00 0.00 177.10 176.42 1lui s LYS 14 N 2.00 1.37 0.00 -0.60 1.02 -1.26 -2.34 119.74 119.94 1lui s LYS 14 Ca 0.12 1.51 0.00 0.00 0.02 0.00 0.00 55.97 57.62 1lui s LYS 14 Cb -0.15 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.39 1lui s LYS 14 CO -0.24 -2.36 0.00 0.45 -0.92 0.00 0.00 175.35 172.28 1lui n SER 15 N -3.92 0.00 -4.69 2.83 2.88 -1.26 -4.86 113.62 104.59 1lui n SER 15 Ca 0.12 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.34 1lui n SER 15 Cb 0.52 -1.07 0.14 0.00 -0.75 0.00 0.00 64.21 63.05 1lui n SER 15 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1lui s ILE 16 N -0.61 2.23 0.05 2.46 1.01 -0.99 -5.06 121.20 120.30 1lui s ILE 16 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.74 1lui s ILE 16 Cb 0.00 -2.29 -0.00 0.00 0.01 0.00 0.00 42.46 40.18 1lui s ILE 16 CO 0.00 -0.09 0.01 -1.20 0.00 0.00 0.00 174.94 173.66 1lui n SER 17 N -3.80 1.56 0.01 3.58 7.64 -1.26 -4.78 113.62 116.56 1lui n SER 17 Ca 0.12 -1.24 -0.18 0.00 1.01 0.00 0.00 58.87 58.58 1lui n SER 17 Cb 0.52 0.08 -0.07 0.00 -1.01 0.00 0.00 64.21 63.72 1lui n SER 17 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1lui h ARG 18 N 0.00 0.73 -0.17 1.43 0.11 -2.00 -2.60 114.38 111.88 1lui h ARG 18 Ca -0.04 -0.66 -0.22 0.00 0.10 0.00 0.00 59.98 59.16 1lui h ARG 18 Cb 0.14 0.16 0.01 0.00 1.11 0.00 0.00 29.97 31.38 1lui h ARG 18 CO 0.07 1.26 -0.75 -0.44 0.10 0.00 0.00 179.97 180.21 1lui h ASP 19 N 0.47 0.95 0.10 0.08 3.32 -1.99 -2.97 116.42 116.38 1lui h ASP 19 Ca -0.08 -0.62 -0.00 0.00 0.02 0.00 0.00 57.03 56.35 1lui h ASP 19 Cb 1.51 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.78 1lui h ASP 19 CO 0.17 1.41 -0.05 0.50 -1.72 0.00 0.00 179.24 179.56 1lui h LYS 20 N 0.55 -0.13 -0.29 3.56 3.11 -1.97 0.11 116.57 121.51 1lui h LYS 20 Ca -0.05 0.01 0.06 0.00 -2.81 0.00 0.00 60.65 57.86 1lui h LYS 20 Cb 1.37 0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.58 1lui h LYS 20 CO 0.16 0.14 -0.07 0.00 -2.81 0.00 0.00 179.45 176.86 1lui h ALA 21 N 0.49 0.19 -0.78 5.00 0.00 -1.56 0.87 119.26 123.47 1lui h ALA 21 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1lui h ALA 21 Cb 0.32 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.28 1lui h ALA 21 CO 0.02 -0.46 0.47 0.93 0.00 0.00 0.00 179.25 180.21 1lui h GLU 22 N -0.00 0.84 -0.05 0.00 5.08 -1.49 3.09 114.58 122.06 1lui h GLU 22 Ca 0.14 -0.05 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1lui h GLU 22 Cb 0.21 -0.19 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1lui h GLU 22 CO -0.30 0.56 -0.15 1.57 -1.00 0.00 0.00 179.01 179.68 1lui h LYS 23 N 0.87 -0.22 0.00 2.33 2.10 0.13 1.20 116.57 122.98 1lui h LYS 23 Ca 0.34 0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.90 1lui h LYS 23 Cb 0.16 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.53 1lui h LYS 23 CO -0.17 -0.15 -0.51 1.37 -2.00 0.00 0.00 179.45 177.99 1lui h LEU 24 N -0.23 0.00 -0.38 7.07 -0.00 0.18 -2.88 115.31 119.09 1lui h LEU 24 Ca 0.07 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.89 1lui h LEU 24 Cb 0.32 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1lui h LEU 24 CO -0.18 0.51 0.02 -0.07 -0.00 0.00 0.00 178.44 178.72 1lui h LEU 25 N 0.00 0.63 -1.12 0.17 -0.00 0.70 -2.33 115.31 113.36 1lui h LEU 25 Ca -0.01 -0.29 