#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lum n ASN 5 N 0.00 -1.30 0.00 1.20 4.13 -1.26 -4.94 115.26 113.09 1lum n ASN 5 Ca 0.00 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1lum n ASN 5 Cb 0.00 -0.57 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 1lum n ASN 5 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1lum n LEU 6 N 0.00 0.00 -0.71 3.41 4.77 -1.26 -5.01 117.00 118.19 1lum n LEU 6 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 1lum n LEU 6 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1lum n LEU 6 CO 0.23 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.45 1lum n GLU 7 N -0.81 0.00 0.00 3.23 0.28 -1.26 -4.35 120.64 117.73 1lum n GLU 7 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1lum n GLU 7 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1lum n GLU 7 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1lum n THR 8 N 0.25 0.00 -2.76 3.84 5.66 -1.26 -5.10 114.28 114.90 1lum n THR 8 Ca 0.00 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.58 1lum n THR 8 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1lum n THR 8 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1lum s TYR 9 N 0.00 3.55 0.64 1.09 2.02 -1.26 -4.87 117.35 118.52 1lum s TYR 9 Ca 0.00 1.54 0.15 0.00 -0.37 0.00 0.00 57.07 58.38 1lum s TYR 9 Cb 0.00 -3.10 0.58 0.00 -0.40 0.00 0.00 41.96 39.05 1lum s TYR 9 CO 0.00 -0.13 1.25 1.05 -1.57 0.00 0.00 175.55 176.15 1lum h GLU 10 N 7.00 0.00 0.07 -0.62 4.11 -1.92 1.06 114.58 124.28 1lum h GLU 10 Ca -0.35 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 58.71 1lum h GLU 10 Cb 1.17 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 1lum h GLU 10 CO 0.81 0.00 -2.20 -2.67 0.07 0.00 0.00 179.01 175.02 1lum n TRP 11 N -2.90 0.72 -2.02 2.06 4.27 -1.25 0.62 117.44 118.94 1lum n TRP 11 Ca 0.10 0.15 -0.40 0.00 -3.89 0.00 0.00 57.50 53.46 1lum n TRP 11 Cb 1.14 -1.09 -0.01 0.00 -1.36 0.00 0.00 31.31 29.99 1lum n TRP 11 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 1lum s TYR 12 N -2.54 2.86 -0.31 -2.67 5.04 0.36 0.51 117.35 120.60 1lum s TYR 12 Ca -0.28 1.36 -0.01 0.00 -2.44 0.00 0.00 57.07 55.70 1lum s TYR 12 Cb 0.08 -3.76 0.13 0.00 0.35 0.00 0.00 41.96 38.76 1lum s TYR 12 CO 0.70 -2.20 0.25 -0.80 -1.34 0.00 0.00 175.55 172.15 1lum s ASN 13 N -0.49 2.34 0.00 4.32 -0.87 2.31 -4.57 114.94 117.97 1lum s ASN 13 Ca 0.52 -1.28 0.00 0.00 -1.57 0.00 0.00 52.86 50.53 1lum s ASN 13 Cb -0.41 0.12 0.00 0.00 -0.02 0.00 0.00 41.25 40.95 1lum s ASN 13 CO 0.54 -0.37 0.00 2.29 -2.57 0.00 0.00 177.10 176.99 1lum n LYS 14 N 4.91 0.00 0.00 -0.60 2.85 -1.26 -2.39 118.16 121.67 1lum n LYS 14 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 1lum n LYS 14 Cb 0.43 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.81 1lum n LYS 14 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 177.40 176.22 1lum n SER 15 N 0.00 0.00 -4.80 -5.58 3.41 -1.26 -3.08 113.62 102.31 1lum n SER 15 Ca 0.00 -0.93 -0.31 0.00 -0.26 0.00 0.00 58.87 57.37 1lum n SER 15 Cb 0.00 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 64.02 1lum n SER 15 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1lum s ILE 16 N 1.91 3.67 0.36 -1.33 1.01 -1.00 -5.05 121.20 120.76 1lum s ILE 16 Ca 0.00 0.54 0.05 0.00 0.00 0.00 0.00 60.65 61.24 1lum s ILE 16 Cb 0.00 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 39.22 1lum s ILE 16 CO 0.00 -0.71 0.05 -0.55 0.00 0.00 0.00 174.94 173.73 1lum s SER 17 N -3.65 2.86 0.40 3.58 0.15 -1.26 -4.80 113.70 110.98 1lum s SER 17 Ca 0.59 -1.40 0.13 0.00 0.70 0.00 0.00 55.95 55.97 1lum s SER 17 Cb -0.15 -0.12 0.82 