#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lui n ASN 5 N 0.00 0.00 -0.01 6.41 2.04 -1.26 -4.83 115.26 117.61 1lui n ASN 5 Ca 0.00 -1.08 -0.00 0.00 -0.44 0.00 0.00 54.58 53.06 1lui n ASN 5 Cb 0.00 0.00 -0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1lui n ASN 5 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1lui n LEU 6 N -0.87 0.53 -2.50 -4.53 -0.00 -1.26 -4.71 117.00 103.66 1lui n LEU 6 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1lui n LEU 6 Cb 0.07 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 41.90 1lui n LEU 6 CO 0.11 -0.54 0.46 -1.84 -0.00 0.00 0.00 177.39 175.58 1lui n GLU 7 N 0.52 0.00 0.00 1.47 0.28 -1.26 -1.30 120.64 120.35 1lui n GLU 7 Ca -0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1lui n GLU 7 Cb 0.27 -1.46 0.00 0.00 1.43 0.00 0.00 31.44 31.68 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 2.90 0.00 -3.41 3.84 5.66 -1.26 -5.11 114.28 116.89 1lui n THR 8 Ca 0.00 0.00 -0.38 0.00 -3.05 0.00 0.00 64.05 60.62 1lui n THR 8 Cb 0.00 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 68.70 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 3.33 0.60 1.09 2.02 -0.42 -4.91 117.35 119.06 1lui s TYR 9 Ca 0.00 0.51 0.28 0.00 -0.37 0.00 0.00 57.07 57.50 1lui s TYR 9 Cb 0.00 -2.52 1.04 0.00 -0.40 0.00 0.00 41.96 40.08 1lui s TYR 9 CO 0.00 -0.07 1.39 1.05 -1.57 0.00 0.00 175.55 176.35 1lui h GLU 10 N 7.63 0.00 0.07 -0.62 4.11 -1.91 1.40 114.58 125.26 1lui h GLU 10 Ca -0.35 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.71 1lui h GLU 10 Cb 1.16 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.37 1lui h GLU 10 CO 0.69 0.00 -2.16 -2.67 0.07 0.00 0.00 179.01 174.94 1lui n TRP 11 N -3.34 0.76 -1.93 2.06 4.27 -1.25 0.46 117.44 118.47 1lui n TRP 11 Ca 0.23 0.17 -0.43 0.00 -3.89 0.00 0.00 57.50 53.58 1lui n TRP 11 Cb 1.45 -1.10 -0.03 0.00 -1.36 0.00 0.00 31.31 30.27 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 -2.55 1.77 -0.35 -2.67 5.04 0.48 0.50 117.35 119.57 1lui s TYR 12 Ca -0.25 0.31 -0.00 0.00 -2.44 0.00 0.00 57.07 54.68 1lui s TYR 12 Cb 0.07 -4.01 0.12 0.00 0.35 0.00 0.00 41.96 38.49 1lui s TYR 12 CO 0.72 -3.75 0.18 -0.80 -1.34 0.00 0.00 175.55 170.55 1lui s ASN 13 N 4.86 3.48 0.86 4.32 -0.87 2.17 -4.42 114.94 125.34 1lui s ASN 13 Ca 0.80 -1.98 -0.12 0.00 -1.57 0.00 0.00 52.86 49.98 1lui s ASN 13 Cb -0.31 -0.64 0.11 0.00 -0.02 0.00 0.00 41.25 40.39 1lui s ASN 13 CO 0.33 -0.35 1.14 -0.54 -2.57 0.00 0.00 177.10 175.11 1lui s LYS 14 N 1.24 1.57 0.00 -0.60 1.02 -1.22 -3.18 119.74 118.56 1lui s LYS 14 Ca 0.14 0.31 0.00 0.00 0.02 0.00 0.00 55.97 56.44 1lui s LYS 14 Cb -0.21 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.22 1lui s LYS 14 CO -0.13 -1.91 0.00 -1.13 -0.92 0.00 0.00 175.35 171.27 1lui n SER 15 N -3.57 0.00 -4.62 2.83 3.41 -1.26 -4.83 113.62 105.57 1lui n SER 15 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1lui n SER 15 Cb 0.59 -0.95 0.19 0.00 -0.26 0.00 0.00 64.21 63.78 1lui n SER 15 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1lui s ILE 16 N -0.97 2.15 0.06 -1.33 1.01 -1.22 -5.04 121.20 115.87 1lui s ILE 16 Ca 0.00 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.77 1lui s ILE 16 Cb 0.00 -2.13 -0.03 0.00 0.01 0.00 0.00 42.46 40.31 1lui s ILE 16 CO 0.00 -0.07 -0.20 -0.55 0.00 0.00 0.00 174.94 174.12 1lui s SER 17 N -2.70 2.40 0.56 3.58 0.15 -1.26 -4.86 113.70 111.57 1lui s SER 17 Ca 0.67 -0.56 0.32 0.00 0.70 0.00 0.00 55.95 57.08 1lui s SER 17 Cb -0.23 -0.17 1.47 0.00 -1.71 0.00 