0.05 0.00 -0.00 0.00 0.00 57.88 57.63 1lui h LEU 25 Cb 0.97 -0.17 -0.06 0.00 -0.00 0.00 0.00 40.66 41.40 1lui h LEU 25 CO 0.07 0.77 0.60 0.25 -0.00 0.00 0.00 178.44 180.12 1lui h LEU 26 N 0.47 0.96 -0.70 1.67 5.85 0.16 -1.81 115.31 121.92 1lui h LEU 26 Ca 0.11 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 1lui h LEU 26 Cb 0.43 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1lui h LEU 26 CO 0.01 0.64 0.24 -0.78 -0.34 0.00 0.00 178.44 178.22 1lui h ASP 27 N 1.11 1.00 0.38 1.25 3.58 -1.28 -3.11 116.42 119.35 1lui h ASP 27 Ca 0.38 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 1lui h ASP 27 Cb 0.10 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 40.88 1lui h ASP 27 CO -0.13 0.92 -0.22 0.71 -2.88 0.00 0.00 179.24 177.65 1lui h THR 28 N 1.02 0.55 -4.34 2.25 1.35 -0.80 -3.48 112.91 109.45 1lui h THR 28 Ca 0.23 0.00 -0.13 0.00 -0.55 0.00 0.00 66.41 65.95 1lui h THR 28 Cb 0.27 0.55 0.11 0.00 -1.73 0.00 0.00 68.15 67.34 1lui h THR 28 CO -0.01 0.00 -0.46 0.61 -0.25 0.00 0.00 175.52 175.41 1lui n GLY 29 N -1.35 -0.23 3.26 5.82 0.00 -0.95 -5.06 105.19 106.68 1lui n GLY 29 Ca -0.10 0.19 -0.19 0.00 0.00 0.00 0.00 46.02 45.92 1lui n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lui s LYS 30 N -3.74 1.07 -0.52 1.61 3.01 -1.26 -4.98 119.74 114.92 1lui s LYS 30 Ca 0.25 -1.27 -0.26 0.00 -1.01 0.00 0.00 55.97 53.67 1lui s LYS 30 Cb -0.03 -1.00 0.03 0.00 -1.01 0.00 0.00 37.83 35.82 1lui s LYS 30 CO 0.40 0.20 1.03 -2.00 0.51 0.00 0.00 175.35 175.49 1lui s GLU 31 N -2.67 3.50 0.00 1.68 -6.30 -1.26 -3.30 118.70 110.35 1lui s GLU 31 Ca 0.10 0.12 0.00 0.00 -2.50 0.00 0.00 54.97 52.70 1lui s GLU 31 Cb -0.05 -3.98 0.00 0.00 0.00 0.00 0.00 34.13 30.09 1lui s GLU 31 CO 0.04 -1.45 0.00 0.41 0.02 0.00 0.00 175.26 174.28 1lui n GLY 32 N 5.01 0.54 3.56 -1.50 0.00 -0.08 -4.42 105.19 108.30 1lui n GLY 32 Ca 0.06 -0.86 -0.47 0.00 0.00 0.00 0.00 46.02 44.76 1lui n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lui n ALA 33 N 0.07 -0.82 -2.35 4.61 0.00 1.28 -1.56 120.51 121.75 1lui n ALA 33 Ca 0.00 0.42 -0.30 0.00 0.00 0.00 0.00 53.44 53.57 1lui n ALA 33 Cb 0.11 -1.96 -0.16 0.00 0.00 0.00 0.00 19.45 17.44 1lui n ALA 33 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1lui s PHE 34 N -0.74 2.20 0.14 0.00 5.36 0.69 0.19 117.98 125.82 1lui s PHE 34 Ca 0.65 -0.41 -0.06 0.00 -0.96 0.00 0.00 56.93 56.14 1lui s PHE 34 Cb -0.79 -1.40 -0.02 0.00 -0.34 0.00 0.00 43.02 40.47 1lui s PHE 34 CO 0.57 -0.01 0.20 1.41 -1.46 0.00 0.00 175.22 175.93 1lui s MET 35 N -0.68 1.04 0.02 10.12 -2.45 2.37 0.77 119.30 130.48 1lui s MET 35 Ca 0.10 -1.22 -0.02 0.00 -1.25 0.00 0.00 55.69 53.29 1lui s MET 35 Cb -0.09 0.33 -0.01 0.00 1.25 0.00 0.00 34.83 36.30 1lui s MET 35 CO -0.00 -0.35 0.02 0.08 1.05 0.00 0.00 175.02 175.81 1lui s VAL 36 N -3.98 0.11 -0.14 10.11 1.01 0.88 0.55 120.40 128.94 1lui s VAL 36 Ca 0.17 -0.88 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 1lui s VAL 36 Cb 0.05 -0.36 0.06 0.00 0.00 0.00 0.00 36.38 36.13 1lui s VAL 36 CO -0.01 -0.48 0.33 0.00 0.00 0.00 0.00 175.10 174.94 1lui s ARG 37 N -1.54 0.30 0.59 2.72 1.70 0.97 0.52 118.95 124.21 1lui s ARG 37 Ca -0.15 0.69 -0.20 0.00 -0.47 0.00 0.00 55.73 55.60 1lui s ARG 37 Cb -0.09 -0.05 -0.03 0.00 -0.57 0.00 0.00 