0.00 -1.71 0.00 0.00 66.02 64.86 1lum s SER 17 CO 0.55 -0.59 1.89 0.08 1.20 0.00 0.00 173.24 176.37 1lum h ARG 18 N 1.98 0.01 -0.06 5.44 0.11 -2.00 -2.55 114.38 117.31 1lum h ARG 18 Ca -0.41 -0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.56 1lum h ARG 18 Cb 1.25 -0.00 0.01 0.00 1.11 0.00 0.00 29.97 32.33 1lum h ARG 18 CO 0.72 0.31 -0.36 -0.44 0.10 0.00 0.00 179.97 180.30 1lum h ASP 19 N 0.01 0.42 0.10 0.08 3.32 -2.00 -3.19 116.42 115.16 1lum h ASP 19 Ca -0.00 -0.67 -0.00 0.00 0.02 0.00 0.00 57.03 56.38 1lum h ASP 19 Cb 0.53 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1lum h ASP 19 CO 0.04 1.02 -0.05 0.11 -1.72 0.00 0.00 179.24 178.64 1lum h LYS 20 N -0.15 -0.13 -0.39 3.56 6.56 -1.95 -2.29 116.57 121.78 1lum h LYS 20 Ca -0.03 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.65 1lum h LYS 20 Cb 1.02 0.03 -0.08 0.00 -0.57 0.00 0.00 32.23 32.63 1lum h LYS 20 CO 0.07 0.25 -0.17 0.00 -2.06 0.00 0.00 179.45 177.54 1lum h ALA 21 N 0.30 0.13 -0.49 3.86 0.00 -1.61 1.29 119.26 122.74 1lum h ALA 21 Ca -0.01 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1lum h ALA 21 Cb 0.44 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 1lum h ALA 21 CO 0.02 -0.54 0.18 0.93 0.00 0.00 0.00 179.25 179.85 1lum h GLU 22 N -0.10 0.36 0.12 0.00 5.08 -1.59 1.93 114.58 120.37 1lum h GLU 22 Ca 0.19 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 1lum h GLU 22 Cb 0.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1lum h GLU 22 CO -0.46 0.24 -0.12 1.57 -1.00 0.00 0.00 179.01 179.24 1lum h LYS 23 N 0.37 -0.25 -0.49 2.33 2.10 -0.26 1.24 116.57 121.60 1lum h LYS 23 Ca 0.23 0.02 -0.04 0.00 -2.00 0.00 0.00 60.65 58.86 1lum h LYS 23 Cb 0.23 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.60 1lum h LYS 23 CO -0.23 -0.17 0.15 1.37 -2.00 0.00 0.00 179.45 178.57 1lum h LEU 24 N -0.26 0.67 -0.06 7.07 8.10 0.23 -0.67 115.31 130.38 1lum h LEU 24 Ca 0.00 -0.10 -0.02 0.00 0.11 0.00 0.00 57.88 57.88 1lum h LEU 24 Cb 0.25 -0.17 -0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1lum h LEU 24 CO -0.03 0.64 -0.02 -0.07 -4.11 0.00 0.00 178.44 174.85 1lum h LEU 25 N 0.71 0.13 -2.02 0.17 3.38 0.38 -2.70 115.31 115.36 1lum h LEU 25 Ca 0.16 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.79 1lum h LEU 25 Cb 0.22 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1lum h LEU 25 CO -0.01 0.50 0.14 -0.07 0.09 0.00 0.00 178.44 179.08 1lum h LEU 26 N -0.23 0.00 -0.42 1.67 4.07 0.18 -0.55 115.31 120.04 1lum h LEU 26 Ca 0.02 0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.05 1lum h LEU 26 Cb 0.44 0.00 -0.07 0.00 1.08 0.00 0.00 40.66 42.11 1lum h LEU 26 CO 0.01 0.00 -0.02 -0.78 -1.08 0.00 0.00 178.44 176.56 1lum h ASP 27 N 0.00 -0.22 0.00 -0.43 1.82 -0.78 -3.19 116.42 113.62 1lum h ASP 27 Ca 0.09 0.10 -0.05 0.00 -0.39 0.00 0.00 57.03 56.78 1lum h ASP 27 Cb 0.36 0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.55 1lum h ASP 27 CO -0.00 -0.07 -0.35 0.00 -1.61 0.00 0.00 179.24 177.21 1lum h THR 28 N 0.08 0.84 -0.45 2.25 1.03 -1.43 -3.49 112.91 111.74 1lum h THR 28 Ca 0.21 -1.74 0.00 0.00 -0.01 0.00 0.00 66.41 64.87 1lum h THR 28 Cb 0.30 1.69 0.00 0.00 -1.07 0.00 0.00 68.15 69.07 1lum h THR 28 CO -0.36 0.28 0.00 0.61 -0.01 0.00 0.00 175.52 176.04 1lum n GLY 29 N 1.62 1.00 3.67 2.99 0.00 -0.27 -5.01 105.19 109.19 1lum n GLY 29 Ca -0.12 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 1lum n GLY 29 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lum s LYS 30 N -2.71 4.21 -0.43 1.61 -0.14 -1.26 -4.74 119.74 116.28 1lum s LYS 30 Ca 0.00 2.07 -0.28 0.00 -1.36 0.00 0.00 55.97 56.40 