#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 -0.63 0.00 6.41 4.13 -1.26 -5.03 115.26 118.88 1lum n ASN 5 Ca 0.00 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.66 1lum n ASN 5 Cb 0.00 0.88 0.00 0.00 -1.54 0.00 0.00 39.78 39.12 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 -2.78 0.00 0.00 3.41 4.77 -1.26 -4.68 117.00 116.46 1lum n LEU 6 Ca 0.00 0.79 0.00 0.00 -0.03 0.00 0.00 56.01 56.77 1lum n LEU 6 Cb 0.00 -0.29 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1lum n LEU 6 CO 0.00 -0.29 0.00 -1.84 -1.33 0.00 0.00 177.39 173.93 1lum n GLU 7 N -1.44 0.00 0.00 3.23 0.28 -1.26 -2.97 120.64 118.48 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 0.00 0.00 -2.92 3.84 5.66 -1.26 -5.05 114.28 114.55 1lum n THR 8 Ca 0.00 0.00 -0.41 0.00 -3.05 0.00 0.00 64.05 60.59 1lum n THR 8 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 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 3.60 0.63 1.09 2.02 -1.16 -4.88 117.35 118.66 1lum s TYR 9 Ca 0.00 1.41 0.16 0.00 -0.37 0.00 0.00 57.07 58.27 1lum s TYR 9 Cb 0.00 -2.93 0.63 0.00 -0.40 0.00 0.00 41.96 39.26 1lum s TYR 9 CO 0.00 0.03 1.27 1.49 -1.57 0.00 0.00 175.55 176.77 1lum h GLU 10 N 6.80 0.00 0.07 -0.62 4.81 -1.88 0.98 114.58 124.74 1lum h GLU 10 Ca -0.40 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 58.47 1lum h GLU 10 Cb 1.20 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1lum h GLU 10 CO 0.76 0.00 -2.05 -2.67 -0.73 0.00 0.00 179.01 174.32 1lum n TRP 11 N -2.94 0.93 -2.00 0.92 4.27 -1.24 0.24 117.44 117.62 1lum n TRP 11 Ca 0.11 0.22 -0.41 0.00 -3.89 0.00 0.00 57.50 53.53 1lum n TRP 11 Cb 1.16 -1.13 -0.02 0.00 -1.36 0.00 0.00 31.31 29.96 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 -2.56 2.95 -0.29 -2.67 5.04 0.34 0.44 117.35 120.61 1lum s TYR 12 Ca -0.21 1.15 -0.03 0.00 -2.44 0.00 0.00 57.07 55.55 1lum s TYR 12 Cb 0.07 -3.82 0.10 0.00 0.35 0.00 0.00 41.96 38.66 1lum s TYR 12 CO 0.75 -2.52 0.12 1.21 -1.34 0.00 0.00 175.55 173.77 1lum s ASN 13 N 0.04 3.65 0.65 4.32 3.84 2.12 -4.67 114.94 124.89 1lum s ASN 13 Ca 0.55 -1.37 -0.17 0.00 0.21 0.00 0.00 52.86 52.08 1lum s ASN 13 Cb -0.42 -0.52 -0.01 0.00 -0.55 0.00 0.00 41.25 39.75 1lum s ASN 13 CO 0.49 -0.43 1.21 -1.59 -2.79 0.00 0.00 177.10 173.99 1lum s LYS 14 N 1.94 2.65 0.00 0.43 -2.85 -1.26 -2.57 119.74 118.07 1lum s LYS 14 Ca 0.09 1.78 0.00 0.00 -1.00 0.00 0.00 55.97 56.84 1lum s LYS 14 Cb -0.16 -1.89 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1lum s LYS 14 CO -0.32 -1.45 0.00 0.45 0.10 0.00 0.00 175.35 174.13 1lum n SER 15 N -2.07 0.00 -4.69 0.03 2.88 -1.26 -4.89 113.62 103.62 1lum n SER 15 Ca 0.13 0.00 -0.31 0.00 -1.33 0.00 