0.00 66.02 65.38 1lui s SER 17 CO 0.60 0.12 1.82 0.08 1.20 0.00 0.00 173.24 177.06 1lui h ARG 18 N 4.64 0.00 -0.13 5.44 -0.00 -1.99 0.18 114.38 122.52 1lui h ARG 18 Ca -0.43 0.00 -0.20 0.00 -0.00 0.00 0.00 59.98 59.35 1lui h ARG 18 Cb 1.17 0.00 0.01 0.00 -0.00 0.00 0.00 29.97 31.15 1lui h ARG 18 CO 0.43 0.00 -0.70 -0.44 -0.00 0.00 0.00 179.97 179.25 1lui h ASP 19 N 0.00 0.84 0.00 0.08 3.32 -2.01 -3.21 116.42 115.43 1lui h ASP 19 Ca 0.42 -0.64 -0.00 0.00 0.02 0.00 0.00 57.03 56.83 1lui h ASP 19 Cb 1.85 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 41.15 1lui h ASP 19 CO -0.00 1.35 -0.01 0.11 -1.72 0.00 0.00 179.24 178.96 1lui h LYS 20 N 0.39 0.00 -0.98 3.56 6.56 -1.12 -3.23 116.57 121.76 1lui h LYS 20 Ca -0.05 -0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.74 1lui h LYS 20 Cb 1.34 0.00 -0.11 0.00 -0.57 0.00 0.00 32.23 32.89 1lui h LYS 20 CO 0.14 0.86 0.56 0.00 -2.06 0.00 0.00 179.45 178.96 1lui h ALA 21 N 0.14 1.64 0.15 3.86 0.00 -1.29 1.46 119.26 125.22 1lui h ALA 21 Ca -0.00 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1lui h ALA 21 Cb 0.87 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1lui h ALA 21 CO 0.00 -0.16 -0.07 0.93 0.00 0.00 0.00 179.25 179.95 1lui h GLU 22 N 0.65 -0.19 -0.10 0.00 5.08 -1.66 2.77 114.58 121.13 1lui h GLU 22 Ca 0.59 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.96 1lui h GLU 22 Cb 1.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 1lui h GLU 22 CO -0.43 -0.13 0.04 1.57 -1.00 0.00 0.00 179.01 179.06 1lui h LYS 23 N -0.20 0.15 -0.06 2.33 2.10 -0.94 1.45 116.57 121.39 1lui h LYS 23 Ca -0.02 -0.03 -0.07 0.00 -2.00 0.00 0.00 60.65 58.53 1lui h LYS 23 Cb 0.15 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1lui h LYS 23 CO 0.03 0.25 -0.29 1.37 -2.00 0.00 0.00 179.45 178.81 1lui h LEU 24 N 0.01 0.11 0.05 7.07 -0.00 0.21 0.14 115.31 122.90 1lui h LEU 24 Ca 0.03 -0.03 -0.16 0.00 -0.00 0.00 0.00 57.88 57.72 1lui h LEU 24 Cb 0.16 -0.03 0.02 0.00 -0.00 0.00 0.00 40.66 40.80 1lui h LEU 24 CO -0.00 0.40 -0.65 -0.07 -0.00 0.00 0.00 178.44 178.12 1lui h LEU 25 N 0.10 0.48 -1.42 0.17 3.38 0.53 -3.28 115.31 115.28 1lui h LEU 25 Ca 0.01 -0.83 -0.01 0.00 0.09 0.00 0.00 57.88 57.14 1lui h LEU 25 Cb 0.57 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 1lui h LEU 25 CO 0.04 1.26 0.27 0.25 0.09 0.00 0.00 178.44 180.35 1lui h LEU 26 N -0.23 0.58 -1.96 1.67 5.85 0.22 -1.40 115.31 120.04 1lui h LEU 26 Ca -0.09 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.66 1lui h LEU 26 Cb 1.40 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 1lui h LEU 26 CO 0.12 0.47 0.41 0.44 -0.34 0.00 0.00 178.44 179.54 1lui h ASP 27 N 0.67 0.00 0.40 1.25 5.19 -1.02 0.46 116.42 123.36 1lui h ASP 27 Ca 0.17 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.27 1lui h ASP 27 Cb 0.01 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.48 1lui h ASP 27 CO -0.03 0.00 -1.81 1.07 -3.12 0.00 0.00 179.24 175.35 1lui n THR 28 N -3.39 1.62 -3.17 0.35 5.66 -0.54 -5.04 114.28 109.77 1lui n THR 28 Ca 0.04 -0.78 -0.21 0.00 -3.05 0.00 0.00 64.05 60.05 1lui n THR 28 Cb 0.53 -1.10 0.02 0.00 -1.55 0.00 0.00 70.33 68.23 1lui n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1lui n GLY 29 N 1.64 -0.77 3.20 1.09 0.00 0.16 -5.02 105.19 105.49 1lui n GLY 29 Ca -0.21 1.02 -0.12 0.00 0.00 0.00 0.00 46.02 46.72 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 -2.28 1.01 -0.51 1.61 -0.14 -1.26 -4.99 119.74 113.18 1lui s LYS 30 Ca 0.26 -1.48 -0.26 0.00 -1.36 0.00 0.00 