1lum s LYS 30 Cb 0.00 -3.81 -0.02 0.00 -1.68 0.00 0.00 37.83 32.32 1lum s LYS 30 CO 0.00 -0.75 1.85 -2.00 -0.76 0.00 0.00 175.35 173.69 1lum s GLU 31 N 3.42 3.04 0.00 1.68 2.12 -1.26 -1.33 118.70 126.37 1lum s GLU 31 Ca 0.68 1.16 0.00 0.00 0.36 0.00 0.00 54.97 57.17 1lum s GLU 31 Cb -0.32 -4.28 0.00 0.00 0.26 0.00 0.00 34.13 29.80 1lum s GLU 31 CO 0.27 -2.21 0.00 0.41 -0.54 0.00 0.00 175.26 173.19 1lum n GLY 32 N 5.54 0.82 3.77 -1.50 0.00 -0.08 -4.62 105.19 109.12 1lum n GLY 32 Ca 0.23 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 45.21 1lum n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lum s ALA 33 N -2.37 3.36 -0.03 4.61 0.00 1.38 -0.30 121.76 128.40 1lum s ALA 33 Ca 0.00 1.48 0.03 0.00 0.00 0.00 0.00 51.96 53.47 1lum s ALA 33 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1lum s ALA 33 CO 0.00 -1.11 -0.12 0.12 0.00 0.00 0.00 175.76 174.66 1lum s PHE 34 N -1.18 1.21 0.14 0.00 5.36 0.66 0.22 117.98 124.40 1lum s PHE 34 Ca 0.58 -0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 56.16 1lum s PHE 34 Cb -0.44 -0.85 -0.02 0.00 -0.34 0.00 0.00 43.02 41.37 1lum s PHE 34 CO 0.58 -0.13 0.19 1.41 -1.46 0.00 0.00 175.22 175.80 1lum s MET 35 N 0.18 1.03 0.06 10.12 -2.45 1.73 0.70 119.30 130.67 1lum s MET 35 Ca -0.04 -1.24 0.04 0.00 -1.25 0.00 0.00 55.69 53.20 1lum s MET 35 Cb -0.10 0.32 -0.03 0.00 1.25 0.00 0.00 34.83 36.27 1lum s MET 35 CO 0.01 -0.34 -0.12 0.08 1.05 0.00 0.00 175.02 175.70 1lum s VAL 36 N -3.98 0.94 -0.11 10.11 1.01 1.95 0.60 120.40 130.91 1lum s VAL 36 Ca 0.18 -1.24 -0.05 0.00 0.00 0.00 0.00 61.98 60.87 1lum s VAL 36 Cb 0.05 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.55 1lum s VAL 36 CO -0.01 -0.28 0.23 0.00 0.00 0.00 0.00 175.10 175.05 1lum s ARG 37 N -1.71 0.15 0.44 2.72 1.70 1.13 0.57 118.95 123.96 1lum s ARG 37 Ca -0.04 0.60 -0.24 0.00 -0.47 0.00 0.00 55.73 55.58 1lum s ARG 37 Cb -0.10 -0.11 -0.10 0.00 -0.57 0.00 0.00 34.95 34.08 1lum s ARG 37 CO 0.02 -0.23 1.10 -3.47 -1.08 0.00 0.00 175.30 171.65 1lum n ASP 38 N 4.77 1.69 0.00 -2.89 -0.08 -1.18 0.31 116.55 119.18 1lum n ASP 38 Ca -0.16 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.16 1lum n ASP 38 Cb 0.51 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.56 1lum n ASP 38 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1lum n SER 39 N 0.24 1.06 0.00 1.67 2.88 -1.25 -4.68 113.62 113.55 1lum n SER 39 Ca 0.09 -0.21 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 1lum n SER 39 Cb 0.40 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1lum n SER 39 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1lum n ARG 40 N -0.73 0.00 0.00 -1.46 5.12 -1.26 -4.97 116.66 113.36 1lum n ARG 40 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1lum n ARG 40 Cb 0.00 -3.13 0.00 0.00 -1.16 0.00 0.00 32.46 28.17 1lum n ARG 40 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1lum n THR 41 N -2.00 0.00 0.00 0.55 5.66 -1.26 -4.14 114.28 113.08 1lum n THR 41 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1lum n THR 41 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 1lum n THR 41 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1lum n PRO 42 N -0.45 0.00 0.00 1.09 -0.04 -1.26 -3.99 135.00 130.34 1lum n PRO 42 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1lum n PRO 42 Cb 0.00 -0.