0.00 58.87 57.36 1lum n SER 15 Cb 0.50 -1.72 0.15 0.00 -0.75 0.00 0.00 64.21 62.39 1lum n SER 15 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1lum s ILE 16 N -0.78 2.26 0.19 2.46 1.01 -1.06 -5.06 121.20 120.22 1lum s ILE 16 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.74 1lum s ILE 16 Cb 0.00 -2.19 -0.00 0.00 0.01 0.00 0.00 42.46 40.27 1lum s ILE 16 CO 0.00 -0.11 0.03 -0.24 0.00 0.00 0.00 174.94 174.62 1lum n SER 17 N -4.09 1.77 0.07 3.58 2.88 -1.26 -4.78 113.62 111.80 1lum n SER 17 Ca 0.11 -1.93 -0.09 0.00 -1.33 0.00 0.00 58.87 55.64 1lum n SER 17 Cb 0.52 0.30 0.02 0.00 -0.75 0.00 0.00 64.21 64.31 1lum n SER 17 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 1lum h ARG 18 N 0.00 0.30 -0.07 -1.46 0.11 -2.00 -3.04 114.38 108.22 1lum h ARG 18 Ca -0.15 -0.28 -0.09 0.00 0.10 0.00 0.00 59.98 59.56 1lum h ARG 18 Cb 0.52 0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.67 1lum h ARG 18 CO 0.25 0.95 -0.30 0.22 0.10 0.00 0.00 179.97 181.19 1lum h ASP 19 N 0.19 0.38 0.13 0.08 3.58 -2.00 -3.15 116.42 115.63 1lum h ASP 19 Ca -0.04 -0.65 -0.01 0.00 0.42 0.00 0.00 57.03 56.76 1lum h ASP 19 Cb 1.38 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.32 1lum h ASP 19 CO 0.13 0.96 -0.06 0.11 -2.88 0.00 0.00 179.24 177.50 1lum h LYS 20 N -0.18 -0.16 -0.50 0.28 6.56 -1.97 -1.65 116.57 118.94 1lum h LYS 20 Ca -0.02 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.66 1lum h LYS 20 Cb 0.95 0.04 -0.06 0.00 -0.57 0.00 0.00 32.23 32.58 1lum h LYS 20 CO 0.06 0.02 0.13 0.00 -2.06 0.00 0.00 179.45 177.60 1lum h ALA 21 N 0.53 0.58 -0.35 3.86 0.00 -1.67 1.18 119.26 123.39 1lum h ALA 21 Ca -0.02 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.03 1lum h ALA 21 Cb 0.26 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 1lum h ALA 21 CO 0.03 -0.28 0.07 0.93 0.00 0.00 0.00 179.25 180.00 1lum h GLU 22 N 0.28 0.18 -0.04 0.00 5.08 -1.49 2.35 114.58 120.94 1lum h GLU 22 Ca 0.25 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.62 1lum h GLU 22 Cb 0.31 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 1lum h GLU 22 CO -0.30 0.12 -0.14 1.57 -1.00 0.00 0.00 179.01 179.26 1lum h LYS 23 N 0.19 -0.21 -0.33 2.33 2.10 -0.00 0.92 116.57 121.56 1lum h LYS 23 Ca 0.17 0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.77 1lum h LYS 23 Cb 0.19 0.05 -0.02 0.00 -0.90 0.00 0.00 32.23 31.55 1lum h LYS 23 CO -0.22 -0.14 -0.06 1.37 -2.00 0.00 0.00 179.45 178.40 1lum h LEU 24 N -0.21 0.52 0.02 7.07 -0.00 0.22 -0.31 115.31 122.62 1lum h LEU 24 Ca 0.06 -0.12 -0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1lum h LEU 24 Cb 0.30 -0.14 0.00 0.00 -0.00 0.00 0.00 40.66 40.82 1lum h LEU 24 CO -0.16 0.63 -0.01 -0.07 -0.00 0.00 0.00 178.44 178.83 1lum h LEU 25 N 0.51 -0.03 -1.93 0.17 -0.00 0.52 -1.82 115.31 112.73 1lum h LEU 25 Ca 0.10 -0.05 0.03 0.00 -0.00 0.00 0.00 57.88 57.95 1lum h LEU 25 Cb 0.43 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.09 1lum h LEU 25 CO 0.02 0.04 0.11 -0.07 -0.00 0.00 0.00 178.44 178.54 1lum h LEU 26 N -0.09 0.08 -0.45 1.67 4.07 0.13 0.75 115.31 121.47 1lum h LEU 26 Ca -0.00 -0.00 0.09 0.00 0.08 0.00 0.00 57.88 58.05 1lum h LEU 26 Cb 0.08 -0.02 -0.09 0.00 1.08 0.00 0.00 40.66 41.72 1lum h LEU 26 CO 0.01 0.06 -0.12 0.44 -1.08 0.00 0.00 178.44 177.74 1lum h ASP 27 N 0.09 -0.44 0.00 -0.43 3.32 -0.17 -3.24 116.42 115.56 1lum h ASP 27 Ca 0.07 0.14 -0.20 0.00 0.02 0.00 0.00 57.03 57.05 1lum h ASP 27 Cb 0.16 0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1lum h ASP 27 CO -0.01 -0.15 -1.32 1.07 -1.72 0.00 0.00 179.24 177.10 1lum n THR 28 N -5.34 1.50 -0.62 0.35 5.66 -0.95 -4.99 114.28 109.89 1lum n THR 28 Ca 0.03 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 1lum n THR 28 Cb 0.25 -2.12 0.00 0.00 -1.55 0.00 0.00 70.33 66.91 1lum n THR 28 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1lum n GLY 29 N 1.44 0.62 3.70 1.09 0.00 0.26 -4.96 105.19 107.33 1lum n GLY 29 Ca -0.29 -0.64 -0.64 0.00 0.00 0.00 0.00 46.02 44.46 1lum n GLY 29 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1lum n LYS 30 N -2.62 0.41 -1.53 1.61 4.76 -1.26 -4.59 118.16 114.93 1lum n LYS 30 Ca 0.00 0.15 -0.43 0.00 -2.87 0.00 0.00 58.31 55.15 1lum n LYS 30 Cb 0.00 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 31.41 1lum n LYS 30 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1lum n GLU 31 N 4.82 1.31 -2.18 1.97 2.13 -1.26 0.16 120.64 127.59 1lum n GLU 31 Ca 0.31 0.28 0.00 0.00 0.66 0.00 0.00 57.16 58.41 1lum n GLU 31 Cb 0.01 -2.94 0.00 0.00 0.27 0.00 0.00 31.44 28.78 1lum n GLU 31 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1lum n GLY 32 N 6.13 0.77 3.60 8.31 0.00 0.11 -4.37 105.19 119.74 1lum n GLY 32 Ca 0.38 -0.72 -0.45 0.00 0.00 0.00 0.00 46.02 45.23 1lum n GLY 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lum n ALA 33 N -1.84 1.50 -2.82 4.61 0.00 1.60 -0.37 120.51 123.19 1lum n ALA 33 Ca 0.00 -0.05 -0.34 0.00 0.00 0.00 0.00 53.44 53.04 1lum n ALA 33 Cb 0.47 -2.76 -0.10 0.00 0.00 0.00 0.00 19.45 17.07 1lum n ALA 33 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1lum s PHE 34 N 6.82 3.17 0.16 0.00 5.36 0.49 0.30 117.98 134.28 1lum s PHE 34 Ca 0.99 0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.95 1lum s PHE 34 Cb -0.49 -1.95 -0.03 0.00 -0.34 0.00 0.00 43.02 40.20 1lum s PHE 34 CO 0.41 0.22 0.13 1.41 -1.46 0.00 0.00 