55.97 53.13 1lui s LYS 30 Cb -0.04 -0.07 0.03 0.00 -1.68 0.00 0.00 37.83 36.07 1lui s LYS 30 CO 0.74 -0.17 1.03 -2.00 -0.76 0.00 0.00 175.35 174.19 1lui s GLU 31 N -3.96 3.52 -0.31 1.68 2.12 -1.26 -3.01 118.70 117.48 1lui s GLU 31 Ca 0.23 0.16 -0.01 0.00 0.36 0.00 0.00 54.97 55.70 1lui s GLU 31 Cb 0.07 -3.97 0.00 0.00 0.26 0.00 0.00 34.13 30.49 1lui s GLU 31 CO 0.02 -1.42 0.16 0.41 -0.54 0.00 0.00 175.26 173.90 1lui n GLY 32 N 4.99 0.50 3.75 -1.50 0.00 -0.37 -4.46 105.19 108.10 1lui n GLY 32 Ca 0.07 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 45.12 1lui n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lui s ALA 33 N -2.79 3.73 0.11 4.61 0.00 1.44 -0.23 121.76 128.63 1lui s ALA 33 Ca 0.08 1.55 0.09 0.00 0.00 0.00 0.00 51.96 53.69 1lui s ALA 33 Cb -0.04 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 1lui s ALA 33 CO 0.10 -0.97 -0.24 0.12 0.00 0.00 0.00 175.76 174.77 1lui s PHE 34 N -0.09 2.01 0.31 0.00 5.36 1.33 0.23 117.98 127.13 1lui s PHE 34 Ca 0.62 -0.40 -0.15 0.00 -0.96 0.00 0.00 56.93 56.04 1lui s PHE 34 Cb -0.47 -1.10 0.02 0.00 -0.34 0.00 0.00 43.02 41.13 1lui s PHE 34 CO 0.49 0.26 0.63 1.41 -1.46 0.00 0.00 175.22 176.55 1lui s MET 35 N -1.95 1.85 0.00 10.12 -2.45 2.39 0.76 119.30 130.03 1lui s MET 35 Ca 0.10 -1.29 -0.08 0.00 -1.25 0.00 0.00 55.69 53.17 1lui s MET 35 Cb -0.10 0.55 0.00 0.00 1.25 0.00 0.00 34.83 36.53 1lui s MET 35 CO 0.05 -0.82 0.15 0.08 1.05 0.00 0.00 175.02 175.53 1lui s VAL 36 N -3.43 0.08 -0.14 10.11 1.01 1.88 0.49 120.40 130.42 1lui s VAL 36 Ca 0.18 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1lui s VAL 36 Cb -0.03 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 35.94 1lui s VAL 36 CO 0.11 -0.38 0.28 0.00 0.00 0.00 0.00 175.10 175.11 1lui s ARG 37 N -1.43 0.18 0.59 2.72 1.70 1.14 0.55 118.95 124.41 1lui s ARG 37 Ca -0.14 0.76 -0.20 0.00 -0.47 0.00 0.00 55.73 55.68 1lui s ARG 37 Cb -0.07 0.00 -0.03 0.00 -0.57 0.00 0.00 34.95 34.28 1lui s ARG 37 CO 0.02 -0.26 1.29 -3.47 -1.08 0.00 0.00 175.30 171.80 1lui n ASP 38 N 5.19 2.23 0.00 -2.89 2.03 -1.26 0.52 116.55 122.37 1lui n ASP 38 Ca -0.09 0.90 0.00 0.00 0.52 0.00 0.00 54.79 56.12 1lui n ASP 38 Cb 0.50 -1.55 0.00 0.00 -0.72 0.00 0.00 41.12 39.35 1lui n ASP 38 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1lui n SER 39 N -1.35 1.50 -0.00 1.67 2.88 -1.15 -4.42 113.62 112.75 1lui n SER 39 Ca 0.13 0.00 0.03 0.00 -1.33 0.00 0.00 58.87 57.70 1lui n SER 39 Cb 0.46 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.87 1lui n SER 39 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1lui n ARG 40 N 0.00 0.63 0.00 -1.46 3.00 -1.26 -4.83 116.66 112.74 1lui n ARG 40 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1lui n ARG 40 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.33 1lui n ARG 40 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1lui n THR 41 N -1.68 0.00 0.00 5.15 5.66 -1.26 -4.24 114.28 117.91 1lui n THR 41 Ca -0.01 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.99 1lui n THR 41 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 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 -0.29 0.00 0.00 1.09 -0.02 -1.26 -4.36 135.00 130.16 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 -1.77 0.00 0.00 -0.02 0.00 0.00 33.50 31.71 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 -0.81 1.51 0.00 -1.23 0.00 -1.26 -5.05 105.19 98.34 1lui n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lui n GLY 43 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1lui