34.95 34.21 1lui s ARG 37 CO -0.01 -0.17 1.32 0.34 -1.08 0.00 0.00 175.30 175.70 1lui s ASP 38 N 1.45 4.98 -0.01 -2.89 -1.08 -1.26 0.41 116.67 118.27 1lui s ASP 38 Ca -0.09 2.68 0.02 0.00 -0.52 0.00 0.00 52.55 54.65 1lui s ASP 38 Cb -0.10 -2.63 -0.04 0.00 -1.46 0.00 0.00 42.92 38.70 1lui s ASP 38 CO -0.11 -1.76 0.05 -0.24 0.52 0.00 0.00 175.17 173.63 1lui n SER 39 N -1.43 4.43 0.00 -0.34 2.88 -1.21 -4.71 113.62 113.24 1lui n SER 39 Ca 0.13 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 1lui n SER 39 Cb 0.47 1.04 0.00 0.00 -0.75 0.00 0.00 64.21 64.97 1lui n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1lui n ARG 40 N -1.65 0.00 0.00 -1.46 5.12 -1.26 -4.99 116.66 112.42 1lui n ARG 40 Ca -0.01 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.91 1lui n ARG 40 Cb 0.13 -0.91 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 1lui n ARG 40 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1lui n THR 41 N -1.88 0.00 0.00 0.55 5.66 -1.26 -4.11 114.28 113.24 1lui n THR 41 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1lui n THR 41 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1lui n THR 41 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1lui n PRO 42 N 0.00 0.00 0.00 1.09 -0.02 -1.26 -4.23 135.00 130.58 1lui n PRO 42 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 1lui n PRO 42 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1lui n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lui n GLY 43 N -0.54 1.56 3.97 -1.23 0.00 -1.26 -4.98 105.19 102.70 1lui n GLY 43 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1lui n GLY 43 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1lui s THR 44 N -2.00 2.60 0.26 2.61 -1.32 -1.26 -4.96 115.64 111.57 1lui s THR 44 Ca 0.00 -0.61 0.11 0.00 -1.21 0.00 0.00 61.69 59.98 1lui s THR 44 Cb 0.00 -2.99 -0.05 0.00 -1.51 0.00 0.00 72.50 67.95 1lui s THR 44 CO 0.00 0.00 -0.19 -0.31 -2.21 0.00 0.00 174.62 171.91 1lui s TYR 45 N -2.83 2.18 0.07 9.09 1.51 -1.21 -3.30 117.35 122.85 1lui s TYR 45 Ca 0.58 -0.37 -0.00 0.00 -1.01 0.00 0.00 57.07 56.26 1lui s TYR 45 Cb -0.10 -0.96 -0.04 0.00 -0.11 0.00 0.00 41.96 40.75 1lui s TYR 45 CO 0.39 0.65 0.22 0.99 -1.11 0.00 0.00 175.55 176.70 1lui s THR 46 N -2.58 5.38 -0.20 -0.71 2.01 1.37 0.30 115.64 121.21 1lui s THR 46 Ca 0.28 -0.39 0.00 0.00 0.31 0.00 0.00 61.69 61.90 1lui s THR 46 Cb -0.04 -3.64 0.05 0.00 0.01 0.00 0.00 72.50 68.88 1lui s THR 46 CO 0.13 0.12 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.44 1lui s VAL 47 N -1.53 1.34 -0.42 3.82 1.01 2.07 0.32 120.40 127.02 1lui s VAL 47 Ca 0.35 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 61.21 1lui s VAL 47 Cb -0.13 -1.54 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1lui s VAL 47 CO 0.28 0.03 0.65 -0.44 0.00 0.00 0.00 175.10 175.63 1lui s SER 48 N 1.51 6.36 -0.10 3.32 0.01 2.17 0.44 113.70 127.40 1lui s SER 48 Ca -0.02 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.10 1lui s SER 48 Cb -0.17 -2.33 -0.00 0.00 0.21 0.00 0.00 66.02 63.73 1lui s SER 48 CO -0.07 -0.74 -0.23 0.68 0.41 0.00 0.00 173.24 173.29 1lui s VAL 49 N 2.83 2.14 -0.01 3.43 -7.23 0.91 0.58 120.40 123.04 1lui s VAL 49 Ca 0.24 -0.99 -0.03 0.00 -1.81 0.00 0.00 61.98 59.39 1lui s VAL 49 Cb -0.14 -1.82 -0.00 0.00 0.56 0.00 0.00 36.38 34.98 1lui s VAL 49 CO 0.18 0.56 0.06 0.72 -0.31 0.00 0.00 175.10 176.31 1lui s PHE 50 N 0.34 0.02 -0.27 2.82 -0.71 0.49 0.48 117.98 121.15 1lui s PHE 50 Ca -0.18 -0.03 -0.04 0.00 -1.04 0.00 0.00 56.93 55.63 1lui s PHE 50 Cb -0.18 -0.04 0.10 0.00 -1.21 0.00 0.00 43.02 41.69 1lui s PHE 50 CO 0.09 -0.12 0.13 0.99 -1.34 0.00 0.00 175.22 174.97 1lui s THR 51 N -0.59 -0.09 -0.36 -4.49 2.01 0.71 0.39 115.64 113.22 1lui s THR 51 Ca -0.07 -0.67 -0.24 0.00 0.31 0.00 0.00 61.69 61.02 1lui s THR 51 Cb -0.04 -0.93 -0.12 0.00 0.01 0.00 0.00 72.50 71.43 1lui s THR 51 CO 0.00 -0.66 1.33 2.29 -0.69 0.00 0.00 174.62 176.89 1lui n LYS 52 N 5.26 0.00 -2.70 4.92 -0.00 -1.21 -3.69 118.16 120.74 1lui n LYS 52 Ca -0.06 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.27 1lui n LYS 52 Cb 0.43 -0.88 0.01 0.00 -0.00 0.00 0.00 35.03 34.59 1lui n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1lui s ALA 53 N 3.93 -4.84 0.14 0.58 0.00 -1.26 -4.84 121.76 115.47 1lui s ALA 53 Ca 0.73 1.49 -0.24 0.00 0.00 0.00 0.00 51.96 53.94 1lui s ALA 53 Cb -0.85 -3.07 0.07 0.00 0.00 0.00 0.00 23.12 19.28 1lui s ALA 53 CO 0.36 -2.54 0.66 0.42 0.00 0.00 0.00 175.76 174.67 1lui s ILE 54 N 2.02 0.00 -0.23 0.00 1.09 -1.26 -4.58 121.20 118.25 1lui s ILE 54 Ca 0.15 -0.08 -0.18 0.00 -1.10 0.00 0.00 60.65 59.43 1lui s ILE 54 Cb 0.04 -1.08 -0.17 0.00 -1.06 0.00 0.00 42.46 40.18 1lui s ILE 54 CO -0.17 0.00 0.05 2.30 -0.10 0.00 0.00 174.94 177.03 1lui n ILE 55 N -0.37 1.55 -2.67 2.92 -5.35 -1.26 -4.52 119.36 109.66 1lui n ILE 55 Ca -0.15 -0.17 -0.05 0.00 -0.27 0.00 0.00 62.75 62.12 1lui n ILE 55 Cb 0.64 -1.97 0.04 0.00 -1.74 0.00 0.00 39.64 36.61 1lui n ILE 55 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1lui n SER 56 N -4.31 2.21 -0.54 7.28 2.88 -1.26 -4.80 113.62 115.07 1lui n SER 56 Ca -0.39 -2.36 -0.02 0.00 -1.33 0.00 0.00 58.87 54.77 1lui n SER 56 Cb 0.76 -0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 63.75 1lui n SER 56 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1lui n GLU 57 N -0.61 0.00 -2.39 -1.46 0.28 -1.26 -5.15 120.64 110.05 1lui n GLU 57 Ca 0.14 -0.28 -0.31 0.00 -0.16 0.00 0.00 57.16 56.55 1lui n GLU 57 Cb 0.84 0.32 -0.02 0.00 1.43 0.00 0.00 31.44 34.01 1lui n GLU 57 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1lui s ASN 58 N -0.28 6.52 0.00 -1.84 2.47 -1.26 -4.53 114.94 116.02 1lui s ASN 58 Ca 0.00 1.44 0.00 0.00 0.42 0.00 0.00 52.86 54.72 1lui s ASN 58 Cb 0.00 -2.46 0.00 0.00 -1.45 0.00 0.00 41.25 37.34 1lui s ASN 58 CO 0.00 -0.61 0.00 -2.65 -3.72 0.00 0.00 177.10 170.12 1lui n PRO 59 N -1.77 1.31 -3.89 0.43 -0.02 -1.26 -5.00 135.00 124.79 1lui n PRO 59 Ca 0.06 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.25 1lui n PRO 59 Cb 0.54 0.00 -0.16 0.00 -0.02 0.00 0.00 33.50 33.86 1lui n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lui s ILE 61 N 1.60 2.94 0.02 0.00 1.09 -1.26 0.25 121.20 125.84 1lui s ILE 61 Ca -0.01 -1.49 -0.01 0.00 -1.10 0.00 0.00 60.65 58.05 1lui s ILE 61 Cb -0.16 -2.36 -0.02 0.00 -1.06 0.00 0.00 42.46 38.86 1lui s ILE 61 CO -0.07 0.08 -0.01 -0.75 -0.10 0.00 0.00 174.94 174.08 1lui s LYS 62 N -2.21 0.31 -0.32 2.79 2.20 1.74 -4.87 119.74 119.38 1lui s LYS 62 Ca 0.19 -0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 55.20 1lui s LYS 62 Cb -0.10 0.11 0.06 0.00 -1.51 0.00 0.00 37.83 36.39 1lui s LYS 62 CO 0.11 -0.05 0.05 -1.01 -0.36 0.00 0.00 175.35 174.08 1lui s HIS 63 N -1.40 3.32 -0.25 4.03 3.76 -1.25 0.31 115.29 123.81 1lui s HIS 63 Ca -0.15 -1.90 -0.08 0.00 -0.15 0.00 0.00 55.06 52.78 1lui s HIS 63 Cb -0.09 -2.32 -0.03 0.00 1.11 0.00 0.00 32.58 31.25 1lui s HIS 63 CO -0.01 -0.82 0.08 0.71 -0.85 0.00 0.00 174.74 173.85 1lui s TYR 64 N 1.25 3.10 0.18 1.40 1.51 1.50 -4.80 117.35 121.49 1lui s TYR 64 Ca -0.02 -0.36 -0.17 0.00 -1.01 0.00 0.00 57.07 55.50 1lui s TYR 64 Cb -0.20 -2.25 -0.08 0.00 -0.11 0.00 0.00 41.96 39.33 1lui s TYR 64 CO -0.01 -0.33 0.64 -1.58 -1.11 0.00 0.00 175.55 173.16 1lui s HIS 65 N 1.60 3.64 -0.54 2.71 2.46 -1.26 0.53 115.29 124.43 1lui s HIS 65 Ca 0.06 1.24 -0.21 0.00 0.47 0.00 0.00 55.06 56.62 1lui s HIS 65 Cb -0.15 -2.50 0.06 0.00 -0.13 0.00 0.00 32.58 29.85 1lui s HIS 65 CO 0.04 0.39 0.75 0.42 -2.47 0.00 0.00 174.74 173.88 1lui s ILE 66 N -1.47 4.68 0.58 0.89 -1.09 0.88 -4.34 121.20 121.33 1lui s ILE 66 Ca 0.40 -0.28 -0.19 0.00 -2.23 0.00 0.00 60.65 58.35 1lui s ILE 66 Cb -0.16 -4.41 -0.04 0.00 -1.58 0.00 0.00 42.46 36.27 1lui s ILE 66 CO 0.20 -0.97 1.17 -0.75 -1.23 0.00 0.00 174.94 173.36 1lui s LYS 67 N 3.14 3.10 -0.07 2.79 2.47 2.68 -3.33 119.74 130.50 1lui s LYS 67 Ca 0.20 1.72 0.03 0.00 -1.56 0.00 0.00 55.97 56.36 1lui s LYS 67 Cb -0.17 -1.96 -0.02 0.00 -1.46 0.00 0.00 37.83 34.22 1lui s LYS 67 CO 0.14 -1.08 -0.16 -1.21 0.16 0.00 0.00 175.35 173.20 1lui s GLU 68 N -3.36 2.77 -0.35 4.03 2.02 -1.18 0.30 118.70 122.91 1lui s GLU 68 Ca 0.75 -0.73 -0.00 0.00 0.02 0.00 0.00 54.97 55.01 1lui s GLU 68 Cb -0.27 -2.41 0.14 0.00 0.10 0.00 0.00 34.13 31.68 1lui s GLU 68 CO 0.31 0.46 0.21 -0.08 0.02 0.00 0.00 175.26 176.18 1lui s THR 69 N -0.32 0.25 0.00 3.63 -1.32 3.18 -4.87 115.64 116.19 1lui s THR 69 Ca 0.02 -1.71 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 1lui s THR 69 Cb -0.13 -1.19 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 1lui s THR 69 CO 0.02 -0.96 0.57 -0.46 -2.21 0.00 0.00 174.62 171.59 1lui n ASN 70 N 4.10 -1.14 0.00 8.08 2.04 -1.26 -3.69 115.26 123.38 1lui n ASN 70 Ca 0.10 -0.76 0.00 0.00 -0.44 0.00 0.00 54.58 53.48 1lui n ASN 70 Cb 0.37 -0.27 0.00 0.00 -2.53 0.00 0.00 39.78 37.35 1lui n ASN 70 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 1lui n ASP 71 N 2.86 0.13 -3.18 0.53 -0.08 -1.21 -5.00 116.55 110.59 1lui n ASP 71 Ca 0.00 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 53.05 1lui n ASP 71 Cb 0.29 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.68 1lui n ASP 71 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1lui n SER 72 N 0.00 0.17 -0.08 1.67 3.41 -1.26 -4.66 113.62 112.86 1lui n SER 72 Ca 0.00 -2.74 -0.22 0.00 -0.26 0.00 0.00 58.87 55.66 1lui n SER 72 Cb 0.00 -0.58 -0.12 0.00 -0.26 0.00 0.00 64.21 63.24 1lui n SER 72 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1lui n PRO 73 N 1.29 0.67 -0.52 4.33 -0.04 -1.26 -5.08 135.00 134.38 1lui n PRO 73 Ca 0.21 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.94 1lui n PRO 73 Cb 0.55 -1.61 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 1lui n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1lui