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.57 1lum n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1lum n GLY 43 N -0.05 1.54 0.00 0.55 0.00 -1.26 -4.93 105.19 101.03 1lum n GLY 43 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lum n GLY 43 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1lum n THR 44 N -0.72 0.00 -4.21 2.61 5.66 -1.26 -5.02 114.28 111.35 1lum n THR 44 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 1lum n THR 44 Cb 0.00 -0.55 -0.10 0.00 -1.55 0.00 0.00 70.33 68.13 1lum n THR 44 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1lum s TYR 45 N 0.17 1.08 0.21 1.09 1.51 -1.26 -3.91 117.35 116.24 1lum s TYR 45 Ca 0.00 -0.87 -0.05 0.00 -1.01 0.00 0.00 57.07 55.14 1lum s TYR 45 Cb 0.00 -0.59 -0.06 0.00 -0.11 0.00 0.00 41.96 41.21 1lum s TYR 45 CO 0.00 -0.07 0.47 0.99 -1.11 0.00 0.00 175.55 175.83 1lum s THR 46 N -3.51 5.07 -0.22 -0.71 2.01 0.91 0.14 115.64 119.32 1lum s THR 46 Ca 0.15 0.09 0.02 0.00 0.31 0.00 0.00 61.69 62.25 1lum s THR 46 Cb 0.04 -3.67 0.05 0.00 0.01 0.00 0.00 72.50 68.93 1lum s THR 46 CO -0.02 -0.12 -0.11 -0.69 -0.69 0.00 0.00 174.62 172.99 1lum s VAL 47 N -1.85 1.90 -0.45 3.82 1.01 2.40 0.36 120.40 127.59 1lum s VAL 47 Ca 0.43 -1.27 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1lum s VAL 47 Cb -0.11 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.32 1lum s VAL 47 CO 0.26 0.11 0.87 -0.44 0.00 0.00 0.00 175.10 175.90 1lum s SER 48 N 1.26 6.48 -0.12 3.32 0.01 2.52 0.53 113.70 127.70 1lum s SER 48 Ca -0.04 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.28 1lum s SER 48 Cb -0.18 -2.42 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1lum s SER 48 CO -0.07 -0.98 -0.10 0.68 0.41 0.00 0.00 173.24 173.18 1lum s VAL 49 N 3.54 3.37 -0.10 3.43 -7.23 0.47 0.48 120.40 124.36 1lum s VAL 49 Ca 0.34 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.97 1lum s VAL 49 Cb -0.11 -2.42 0.02 0.00 0.56 0.00 0.00 36.38 34.42 1lum s VAL 49 CO 0.24 0.53 -0.14 0.12 -0.31 0.00 0.00 175.10 175.54 1lum s PHE 50 N 0.12 1.83 -0.14 2.82 2.19 0.61 0.21 117.98 125.62 1lum s PHE 50 Ca -0.04 -0.85 -0.06 0.00 0.33 0.00 0.00 56.93 56.31 1lum s PHE 50 Cb -0.14 -1.35 -0.04 0.00 -1.31 0.00 0.00 43.02 40.18 1lum s PHE 50 CO 0.04 -0.45 0.09 0.99 1.83 0.00 0.00 175.22 177.72 1lum s THR 51 N 1.04 5.11 0.25 0.12 2.01 1.39 0.41 115.64 125.97 1lum s THR 51 Ca -0.06 0.07 -0.07 0.00 0.31 0.00 0.00 61.69 61.94 1lum s THR 51 Cb -0.15 -3.24 -0.06 0.00 0.01 0.00 0.00 72.50 69.06 1lum s THR 51 CO -0.02 0.56 0.53 -0.54 -0.69 0.00 0.00 174.62 174.47 1lum s LYS 52 N -0.54 3.70 0.00 4.92 -0.14 -1.25 -0.97 119.74 125.47 1lum s LYS 52 Ca 0.11 0.11 0.00 0.00 -1.36 0.00 0.00 55.97 54.84 1lum s LYS 52 Cb -0.12 -2.67 0.00 0.00 -1.68 0.00 0.00 37.83 33.37 1lum s LYS 52 CO 0.02 0.28 0.00 0.00 -0.76 0.00 0.00 175.35 174.89 1lum n ALA 53 N -0.50 0.00 -1.00 5.17 0.00 -1.26 -4.22 120.51 118.71 1lum n ALA 53 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1lum n ALA 53 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 1lum n ALA 53 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1lum n ILE 54 N -0.52 0.00 -1.26 0.00 2.08 -1.26 -4.06 119.36 114.34 1lum n ILE 54 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1lum n ILE 54 Cb 0.00 -0.09 0.00 0.00 -0.75 0.00 0.00 39.64 38.80 1lum n ILE 54 CO 0.00 0.00 0.00 2.30 0.56 0.00 0.00 176.55 179.41 1lum n ILE 55 N 0.00 0.00 0.97 1.39 -0.00 -1.26 -4.57 119.36 115.89 1lum n ILE 55 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 1lum n ILE 55 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.64 39.65 1lum n ILE 55 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.55 175.01 1lum n SER 56 N 0.00 1.09 0.00 7.28 3.41 -1.26 -4.65 113.62 119.49 1lum n SER 56 Ca 0.00 -2.02 0.00 0.00 -0.26 0.00 0.00 58.87 56.59 1lum n SER 56 Cb 0.10 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 