n THR 44 N -0.75 0.00 -4.20 2.61 5.66 -1.26 -4.92 114.28 111.42 1lui n THR 44 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1lui n THR 44 Cb 0.00 -1.92 -0.10 0.00 -1.55 0.00 0.00 70.33 66.76 1lui n THR 44 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1lui s TYR 45 N -0.57 1.05 0.21 1.09 1.51 -1.26 -2.92 117.35 116.46 1lui s TYR 45 Ca 0.00 -0.86 -0.01 0.00 -1.01 0.00 0.00 57.07 55.19 1lui s TYR 45 Cb 0.00 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1lui s TYR 45 CO 0.00 -0.06 0.40 0.99 -1.11 0.00 0.00 175.55 175.77 1lui s THR 46 N -3.51 5.19 -0.21 -0.71 2.01 1.98 0.16 115.64 120.55 1lui s THR 46 Ca 0.14 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 61.83 1lui s THR 46 Cb 0.04 -3.73 0.05 0.00 0.01 0.00 0.00 72.50 68.87 1lui s THR 46 CO -0.02 -0.18 -0.08 -0.69 -0.69 0.00 0.00 174.62 172.96 1lui s VAL 47 N -1.88 1.60 -0.40 3.82 1.01 2.45 0.36 120.40 127.38 1lui s VAL 47 Ca 0.39 -1.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 1lui s VAL 47 Cb -0.11 -1.75 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1lui s VAL 47 CO 0.29 0.06 0.90 -0.44 0.00 0.00 0.00 175.10 175.91 1lui s SER 48 N 1.39 6.60 -0.13 3.32 0.01 1.83 0.53 113.70 127.26 1lui s SER 48 Ca -0.03 0.40 0.00 0.00 1.31 0.00 0.00 55.95 57.63 1lui s SER 48 Cb -0.17 -2.45 0.02 0.00 0.21 0.00 0.00 66.02 63.63 1lui s SER 48 CO -0.07 -0.89 -0.11 0.68 0.41 0.00 0.00 173.24 173.25 1lui s VAL 49 N 3.48 1.30 0.01 3.43 -7.23 0.61 0.58 120.40 122.59 1lui s VAL 49 Ca 0.36 -0.47 0.02 0.00 -1.81 0.00 0.00 61.98 60.08 1lui s VAL 49 Cb -0.12 -1.25 -0.01 0.00 0.56 0.00 0.00 36.38 35.56 1lui s VAL 49 CO 0.21 0.41 -0.07 0.72 -0.31 0.00 0.00 175.10 176.06 1lui s PHE 50 N 1.50 0.59 -0.20 2.82 -0.71 0.61 0.33 117.98 122.92 1lui s PHE 50 Ca 0.03 -0.25 -0.04 0.00 -1.04 0.00 0.00 56.93 55.63 1lui s PHE 50 Cb -0.13 -0.37 0.08 0.00 -1.21 0.00 0.00 43.02 41.40 1lui s PHE 50 CO -0.08 -0.03 0.17 0.99 -1.34 0.00 0.00 175.22 174.92 1lui s THR 51 N -0.60 -0.22 -0.25 -4.49 2.01 0.59 0.43 115.64 113.09 1lui s THR 51 Ca -0.02 -0.18 -0.16 0.00 0.31 0.00 0.00 61.69 61.64 1lui s THR 51 Cb -0.05 -0.66 -0.08 0.00 0.01 0.00 0.00 72.50 71.72 1lui s THR 51 CO 0.00 -0.27 0.90 1.17 -0.69 0.00 0.00 174.62 175.74 1lui n LYS 52 N 5.30 0.00 0.00 4.92 4.81 -1.16 -3.88 118.16 128.15 1lui n LYS 52 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1lui n LYS 52 Cb 0.49 -0.59 0.00 0.00 0.02 0.00 0.00 35.03 34.95 1lui n LYS 52 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1lui n ALA 53 N 3.28 0.00 -3.68 3.14 0.00 -1.26 -4.87 120.51 117.12 1lui n ALA 53 Ca 0.23 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.35 1lui n ALA 53 Cb -0.01 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.46 1lui n ALA 53 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1lui n ILE 54 N 0.00 -3.50 -0.16 0.00 -0.00 -1.24 -4.48 119.36 109.99 1lui n ILE 54 Ca 0.00 0.03 0.23 0.00 -0.00 0.00 0.00 62.75 63.00 1lui n ILE 54 Cb 0.00 -3.15 0.35 0.00 -0.00 0.00 0.00 39.64 36.83 1lui n ILE 54 CO 0.00 0.00 0.00 -0.38 -0.00 0.00 0.00 176.55 176.17 1lui n ILE 55 N -1.53 0.00 0.24 1.39 2.08 -1.26 0.91 119.36 121.19 1lui n ILE 55 Ca -0.22 1.05 -0.15 0.00 0.56 0.00 0.00 62.75 63.99 1lui n ILE 55 Cb 0.70 -1.90 -0.08 0.00 -0.75 0.00 0.00 39.64 37.61 1lui n ILE 55 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1lui h SER 56 N 0.00 -0.50 0.00 4.38 0.02 -1.94 -3.48 113.55 112.03 1lui h SER 56 Ca 0.40 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 