n LYS 74 N -3.67 0.00 -0.09 0.54 4.01 -1.25 -4.65 118.16 113.05 1lui n LYS 74 Ca -0.41 0.00 -0.18 0.00 -0.51 0.00 0.00 58.31 57.21 1lui n LYS 74 Cb 0.95 0.00 -0.06 0.00 -0.51 0.00 0.00 35.03 35.41 1lui n LYS 74 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1lui n ARG 75 N -0.05 0.41 -3.45 1.97 1.74 1.26 -3.32 116.66 115.20 1lui n ARG 75 Ca 0.00 0.18 -0.33 0.00 -0.77 0.00 0.00 57.85 56.93 1lui n ARG 75 Cb 0.00 -1.19 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 1lui n ARG 75 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1lui s TYR 76 N -2.41 3.47 0.13 -1.55 2.02 0.88 0.68 117.35 120.57 1lui s TYR 76 Ca -0.26 0.85 -0.25 0.00 -0.37 0.00 0.00 57.07 57.04 1lui s TYR 76 Cb 0.09 -2.23 0.08 0.00 -0.40 0.00 0.00 41.96 39.50 1lui s TYR 76 CO 0.34 0.34 1.07 1.52 -1.57 0.00 0.00 175.55 177.24 1lui s TYR 77 N -1.71 -0.02 0.10 2.71 1.13 0.88 0.43 117.35 120.86 1lui s TYR 77 Ca 0.44 -0.28 0.00 0.00 -1.41 0.00 0.00 57.07 55.82 1lui s TYR 77 Cb -0.12 0.65 0.00 0.00 -1.10 0.00 0.00 41.96 41.38 1lui s TYR 77 CO 0.21 -0.74 0.00 1.33 -2.51 0.00 0.00 175.55 173.84 1lui n VAL 78 N -0.60 1.07 -2.10 -3.49 0.24 -1.26 0.62 118.33 112.81 1lui n VAL 78 Ca -0.05 0.35 -0.39 0.00 -2.04 0.00 0.00 64.34 62.22 1lui n VAL 78 Cb 0.60 -1.54 0.03 0.00 -1.47 0.00 0.00 33.84 31.47 1lui n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lui n ALA 79 N -3.45 6.32 -1.63 2.33 0.00 -1.26 -4.80 120.51 118.02 1lui n ALA 79 Ca 0.00 -4.23 0.00 0.00 0.00 0.00 0.00 53.44 49.21 1lui n ALA 79 Cb 0.05 -1.90 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1lui n ALA 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lui n GLU 80 N -0.45 -2.00 0.00 0.00 1.02 -1.26 -4.63 120.64 113.31 1lui n GLU 80 Ca 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 1lui n GLU 80 Cb 0.27 -3.11 0.00 0.00 -0.02 0.00 0.00 31.44 28.58 1lui n GLU 80 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1lui n LYS 81 N -1.52 0.00 -3.91 3.49 5.02 -1.26 -4.95 118.16 115.04 1lui n LYS 81 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 1lui n LYS 81 Cb 0.27 -0.15 -0.13 0.00 -0.02 0.00 0.00 35.03 34.99 1lui n LYS 81 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1lui s TYR 82 N -0.00 3.42 -0.24 2.13 1.51 -1.26 -5.06 117.35 117.84 1lui s TYR 82 Ca 0.00 -2.22 -0.13 0.00 -1.01 0.00 0.00 57.07 53.71 1lui s TYR 82 Cb 0.00 -2.49 -0.04 0.00 -0.11 0.00 0.00 41.96 39.32 1lui s TYR 82 CO 0.00 -0.88 0.28 0.14 -1.11 0.00 0.00 175.55 173.98 1lui s VAL 83 N 1.16 5.26 0.16 0.71 -7.23 -1.20 -4.16 120.40 115.11 1lui s VAL 83 Ca 0.00 0.41 0.01 0.00 -1.81 0.00 0.00 61.98 60.59 1lui s VAL 83 Cb -0.20 -3.61 0.01 0.00 0.56 0.00 0.00 36.38 33.13 1lui s VAL 83 CO -0.03 0.26 0.07 0.49 -0.31 0.00 0.00 175.10 175.57 1lui n PHE 84 N 4.73 -0.50 1.14 2.82 3.01 1.46 -3.90 117.46 126.22 1lui n PHE 84 Ca -0.12 -0.74 0.12 0.00 1.01 0.00 0.00 57.45 57.73 1lui n PHE 84 Cb 0.51 -0.12 0.20 0.00 -0.01 0.00 0.00 39.48 40.06 1lui n PHE 84 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1lui n ASP 85 N -1.56 1.91 -3.58 4.37 2.03 -1.26 0.39 116.55 118.85 1lui n ASP 85 Ca -0.03 -1.47 -0.13 0.00 0.52 0.00 0.00 54.79 53.68 1lui n ASP 85 Cb 0.20 0.21 -0.06 0.00 -0.72 0.00 0.00 41.12 40.75 1lui n ASP 85 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1lui