1lum n SER 56 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1lum n GLU 57 N 0.01 0.00 0.02 4.33 4.07 -1.26 -5.07 120.64 122.74 1lum n GLU 57 Ca 0.01 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1lum n GLU 57 Cb 0.27 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.65 1lum n GLU 57 CO 0.00 0.00 0.00 0.09 -0.06 0.00 0.00 177.13 177.16 1lum n ASN 58 N 0.00 0.35 -4.61 4.31 4.13 -1.26 -5.00 115.26 113.17 1lum n ASN 58 Ca 0.00 0.07 -0.43 0.00 1.68 0.00 0.00 54.58 55.90 1lum n ASN 58 Cb 0.00 -0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.12 1lum n ASN 58 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1lum s PRO 59 N -2.00 3.87 0.09 3.52 0.04 -1.26 -4.62 135.00 134.64 1lum s PRO 59 Ca 0.00 0.73 0.02 0.00 0.04 0.00 0.00 61.00 61.79 1lum s PRO 59 Cb 0.00 -3.82 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 1lum s PRO 59 CO 0.00 -1.09 -0.08 0.00 0.04 0.00 0.00 177.00 175.87 1lum s ILE 61 N -3.03 1.71 -0.09 0.00 1.09 -1.25 0.41 121.20 120.04 1lum s ILE 61 Ca 0.07 -0.96 -0.09 0.00 -1.10 0.00 0.00 60.65 58.58 1lum s ILE 61 Cb 0.01 -1.43 0.02 0.00 -1.06 0.00 0.00 42.46 40.01 1lum s ILE 61 CO -0.03 0.46 0.25 -1.59 -0.10 0.00 0.00 174.94 173.93 1lum s LYS 62 N -0.58 0.30 -0.49 2.79 -2.85 0.57 -4.95 119.74 114.53 1lum s LYS 62 Ca 0.08 0.32 -0.16 0.00 -1.00 0.00 0.00 55.97 55.21 1lum s LYS 62 Cb -0.08 0.14 0.08 0.00 -2.06 0.00 0.00 37.83 35.91 1lum s LYS 62 CO -0.01 -0.04 0.47 -1.01 0.10 0.00 0.00 175.35 174.87 1lum s HIS 63 N 0.08 3.19 -0.18 1.78 3.76 -1.23 0.18 115.29 122.87 1lum s HIS 63 Ca -0.01 -0.89 -0.25 0.00 -0.15 0.00 0.00 55.06 53.77 1lum s HIS 63 Cb -0.02 -3.36 -0.02 0.00 1.11 0.00 0.00 32.58 30.30 1lum s HIS 63 CO 0.00 -0.90 0.80 0.71 -0.85 0.00 0.00 174.74 174.51 1lum s TYR 64 N 1.89 3.41 0.12 1.40 1.51 2.03 -4.60 117.35 123.11 1lum s TYR 64 Ca 0.07 1.20 -0.16 0.00 -1.01 0.00 0.00 57.07 57.17 1lum s TYR 64 Cb -0.24 -2.98 -0.07 0.00 -0.11 0.00 0.00 41.96 38.56 1lum s TYR 64 CO 0.07 -0.24 0.55 -1.58 -1.11 0.00 0.00 175.55 173.25 1lum s HIS 65 N 2.14 3.68 -0.55 2.71 2.46 -1.26 0.58 115.29 125.04 1lum s HIS 65 Ca 0.37 1.13 -0.24 0.00 0.47 0.00 0.00 55.06 56.79 1lum s HIS 65 Cb -0.16 -2.41 0.04 0.00 -0.13 0.00 0.00 32.58 29.92 1lum s HIS 65 CO 0.12 0.49 0.95 0.42 -2.47 0.00 0.00 174.74 174.24 1lum s ILE 66 N -1.34 4.38 0.53 0.89 -1.09 0.36 -4.06 121.20 120.86 1lum s ILE 66 Ca 0.34 0.29 -0.19 0.00 -2.23 0.00 0.00 60.65 58.87 1lum s ILE 66 Cb -0.16 -4.55 -0.07 0.00 -1.58 0.00 0.00 42.46 36.10 1lum s ILE 66 CO 0.19 -1.12 1.05 -0.75 -1.23 0.00 0.00 174.94 173.08 1lum s LYS 67 N 3.98 3.60 -0.07 2.79 2.47 2.53 -4.05 119.74 130.98 1lum s LYS 67 Ca 0.31 1.34 0.03 0.00 -1.56 0.00 0.00 55.97 56.08 1lum s LYS 67 Cb -0.12 -2.07 -0.02 0.00 -1.46 0.00 0.00 37.83 34.16 1lum s LYS 67 CO 0.19 -0.60 -0.16 -1.21 0.16 0.00 0.00 175.35 173.74 1lum s GLU 68 N -3.51 2.75 -0.28 4.03 2.02 -1.15 0.28 118.70 122.84 1lum s GLU 68 Ca 0.67 -0.73 0.01 0.00 0.02 0.00 0.00 54.97 54.94 1lum s GLU 68 Cb -0.17 -2.41 0.15 0.00 0.10 0.00 0.00 34.13 31.80 1lum s GLU 68 CO 0.26 0.47 0.37 -0.08 0.02 0.00 0.00 175.26 176.30 1lum s THR 69 N -0.34 -0.56 0.00 3.63 -1.32 1.75 -4.88 115.64 113.92 1lum s THR 69 Ca 0.03 -0.33 0.00 0.00 -1.21 0.00 0.00 61.69 60.18 1lum s THR 69 Cb -0.13 -0.97 0.00 0.00 -1.51 0.00 0.00 72.50 69.90 1lum s THR 69 CO 0.02 -0.33 0.78 0.59 -2.21 0.00 0.00 174.62 173.48 1lum n ASN 70 N 5.34 -1.57 -0.62 8.08 4.13 -1.26 -3.36 115.26 126.01 1lum n ASN 70 Ca -0.01 -1.06 0.05 0.00 1.68 0.00 0.00 54.58 55.25 1lum n ASN 70 Cb 0.48 -0.40 0.15 0.00 -1.54 0.00 0.00 39.78 38.47 1lum n ASN 