1lui h SER 56 Cb 2.45 0.13 0.00 0.00 0.14 0.00 0.00 62.40 65.11 1lui h SER 56 CO -0.00 -0.26 0.00 1.21 -1.14 0.00 0.00 176.83 176.64 1lui n GLU 57 N -5.29 0.00 0.21 3.45 4.07 0.26 -5.13 120.64 118.21 1lui n GLU 57 Ca -0.11 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 56.99 1lui n GLU 57 Cb 0.28 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.66 1lui n GLU 57 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1lui n ASN 58 N 0.00 -3.75 -0.03 4.31 5.03 -1.26 -4.97 115.26 114.59 1lui n ASN 58 Ca 0.00 0.84 -0.00 0.00 0.87 0.00 0.00 54.58 56.29 1lui n ASN 58 Cb 0.00 3.54 -0.00 0.00 -1.02 0.00 0.00 39.78 42.30 1lui n ASN 58 CO 0.00 0.00 0.00 -0.65 -1.83 0.00 0.00 177.26 174.78 1lui h PRO 59 N 0.00 -0.02 -1.86 3.52 0.11 -1.91 -3.47 132.00 128.38 1lui h PRO 59 Ca 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.81 1lui h PRO 59 Cb 0.00 0.00 -0.30 0.00 0.11 0.00 0.00 31.00 30.81 1lui h PRO 59 CO 0.00 -0.01 -0.63 0.00 -0.21 0.00 0.00 178.00 177.15 1lui s ILE 61 N 1.83 2.23 0.24 0.00 -1.09 -1.26 0.22 121.20 123.36 1lui s ILE 61 Ca 0.14 -0.92 0.10 0.00 -2.23 0.00 0.00 60.65 57.74 1lui s ILE 61 Cb -0.14 -1.91 -0.05 0.00 -1.58 0.00 0.00 42.46 38.79 1lui s ILE 61 CO -0.14 0.54 -0.18 -0.75 -1.23 0.00 0.00 174.94 173.19 1lui s LYS 62 N 0.82 1.50 -0.28 2.79 2.20 0.99 -4.91 119.74 122.85 1lui s LYS 62 Ca -0.07 -1.66 0.03 0.00 -0.36 0.00 0.00 55.97 53.91 1lui s LYS 62 Cb -0.15 -1.48 0.07 0.00 -1.51 0.00 0.00 37.83 34.76 1lui s LYS 62 CO -0.01 0.27 -0.08 -1.01 -0.36 0.00 0.00 175.35 174.16 1lui s HIS 63 N -2.64 3.37 -0.33 4.03 3.76 -1.25 0.23 115.29 122.47 1lui s HIS 63 Ca 0.26 -2.47 -0.14 0.00 -0.15 0.00 0.00 55.06 52.56 1lui s HIS 63 Cb -0.03 -2.14 -0.02 0.00 1.11 0.00 0.00 32.58 31.50 1lui s HIS 63 CO 0.11 -0.89 0.30 0.71 -0.85 0.00 0.00 174.74 174.12 1lui s TYR 64 N 1.06 3.22 0.23 1.40 2.02 2.07 -4.75 117.35 122.61 1lui s TYR 64 Ca -0.05 -0.02 -0.20 0.00 -0.37 0.00 0.00 57.07 56.44 1lui s TYR 64 Cb -0.20 -2.56 -0.08 0.00 -0.40 0.00 0.00 41.96 38.72 1lui s TYR 64 CO -0.06 -0.35 0.73 -1.58 -1.57 0.00 0.00 175.55 172.72 1lui s HIS 65 N 1.90 3.63 -0.52 2.71 2.46 -1.26 0.59 115.29 124.79 1lui s HIS 65 Ca 0.10 1.39 -0.21 0.00 0.47 0.00 0.00 55.06 56.81 1lui s HIS 65 Cb -0.17 -2.62 0.05 0.00 -0.13 0.00 0.00 32.58 29.71 1lui s HIS 65 CO 0.11 0.31 0.76 0.42 -2.47 0.00 0.00 174.74 173.87 1lui s ILE 66 N -1.56 4.67 0.54 0.89 -1.09 0.42 -4.36 121.20 120.70 1lui s ILE 66 Ca 0.44 -0.16 -0.20 0.00 -2.23 0.00 0.00 60.65 58.50 1lui s ILE 66 Cb -0.16 -4.40 -0.05 0.00 -1.58 0.00 0.00 42.46 36.26 1lui s ILE 66 CO 0.21 -0.93 1.17 -0.75 -1.23 0.00 0.00 174.94 173.41 1lui s LYS 67 N 3.19 3.32 -0.07 2.79 2.47 2.70 -3.98 119.74 130.15 1lui s LYS 67 Ca 0.22 1.74 0.03 0.00 -1.56 0.00 0.00 55.97 56.40 1lui s LYS 67 Cb -0.16 -2.08 -0.02 0.00 -1.46 0.00 0.00 37.83 34.10 1lui s LYS 67 CO 0.15 -0.91 -0.16 -1.21 0.16 0.00 0.00 175.35 173.39 1lui s GLU 68 N -3.15 2.72 0.00 4.03 8.01 -1.12 0.28 118.70 129.47 1lui s GLU 68 Ca 0.72 -0.73 0.00 0.00 0.01 0.00 0.00 54.97 54.97 1lui s GLU 68 Cb -0.28 -2.41 0.00 0.00 -4.31 0.00 0.00 34.13 27.14 1lui s GLU 68 CO 0.31 0.49 0.00 -2.37 0.01 0.00 0.00 175.26 173.70 1lui n THR 69 N 2.70 0.00 -2.53 3.63 5.66 1.90 -4.87 114.28 120.77 1lui n THR 69 Ca -0.17 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.40 1lui n THR 69 Cb 0.52 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.30 1lui n THR 69 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1lui n ASN 70 N -1.11 4.86 -4.70 