s SER 86 N -2.30 -0.49 0.26 1.67 0.01 -1.26 -4.85 113.70 106.73 1lui s SER 86 Ca 0.25 0.65 -0.02 0.00 1.31 0.00 0.00 55.95 58.14 1lui s SER 86 Cb 0.19 0.56 0.48 0.00 0.21 0.00 0.00 66.02 67.46 1lui s SER 86 CO 0.46 -0.37 1.79 0.40 0.41 0.00 0.00 173.24 175.93 1lui h ILE 87 N 2.98 0.84 -0.47 1.44 5.03 -1.95 0.62 117.51 125.99 1lui h ILE 87 Ca -0.23 -0.26 0.09 0.00 -0.12 0.00 0.00 64.86 64.34 1lui h ILE 87 Cb 1.16 0.02 -0.08 0.00 -3.03 0.00 0.00 36.82 34.89 1lui h ILE 87 CO 0.28 0.14 0.02 1.55 -0.68 0.00 0.00 178.15 179.45 1lui h PRO 88 N 0.75 0.13 -0.00 2.37 0.13 -1.96 9.98 132.00 143.40 1lui h PRO 88 Ca 0.44 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1lui h PRO 88 Cb 0.50 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.60 1lui h PRO 88 CO -0.30 0.08 -0.00 -0.07 -0.23 0.00 0.00 178.00 177.49 1lui h LEU 89 N 0.13 0.01 -1.54 1.56 4.07 -1.74 4.74 115.31 122.55 1lui h LEU 89 Ca 0.24 -0.49 0.13 0.00 0.08 0.00 0.00 57.88 57.84 1lui h LEU 89 Cb 0.35 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 1lui h LEU 89 CO -0.38 0.50 0.49 0.25 -1.08 0.00 0.00 178.44 178.22 1lui h LEU 90 N -0.48 0.44 0.13 1.67 6.46 0.13 1.15 115.31 124.81 1lui h LEU 90 Ca 0.00 0.02 -0.20 0.00 -0.12 0.00 0.00 57.88 57.58 1lui h LEU 90 Cb 0.50 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 40.38 1lui h LEU 90 CO 0.00 0.24 -0.86 0.40 -0.62 0.00 0.00 178.44 177.60 1lui h ILE 91 N 0.47 1.48 -0.94 4.05 1.08 2.22 -2.61 117.51 123.26 1lui h ILE 91 Ca 0.36 -2.49 0.13 0.00 -0.39 0.00 0.00 64.86 62.46 1lui h ILE 91 Cb 0.74 3.11 -0.08 0.00 -3.07 0.00 0.00 36.82 37.52 1lui h ILE 91 CO -0.12 0.71 0.60 1.56 -0.69 0.00 0.00 178.15 180.21 1lui h GLN 92 N -0.28 0.83 -0.18 2.37 1.08 1.16 2.10 115.11 122.20 1lui h GLN 92 Ca -0.14 -0.05 -0.13 0.00 -1.45 0.00 0.00 58.65 56.87 1lui h GLN 92 Cb 1.65 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.89 1lui h GLN 92 CO 0.16 0.55 -0.45 0.10 -0.95 0.00 0.00 178.83 178.24 1lui h TYR 93 N 0.86 0.54 0.00 2.96 -0.00 0.12 -2.73 116.97 118.72 1lui h TYR 93 Ca 0.47 -0.17 -0.01 0.00 0.00 0.00 0.00 58.73 59.02 1lui h TYR 93 Cb 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 36.73 37.19 1lui h TYR 93 CO -0.00 0.82 -0.27 0.45 -0.00 0.00 0.00 178.16 179.16 1lui h HIS 94 N 0.36 0.00 -0.00 0.10 3.86 -0.08 0.96 115.15 120.35 1lui h HIS 94 Ca 0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1lui h HIS 94 Cb 0.94 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.41 1lui h HIS 94 CO 0.03 0.05 -0.03 1.04 0.86 0.00 0.00 177.93 179.89 1lui n GLN 95 N -3.02 0.85 0.02 2.45 6.02 0.67 0.27 117.38 124.64 1lui n GLN 95 Ca 0.03 -0.14 0.00 0.00 -0.01 0.00 0.00 57.00 56.87 1lui n GLN 95 Cb 0.56 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.32 1lui n GLN 95 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1lui n TYR 96 N -0.95 -0.37 -0.51 1.08 4.02 -1.08 -4.79 117.16 114.55 1lui n TYR 96 Ca 0.19 0.07 -0.05 0.00 -0.01 0.00 0.00 57.90 58.10 1lui n TYR 96 Cb 0.20 0.39 0.04 0.00 -0.02 0.00 0.00 39.34 39.96 1lui n TYR 96 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1lui n ASN 97 N -2.78 -1.33 0.08 7.72 3.02 0.33 -4.98 115.26 117.31 1lui n ASN 97 Ca 0.00 -0.54 -0.19 0.00 -0.03 0.00 0.00 54.58 53.82 1lui n ASN 97 Cb 0.10 -0.16 -0.14 0.00 -0.61 0.00 0.00 39.78 38.97 1lui n ASN 97 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1lui h GLY 98 N -0.92 0.35 0.00 7.41 0.00 -1.88 -3.45 103.07 104.58 1lui h GLY 98 Ca -0.06 -0.89 0.00 0.00 0.00 0.00 0.00 47.33 46.37 1lui h GLY 98 CO 0.04 0.78 0.00 0.61 0.00 0.00 0.00 176.54 177.97 1lui n GLY 99 N 1.69 0.39 0.50 4.60 0.00 -1.26 -3.68 105.19 107.44 1lui n GLY 99 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1lui n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lui n GLY 100 N 0.00 0.86 0.00 -0.02 0.00 -1.26 -4.78 105.19 99.99 1lui n GLY 100 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1lui n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lui n LEU 101 N 0.00 0.00 0.18 0.99 4.32 -1.25 -4.86 117.00 116.37 1lui n LEU 101 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 56.01 56.05 1lui n LEU 101 Cb 0.00 0.00 0.34 0.00 -1.62 0.00 0.00 43.42 42.14 1lui n LEU 101 CO 0.00 -0.00 0.82 -0.37 -1.22 0.00 0.00 177.39 176.62 1lui h VAL 102 N -0.00 0.00 0.00 4.08 -1.51 -1.94 -3.35 116.25 113.53 1lui h VAL 102 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1lui h VAL 102 Cb 0.00 0.27 0.00 0.00 -2.13 0.00 0.00 31.29 29.43 1lui h VAL 102 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 177.57 177.41 1lui n THR 103 N -2.08 0.00 -1.02 7.19 5.66 -1.26 -4.87 114.28 117.90 1lui n THR 103 Ca -0.01 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 1lui n THR 103 Cb 0.39 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.14 1lui n THR 103 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1lui n ARG 104 N 0.00 -1.56 -1.06 1.09 -4.01 -1.24 -3.72 116.66 106.15 1lui n ARG 104 Ca 0.00 1.26 -0.05 0.00 -1.04 0.00 0.00 57.85 58.02 1lui n ARG 104 Cb 0.00 -2.01 -0.03 0.00 -3.04 0.00 0.00 32.46 27.39 1lui n ARG 104 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1lui n LEU 105 N -3.20 -1.06 -0.01 2.89 7.99 0.77 -4.57 117.00 119.80 1lui n LEU 105 Ca -0.03 -1.40 -0.10 0.00 -0.01 0.00 0.00 56.01 54.47 1lui n LEU 105 Cb 0.27 -0.65 0.04 0.00 -0.11 0.00 0.00 43.42 42.97 1lui n LEU 105 CO 0.01 -1.84 0.48 -0.09 -1.51 0.00 0.00 177.39 174.44 1lui h ARG 106 N 9.08 0.62 -0.47 3.23 1.12 -1.37 -3.33 114.38 123.27 1lui h ARG 106 Ca 0.02 -0.39 0.13 0.00 -1.11 0.00 0.00 59.98 58.63 1lui h ARG 106 Cb 0.88 0.04 -0.19 0.00 -0.01 0.00 0.00 29.97 30.69 1lui h ARG 106 CO 0.96 1.00 -0.16 -0.47 -3.11 0.00 0.00 179.97 178.19 1lui s TYR 107 N -4.03 -0.86 0.36 2.20 5.04 -0.73 -4.87 117.35 114.45 1lui s TYR 107 Ca -0.08 0.36 -0.26 0.00 -2.44 0.00 0.00 57.07 54.65 1lui s TYR 107 Cb 0.11 0.15 -0.12 0.00 0.35 0.00 0.00 41.96 42.45 1lui s TYR 107 CO 0.85 -0.53 1.06 -0.35 -1.34 0.00 0.00 175.55 175.25 1lui n PRO 108 N 4.71 1.51 -4.40 4.97 -0.04 -1.22 0.25 135.00 140.78 1lui n PRO 108 Ca 0.08 0.53 -0.28 0.00 -0.04 0.00 0.00 63.50 63.79 1lui n PRO 108 Cb 0.58 -2.03 -0.12 0.00 -0.04 0.00 0.00 33.50 31.89 1lui n PRO 108 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1lui s VAL 109 N -1.16 2.29 -0.37 0.52 -7.23 4.02 -4.40 120.40 114.07 1lui s VAL 109 Ca 0.60 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 1lui s VAL 109 Cb -0.61 -2.05 0.15 0.00 0.56 0.00 0.00 36.38 34.43 1lui s VAL 109 CO 0.59 0.00 0.28 0.00 -0.31 0.00 0.00 175.10 175.66