70 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1lum n ASP 71 N 3.82 2.88 -0.97 6.41 8.00 -1.22 -4.98 116.55 130.49 1lum n ASP 71 Ca 0.00 -1.99 0.00 0.00 0.71 0.00 0.00 54.79 53.51 1lum n ASP 71 Cb 0.39 -0.22 0.00 0.00 -0.02 0.00 0.00 41.12 41.27 1lum n ASP 71 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1lum n SER 72 N 0.49 0.00 0.00 -2.24 3.41 -1.26 -3.93 113.62 110.08 1lum n SER 72 Ca 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 1lum n SER 72 Cb 0.42 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.37 1lum n SER 72 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1lum n PRO 73 N -0.07 0.00 -3.55 4.33 -0.04 -1.26 -5.07 135.00 129.35 1lum n PRO 73 Ca 0.00 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.32 1lum n PRO 73 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 1lum n PRO 73 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1lum n LYS 74 N 0.00 -0.86 -0.11 0.54 4.01 -1.25 -4.73 118.16 115.76 1lum n LYS 74 Ca 0.00 -0.18 -0.19 0.00 -0.51 0.00 0.00 58.31 57.44 1lum n LYS 74 Cb 0.00 -0.65 -0.07 0.00 -0.51 0.00 0.00 35.03 33.80 1lum n LYS 74 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1lum n ARG 75 N -2.31 0.55 -3.31 1.97 1.74 -0.92 -3.45 116.66 110.92 1lum n ARG 75 Ca -0.07 0.36 -0.35 0.00 -0.77 0.00 0.00 57.85 57.02 1lum n ARG 75 Cb 0.21 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 30.03 1lum n ARG 75 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1lum s TYR 76 N -2.54 3.56 0.19 -1.55 2.02 1.02 0.48 117.35 120.53 1lum s TYR 76 Ca -0.30 1.09 -0.23 0.00 -0.37 0.00 0.00 57.07 57.26 1lum s TYR 76 Cb 0.08 -2.40 0.07 0.00 -0.40 0.00 0.00 41.96 39.31 1lum s TYR 76 CO 0.45 0.36 0.99 1.52 -1.57 0.00 0.00 175.55 177.30 1lum s TYR 77 N -1.58 -0.01 -0.34 2.71 1.13 0.81 0.41 117.35 120.48 1lum s TYR 77 Ca 0.42 -0.38 0.15 0.00 -1.41 0.00 0.00 57.07 55.85 1lum s TYR 77 Cb -0.14 0.69 0.43 0.00 -1.10 0.00 0.00 41.96 41.83 1lum s TYR 77 CO 0.20 -0.94 0.99 1.33 -2.51 0.00 0.00 175.55 174.62 1lum n VAL 78 N -0.59 0.63 0.00 -3.49 0.24 -1.26 0.60 118.33 114.46 1lum n VAL 78 Ca -0.05 -2.97 0.00 0.00 -2.04 0.00 0.00 64.34 59.28 1lum n VAL 78 Cb 0.60 0.62 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 1lum n VAL 78 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1lum n ALA 79 N -0.08 0.00 -2.47 2.33 0.00 -1.26 -4.90 120.51 114.12 1lum n ALA 79 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 1lum n ALA 79 Cb 0.80 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.22 1lum n ALA 79 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1lum n GLU 80 N 0.00 -1.10 0.02 0.00 -0.58 -1.26 -4.49 120.64 113.23 1lum n GLU 80 Ca 0.00 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 1lum n GLU 80 Cb 0.00 -2.00 0.00 0.00 -0.57 0.00 0.00 31.44 28.87 1lum n GLU 80 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 1lum n LYS 81 N -1.81 0.00 -2.96 3.49 0.00 -1.26 -5.11 118.16 110.51 1lum n LYS 81 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 58.31 58.17 1lum n LYS 81 Cb 0.20 -0.21 0.02 0.00 -0.00 0.00 0.00 35.03 35.04 1lum n LYS 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1lum n TYR 82 N -2.94 -1.55 -3.60 5.58 4.02 -1.26 -5.09 117.16 112.33 1lum n TYR 82 Ca 0.00 -1.74 -0.10 0.00 -0.01 0.00 0.00 57.90 56.05 1lum n TYR 82 Cb 0.00 -0.39 -0.06 0.00 -0.02 0.00 0.00 39.34 38.88 1lum n TYR 82 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 1lum s VAL 83 N -1.98 0.00 0.13 -0.72 1.01 -1.22 -4.35 120.40 113.28 1lum s VAL 83 Ca 0.35 0.00 -0.15 0.00 0.00 0.00 0.00 61.98 62.18 1lum s VAL 83 Cb -0.03 