1.09 3.02 -1.20 -4.27 115.26 112.95 1lui n ASN 70 Ca 0.00 -2.92 -0.43 0.00 -0.03 0.00 0.00 54.58 51.19 1lui n ASN 70 Cb 0.00 -1.71 -0.02 0.00 -0.61 0.00 0.00 39.78 37.44 1lui n ASN 70 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1lui n ASP 71 N 7.63 3.10 -1.26 6.41 5.75 0.26 -4.38 116.55 134.06 1lui n ASP 71 Ca 0.47 1.16 -0.03 0.00 -0.01 0.00 0.00 54.79 56.38 1lui n ASP 71 Cb 0.44 -1.49 -0.00 0.00 -1.03 0.00 0.00 41.12 39.04 1lui n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1lui n SER 72 N 1.82 -0.72 -4.63 -1.12 3.41 -1.26 -4.33 113.62 106.78 1lui n SER 72 Ca 0.09 -1.42 -0.36 0.00 -0.26 0.00 0.00 58.87 56.92 1lui n SER 72 Cb 0.34 0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 64.46 1lui n SER 72 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1lui s PRO 73 N 0.03 4.00 0.00 4.33 0.04 -1.26 -5.16 135.00 136.97 1lui s PRO 73 Ca 0.02 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1lui s PRO 73 Cb 0.09 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1lui s PRO 73 CO -0.03 0.07 0.00 0.36 0.04 0.00 0.00 177.00 177.45 1lui n LYS 74 N 4.21 0.00 0.04 4.56 -0.00 -1.26 -4.78 118.16 120.93 1lui n LYS 74 Ca -0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.16 1lui n LYS 74 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.55 1lui n LYS 74 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1lui n ARG 75 N 0.00 0.00 -3.34 -1.58 1.85 0.23 0.91 116.66 114.73 1lui n ARG 75 Ca 0.00 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.49 1lui n ARG 75 Cb 0.00 -0.35 -0.06 0.00 -1.05 0.00 0.00 32.46 31.00 1lui n ARG 75 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1lui s TYR 76 N -2.00 3.66 0.10 2.89 2.02 0.61 0.51 117.35 125.14 1lui s TYR 76 Ca 0.00 1.12 -0.26 0.00 -0.37 0.00 0.00 57.07 57.56 1lui s TYR 76 Cb 0.00 -2.40 0.09 0.00 -0.40 0.00 0.00 41.96 39.24 1lui s TYR 76 CO 0.00 0.47 1.11 1.52 -1.57 0.00 0.00 175.55 177.07 1lui s TYR 77 N -1.38 -0.02 0.04 2.71 1.13 0.78 0.38 117.35 121.00 1lui s TYR 77 Ca 0.36 -0.25 -0.00 0.00 -1.41 0.00 0.00 57.07 55.76 1lui s TYR 77 Cb -0.16 0.63 -0.00 0.00 -1.10 0.00 0.00 41.96 41.33 1lui s TYR 77 CO 0.19 -0.66 -0.01 1.33 -2.51 0.00 0.00 175.55 173.89 1lui n VAL 78 N -0.61 0.61 -1.96 -3.49 0.24 -1.26 0.62 118.33 112.47 1lui n VAL 78 Ca -0.04 0.21 -0.38 0.00 -2.04 0.00 0.00 64.34 62.08 1lui n VAL 78 Cb 0.60 -1.31 0.02 0.00 -1.47 0.00 0.00 33.84 31.68 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 -3.01 6.46 -1.68 2.33 0.00 -1.26 -4.79 120.51 118.56 1lui n ALA 79 Ca -0.00 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.42 1lui n ALA 79 Cb 0.01 -2.08 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 -0.15 -2.11 0.00 0.00 1.02 -1.26 -4.62 120.64 113.51 1lui n GLU 80 Ca 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.66 1lui n GLU 80 Cb 0.29 -2.96 0.00 0.00 -0.02 0.00 0.00 31.44 28.75 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 -1.53 0.00 -4.06 3.49 5.02 -1.26 -4.95 118.16 114.86 1lui n LYS 81 Ca 0.00 0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 56.04 1lui n LYS 81 Cb 0.29 -0.40 -0.15 0.00 -0.02 0.00 0.00 35.03 34.75 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 -0.51 3.21 0.15 2.13 1.51 -1.26 -5.07 117.35 117.51 1lui s TYR 82 Ca 0.00 -2.29 -0.06 0.00 -1.01 0.00 0.00 57.07 53.71 1lui s TYR 82 Cb 0.00 -1.91 -0.06 0.00 -0.11 0.00 0.00 41.96 39.88 1lui s TYR 82 CO 0.00 -0.87 0.41 0.14 -1.11 0.00 0.00 175.55 174.12 1lui s VAL 83 N 1.12 5.11 0.13 0.71 -7.23 -1.23 -4.24 120.40 114.77 1lui s VAL 83 Ca -0.09 0.18 0.01 0.00 -1.81 0.00 0.00 61.98 60.27 1lui s VAL 83 Cb -0.20 -3.62 -0.00 0.00 0.56 0.00 0.00 36.38 33.11 1lui s VAL 83 CO -0.05 0.06 0.15 0.49 -0.31 0.00 0.00 175.10 175.43 1lui n PHE 84 N 0.18 -0.55 0.93 2.82 3.01 1.20 -4.53 117.46 120.51 1lui n PHE 84 Ca -0.03 -0.99 0.11 0.00 1.01 0.00 0.00 57.45 57.55 1lui n PHE 84 Cb 0.52 0.16 0.04 0.00 -0.01 0.00 0.00 39.48 40.19 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 -2.23 2.36 -3.61 4.37 2.03 -1.26 0.23 116.55 118.43 1lui n ASP 85 Ca 0.02 -1.68 -0.12 0.00 0.52 0.00 0.00 54.79 53.52 1lui n ASP 85 Cb 0.23 0.25 -0.07 0.00 -0.72 0.00 0.00 41.12 40.82 1lui n ASP 85 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 1lui s SER 86 N -2.11 -0.58 0.33 1.67 0.15 -1.26 -4.90 113.70 107.01 1lui s SER 86 Ca 0.21 1.01 0.07 0.00 0.70 0.00 0.00 55.95 57.94 1lui s SER 86 Cb 0.18 0.99 0.74 0.00 -1.71 0.00 0.00 66.02 66.22 1lui s SER 86 CO 0.41 -0.27 1.85 0.40 1.20 0.00 0.00 173.24 176.84 1lui h ILE 87 N 3.55 0.85 -0.46 6.45 5.03 -1.92 0.59 117.51 131.60 1lui h ILE 87 Ca -0.27 -0.27 0.09 0.00 -0.12 0.00 0.00 64.86 64.29 1lui h ILE 87 Cb 1.16 0.00 -0.08 0.00 -3.03 0.00 0.00 36.82 34.88 1lui h ILE 87 CO 0.14 0.14 -0.01 -0.65 -0.68 0.00 0.00 178.15 177.10 1lui h PRO 88 N 0.78 0.10 -0.14 2.37 0.11 -1.96 8.82 132.00 142.09 1lui h PRO 88 Ca 0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.50 1lui h PRO 88 Cb 0.67 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.76 1lui h PRO 88 CO -0.23 0.07 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.34 1lui h LEU 89 N 0.11 0.43 -1.47 2.35 4.07 -1.62 2.37 115.31 121.53 1lui h LEU 89 Ca 0.23 -0.53 0.11 0.00 0.08 0.00 0.00 57.88 57.76 1lui h LEU 89 Cb 0.34 -0.12 -0.05 0.00 1.08 0.00 0.00 40.66 41.91 1lui h LEU 89 CO -0.39 0.88 0.48 0.25 -1.08 0.00 0.00 178.44 178.58 1lui h LEU 90 N -0.01 0.52 0.00 1.67 6.46 0.18 1.27 115.31 125.40 1lui h LEU 90 Ca 0.01 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 1lui h LEU 90 Cb 0.79 -0.09 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1lui h LEU 90 CO 0.05 0.31 -0.00 0.40 -0.62 0.00 0.00 178.44 178.58 1lui h ILE 91 N 0.58 1.73 -0.96 4.05 1.08 1.94 -2.76 117.51 123.15 1lui h ILE 91 Ca 0.34 -2.24 0.17 0.00 -0.39 0.00 0.00 64.86 62.74 1lui h ILE 91 Cb 0.55 3.24 -0.09 0.00 -3.07 0.00 0.00 36.82 37.45 1lui h ILE 91 CO -0.12 0.58 0.61 1.56 -0.69 0.00 0.00 178.15 180.08 1lui h GLN 92 N -0.97 0.70 -0.59 2.37 7.50 0.49 2.79 115.11 127.40 1lui h GLN 92 Ca -0.00 -0.04 -0.08 0.00 0.50 0.00 0.00 58.65 59.03 1lui h GLN 92 Cb 0.94 -0.16 -0.02 0.00 0.05 0.00 0.00 27.48 28.29 1lui h GLN 92 CO 0.00 0.46 0.06 0.10 -1.50 0.00 0.00 178.83 177.95 1lui h TYR 93 N 0.72 1.07 -0.01 2.96 -0.00 0.15 -2.06 116.97 119.80 1lui h TYR 93 Ca 0.52 -0.16 -0.20 0.00 0.00 0.00 0.00 58.73 58.88 1lui h TYR 93 Cb 0.86 -0.29 0.02 0.00 0.00 0.00 0.00 36.73 37.31 1lui h TYR 93 CO -0.00 0.94 -0.79 0.45 -0.00 0.00 0.00 178.16 178.76 1lui h HIS 94 N 0.89 0.82 -0.60 0.10 3.86 -0.07 0.00 115.15 120.16 1lui h HIS 94 Ca 0.17 -0.44 0.12 0.00 -1.16 0.00 0.00 60.37 59.07 1lui h HIS 94 Cb 0.47 -0.10 -0.11 0.00 1.06 0.00 0.00 27.41 28.74 1lui h HIS 94 CO 0.03 1.26 -0.07 1.96 0.86 0.00 0.00 177.93 181.97 1lui h GLN 95 N 0.14 0.05 0.00 2.45 1.08 0.48 0.49 115.11 119.80 1lui h GLN 95 Ca -0.09 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1lui h GLN 95 Cb 1.47 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.89 1lui h GLN 95 CO 0.16 0.04 0.00 0.66 -0.95 0.00 0.00 178.83 