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.38 1lum s VAL 83 CO 0.22 0.00 0.39 -0.36 0.00 0.00 0.00 175.10 175.36 1lum s PHE 84 N -0.72 -0.13 -1.33 5.22 0.40 1.37 -4.17 117.98 118.62 1lum s PHE 84 Ca -0.00 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1lum s PHE 84 Cb -0.02 0.24 0.11 0.00 0.51 0.00 0.00 43.02 43.85 1lum s PHE 84 CO -0.01 -0.72 0.84 -0.25 0.70 0.00 0.00 175.22 175.78 1lum n ASP 85 N -0.23 1.24 0.00 1.36 9.92 -1.26 0.34 116.55 127.91 1lum n ASP 85 Ca -0.15 -2.08 0.00 0.00 -0.53 0.00 0.00 54.79 52.03 1lum n ASP 85 Cb 0.63 -0.35 0.00 0.00 -0.64 0.00 0.00 41.12 40.77 1lum n ASP 85 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1lum n SER 86 N -0.02 0.00 -0.16 -2.24 2.88 -1.26 -4.89 113.62 107.92 1lum n SER 86 Ca 0.04 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.53 1lum n SER 86 Cb 0.27 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.77 1lum n SER 86 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1lum h ILE 87 N 0.24 0.96 -0.48 2.46 5.03 -1.92 1.03 117.51 124.84 1lum h ILE 87 Ca 0.00 -0.17 0.09 0.00 -0.12 0.00 0.00 64.86 64.66 1lum h ILE 87 Cb 0.00 0.43 -0.08 0.00 -3.03 0.00 0.00 36.82 34.14 1lum h ILE 87 CO 0.00 0.09 0.01 -0.65 -0.68 0.00 0.00 178.15 176.92 1lum h PRO 88 N 0.49 0.13 0.09 2.37 0.11 -1.95 8.21 132.00 141.44 1lum h PRO 88 Ca 0.21 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.31 1lum h PRO 88 Cb 0.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1lum h PRO 88 CO -0.15 0.08 -0.05 1.37 -0.21 0.00 0.00 178.00 179.05 1lum h LEU 89 N 0.13 -0.11 -1.63 2.35 -0.00 -1.82 3.04 115.31 117.27 1lum h LEU 89 Ca 0.24 -0.32 0.10 0.00 -0.00 0.00 0.00 57.88 57.90 1lum h LEU 89 Cb 0.35 0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.00 1lum h LEU 89 CO -0.39 0.27 0.40 0.25 -0.00 0.00 0.00 178.44 178.98 1lum h LEU 90 N -0.50 0.38 0.12 0.17 6.46 0.22 1.21 115.31 123.36 1lum h LEU 90 Ca -0.01 0.01 -0.23 0.00 -0.12 0.00 0.00 57.88 57.52 1lum h LEU 90 Cb 0.42 -0.07 0.02 0.00 -0.73 0.00 0.00 40.66 40.30 1lum h LEU 90 CO 0.02 0.23 -0.99 0.40 -0.62 0.00 0.00 178.44 177.48 1lum h ILE 91 N 0.42 1.39 -0.89 4.05 1.08 1.80 -2.72 117.51 122.64 1lum h ILE 91 Ca 0.28 -2.43 0.06 0.00 -0.39 0.00 0.00 64.86 62.38 1lum h ILE 91 Cb 0.54 2.89 -0.06 0.00 -3.07 0.00 0.00 36.82 37.11 1lum h ILE 91 CO -0.08 0.71 0.56 1.56 -0.69 0.00 0.00 178.15 180.22 1lum h GLN 92 N -0.04 0.99 -0.19 2.37 1.08 0.77 2.29 115.11 122.37 1lum h GLN 92 Ca -0.16 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1lum h GLN 92 Cb 1.72 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 28.92 1lum h GLN 92 CO 0.19 0.66 0.11 0.10 -0.95 0.00 0.00 178.83 178.93 1lum h TYR 93 N 1.02 0.27 -0.21 2.96 -0.00 0.14 0.76 116.97 121.91 1lum h TYR 93 Ca 0.39 -0.01 -0.02 0.00 0.00 0.00 0.00 58.73 59.09 1lum h TYR 93 Cb 0.17 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 36.81 1lum h TYR 93 CO -0.02 0.25 0.04 0.45 -0.00 0.00 0.00 178.16 178.88 1lum h HIS 94 N 0.21 0.37 -0.33 0.10 3.86 -0.88 6.06 115.15 124.53 1lum h HIS 94 Ca 0.07 -0.05 0.06 0.00 -1.16 0.00 0.00 60.37 59.29 1lum h HIS 94 Cb 0.07 -0.10 -0.06 0.00 1.06 0.00 0.00 27.41 28.38 1lum h HIS 94 CO -0.04 0.47 -0.04 1.96 0.86 0.00 0.00 177.93 181.15 1lum h GLN 95 N 0.15 0.05 -0.18 2.45 1.08 0.42 -3.07 115.11 116.01 1lum h GLN 95 Ca 0.07 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1lum h GLN 95 Cb 0.30 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.72 1lum h GLN 95 CO 0.00 0.03 0.00 2.48 -0.95 0.00 0.00 178.83 180.39 1lum n TYR 96 N -5.22 0.23 -4.22 2.96 4.11 0.26 -4.81 117.16 110.48 1lum n TYR 96 Ca 0.01 -0.26 -0.17 