178.73 1lui n TYR 96 N -5.34 0.00 0.04 2.96 4.02 -0.79 -4.58 117.16 113.47 1lui n TYR 96 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 57.90 57.85 1lui n TYR 96 Cb 0.33 0.00 -0.05 0.00 -0.02 0.00 0.00 39.34 39.60 1lui n TYR 96 CO 0.00 0.00 0.00 -0.91 -1.01 0.00 0.00 176.86 174.94 1lui h ASN 97 N 0.00 -1.08 -3.23 7.72 2.35 -1.21 -3.49 115.58 116.65 1lui h ASN 97 Ca 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1lui h ASN 97 Cb 0.00 0.44 -0.01 0.00 0.05 0.00 0.00 38.32 38.80 1lui h ASN 97 CO 0.00 -0.40 -0.13 0.61 -1.65 0.00 0.00 177.43 175.85 1lui n GLY 98 N -1.43 -3.07 0.00 2.83 0.00 0.14 -4.96 105.19 98.71 1lui n GLY 98 Ca -0.05 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1lui n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lui n GLY 99 N 0.12 -0.24 2.49 -0.02 0.00 -1.26 -4.77 105.19 101.50 1lui n GLY 99 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.87 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 2.00 0.00 -0.02 0.00 -1.26 -4.89 105.19 101.02 1lui n GLY 100 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.27 0.00 -0.22 0.99 7.99 -1.26 -4.97 117.00 119.80 1lui n LEU 101 Ca 0.14 0.00 0.18 0.00 -0.01 0.00 0.00 56.01 56.32 1lui n LEU 101 Cb 0.69 0.00 0.51 0.00 -0.11 0.00 0.00 43.42 44.52 1lui n LEU 101 CO 0.12 0.00 1.22 -0.37 -1.51 0.00 0.00 177.39 176.85 1lui h VAL 102 N 0.00 0.71 0.00 4.08 -1.51 -2.00 -3.37 116.25 114.15 1lui h VAL 102 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 66.70 65.33 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 0.07 0.00 1.07 -1.23 0.00 0.00 177.57 177.48 1lui n THR 103 N -4.50 0.00 -1.05 7.19 5.66 -1.26 -5.02 114.28 115.30 1lui n THR 103 Ca 0.18 0.00 0.12 0.00 -3.05 0.00 0.00 64.05 61.30 1lui n THR 103 Cb 0.66 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.40 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 -1.97 -0.19 1.09 1.85 -1.26 -3.18 116.66 112.99 1lui n ARG 104 Ca 0.00 1.41 -0.06 0.00 -1.00 0.00 0.00 57.85 58.20 1lui n ARG 104 Cb 0.00 -2.49 -0.01 0.00 -1.05 0.00 0.00 32.46 28.92 1lui n ARG 104 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1lui n LEU 105 N -3.27 1.20 -0.29 2.89 7.99 -1.04 -4.60 117.00 119.87 1lui n LEU 105 Ca -0.01 -1.46 0.07 0.00 -0.01 0.00 0.00 56.01 54.59 1lui n LEU 105 Cb 0.62 -0.64 0.18 0.00 -0.11 0.00 0.00 43.42 43.46 1lui n LEU 105 CO 0.01 -0.83 0.78 0.03 -1.51 0.00 0.00 177.39 175.88 1lui h ARG 106 N 7.65 0.05 -0.85 3.23 3.08 -1.45 -3.33 114.38 122.77 1lui h ARG 106 Ca 0.12 -0.00 0.15 0.00 0.07 0.00 0.00 59.98 60.32 1lui h ARG 106 Cb 0.06 -0.01 -0.21 0.00 0.08 0.00 0.00 29.97 29.88 1lui h ARG 106 CO 1.13 0.03 -0.09 -0.47 -1.07 0.00 0.00 179.97 179.51 1lui s TYR 107 N -6.12 -1.16 -0.07 3.04 5.04 0.68 -4.94 117.35 113.82 1lui s TYR 107 Ca -0.14 1.33 -0.30 0.00 -2.44 0.00 0.00 57.07 55.53 1lui s TYR 107 Cb 0.25 0.45 -0.08 0.00 0.35 0.00 0.00 41.96 42.92 1lui s TYR 107 CO 0.76 -0.62 2.06 -0.35 -1.34 0.00 0.00 175.55 176.06 1lui n PRO 108 N 5.41 2.49 -3.70 4.97 -0.04 -1.24 0.40 135.00 143.28 1lui n PRO 108 Ca -0.04 0.85 -0.37 0.00 -0.04 0.00 0.00 63.50 63.89 1lui n PRO 108 Cb 0.52 -3.06 -0.11 0.00 -0.04 0.00 0.00 33.50 30.81 1lui n PRO 108 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lui s VAL 109 N 5.85 5.02 -0.55 0.52 0.11 3.92 -4.02 120.40 131.25 1lui s VAL 109 Ca 0.94 0.07 0.04 0.00 -2.93 0.00 0.00 61.98 60.09 1lui s VAL 109 Cb -0.42 -3.35 0.14 0.00 -1.53 0.00 0.00 36.38 31.21 1lui s VAL 109 CO 0.40 0.32 0.31 0.00 -3.33 0.00 0.00 175.10 172.81