0.00 -0.00 0.00 0.00 57.90 57.48 1lum n TYR 96 Cb 0.18 -0.01 -0.11 0.00 -0.00 0.00 0.00 39.34 39.40 1lum n TYR 96 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 176.86 176.06 1lum s ASN 97 N -0.94 1.81 -1.18 9.48 0.01 1.96 -4.98 114.94 121.09 1lum s ASN 97 Ca 0.17 -0.81 -0.22 0.00 -0.71 0.00 0.00 52.86 51.30 1lum s ASN 97 Cb 0.10 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.68 1lum s ASN 97 CO 0.14 -0.19 1.87 -0.83 -1.51 0.00 0.00 177.10 176.58 1lum s GLY 98 N -2.45 0.58 0.91 0.66 0.00 -1.26 -4.12 107.32 101.64 1lum s GLY 98 Ca 0.08 -2.30 -0.13 0.00 0.00 0.00 0.00 44.72 42.37 1lum s GLY 98 CO 0.02 3.31 1.23 0.61 0.00 0.00 0.00 173.10 178.27 1lum n GLY 99 N 5.83 -1.08 2.85 0.20 0.00 -1.26 -4.99 105.19 106.74 1lum n GLY 99 Ca 0.45 -1.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 1lum n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lum n GLY 100 N -3.28 5.60 3.82 -0.02 0.00 -1.26 -4.40 105.19 105.64 1lum n GLY 100 Ca 0.16 -2.52 -0.32 0.00 0.00 0.00 0.00 46.02 43.34 1lum n GLY 100 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1lum s LEU 101 N -4.00 2.31 0.41 0.99 1.02 -1.26 -4.97 118.68 113.18 1lum s LEU 101 Ca 0.51 -1.59 0.27 0.00 0.02 0.00 0.00 54.13 53.34 1lum s LEU 101 Cb 0.43 -0.81 1.38 0.00 0.02 0.00 0.00 46.19 47.21 1lum s LEU 101 CO -0.38 -1.00 1.61 -0.37 0.02 0.00 0.00 176.35 176.23 1lum h VAL 102 N 1.11 0.10 0.00 -1.59 -1.51 -1.96 -3.22 116.25 109.18 1lum h VAL 102 Ca -0.42 -0.03 -0.15 0.00 -1.23 0.00 0.00 66.70 64.87 1lum h VAL 102 Cb 1.32 0.01 -0.12 0.00 -2.13 0.00 0.00 31.29 30.37 1lum h VAL 102 CO 0.68 0.02 -0.12 0.35 -1.23 0.00 0.00 177.57 177.27 1lum n THR 103 N -4.85 0.00 -3.54 7.19 -2.24 -1.26 -5.00 114.28 104.58 1lum n THR 103 Ca 0.37 -1.04 -0.21 0.00 -2.27 0.00 0.00 64.05 60.90 1lum n THR 103 Cb 1.37 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 70.42 1lum n THR 103 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1lum n ARG 104 N -0.64 -1.02 -3.46 -0.78 1.85 -1.22 -2.20 116.66 109.18 1lum n ARG 104 Ca -0.13 0.44 -0.36 0.00 -1.00 0.00 0.00 57.85 56.80 1lum n ARG 104 Cb 0.76 -1.60 0.04 0.00 -1.05 0.00 0.00 32.46 30.61 1lum n ARG 104 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1lum n LEU 105 N -2.36 -2.81 0.05 2.89 7.99 -1.24 -3.15 117.00 118.38 1lum n LEU 105 Ca -0.22 -0.09 -0.10 0.00 -0.01 0.00 0.00 56.01 55.59 1lum n LEU 105 Cb 0.50 -1.68 -0.13 0.00 -0.11 0.00 0.00 43.42 42.00 1lum n LEU 105 CO 0.48 -0.21 -0.06 -0.09 -1.51 0.00 0.00 177.39 176.01 1lum h ARG 106 N 2.20 0.07 -0.66 3.23 2.43 -0.80 -3.28 114.38 117.57 1lum h ARG 106 Ca -0.51 -0.12 0.09 0.00 -0.81 0.00 0.00 59.98 58.63 1lum h ARG 106 Cb 1.37 0.04 -0.20 0.00 -0.42 0.00 0.00 29.97 30.77 1lum h ARG 106 CO 0.21 0.96 -0.23 -0.47 -1.51 0.00 0.00 179.97 178.93 1lum s TYR 107 N -2.67 -1.21 -0.31 2.20 5.04 0.59 -4.90 117.35 116.08 1lum s TYR 107 Ca -0.02 0.60 -0.37 0.00 -2.44 0.00 0.00 57.07 54.84 1lum s TYR 107 Cb 0.09 0.21 -0.13 0.00 0.35 0.00 0.00 41.96 42.48 1lum s TYR 107 CO 0.83 -0.73 2.04 -0.35 -1.34 0.00 0.00 175.55 176.00 1lum n PRO 108 N 5.02 1.16 -3.37 4.97 -0.04 -1.19 0.24 135.00 141.79 1lum n PRO 108 Ca 0.07 0.36 -0.40 0.00 -0.04 0.00 0.00 63.50 63.50 1lum n PRO 108 Cb 0.57 -2.34 -0.09 0.00 -0.04 0.00 0.00 33.50 31.60 1lum n PRO 108 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1lum s VAL 109 N 5.93 5.14 -0.55 0.52 0.11 3.36 -3.82 120.40 131.09 1lum s VAL 109 Ca 1.05 0.25 0.04 0.00 -2.93 0.00 0.00 61.98 60.40 1lum s VAL 109 Cb -0.93 -3.81 0.14 0.00 -1.53 0.00 0.00 36.38 30.25 1lum s VAL 109 CO 0.55 -0.04 0.32 0.00 -3.33 0.00 0.00 175.10 172.60