175.22 175.93 1lum s MET 35 N -0.05 1.06 0.02 10.12 -2.45 1.54 0.68 119.30 130.22 1lum s MET 35 Ca 0.04 -1.43 0.01 0.00 -1.25 0.00 0.00 55.69 53.06 1lum s MET 35 Cb -0.13 0.28 -0.02 0.00 1.25 0.00 0.00 34.83 36.22 1lum s MET 35 CO 0.02 -0.34 -0.04 0.08 1.05 0.00 0.00 175.02 175.79 1lum s VAL 36 N -4.06 0.24 -0.15 10.11 1.01 1.55 0.56 120.40 129.65 1lum s VAL 36 Ca 0.26 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.28 1lum s VAL 36 Cb 0.06 -0.35 0.07 0.00 0.00 0.00 0.00 36.38 36.16 1lum s VAL 36 CO 0.04 -0.43 0.34 0.00 0.00 0.00 0.00 175.10 175.05 1lum s ARG 37 N -1.39 0.26 0.56 2.72 1.70 1.25 0.54 118.95 124.58 1lum s ARG 37 Ca -0.13 0.80 -0.20 0.00 -0.47 0.00 0.00 55.73 55.73 1lum s ARG 37 Cb -0.09 0.06 -0.06 0.00 -0.57 0.00 0.00 34.95 34.28 1lum s ARG 37 CO -0.01 -0.22 0.97 -3.47 -1.08 0.00 0.00 175.30 171.49 1lum n ASP 38 N 4.91 0.89 -0.05 -2.89 -0.08 -1.26 0.43 116.55 118.50 1lum n ASP 38 Ca -0.14 0.86 -0.06 0.00 -1.51 0.00 0.00 54.79 53.95 1lum n ASP 38 Cb 0.51 -1.38 -0.02 0.00 2.34 0.00 0.00 41.12 42.58 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 -0.41 1.38 0.00 1.67 2.88 -1.21 -4.63 113.62 113.31 1lum n SER 39 Ca 0.12 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1lum n SER 39 Cb 0.45 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 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 -3.88 0.00 -2.34 -1.46 1.74 -1.26 -5.11 116.66 104.35 1lum n ARG 40 Ca -0.09 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.71 1lum n ARG 40 Cb 0.33 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.78 1lum n ARG 40 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1lum s THR 41 N 0.00 4.47 -1.05 0.55 2.01 -1.26 -4.98 115.64 115.38 1lum s THR 41 Ca 0.00 0.34 -0.23 0.00 0.31 0.00 0.00 61.69 62.11 1lum s THR 41 Cb 0.00 -3.75 0.03 0.00 0.01 0.00 0.00 72.50 68.79 1lum s THR 41 CO 0.00 -0.82 1.62 -2.84 -0.69 0.00 0.00 174.62 171.89 1lum s PRO 42 N -4.95 3.38 0.00 4.92 0.02 -1.26 -3.13 135.00 133.99 1lum s PRO 42 Ca 0.51 -1.09 0.00 0.00 0.02 0.00 0.00 61.00 60.44 1lum s PRO 42 Cb -0.11 -5.32 0.00 0.00 0.02 0.00 0.00 34.50 29.09 1lum s PRO 42 CO 0.48 -2.55 0.00 0.41 -0.33 0.00 0.00 177.00 175.00 1lum n GLY 43 N 6.59 1.51 3.01 0.52 0.00 -1.26 -4.94 105.19 110.62 1lum n GLY 43 Ca 0.38 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.15 1lum n GLY 43 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1lum s THR 44 N -2.00 1.10 0.15 2.61 -4.23 -1.18 -4.36 115.64 107.72 1lum s THR 44 Ca 0.00 -0.45 0.06 0.00 -1.18 0.00 0.00 61.69 60.12 1lum s THR 44 Cb 0.00 -1.01 -0.04 0.00 1.34 0.00 0.00 72.50 72.79 1lum s THR 44 CO 0.00 0.35 -0.14 -0.31 -0.54 0.00 0.00 174.62 173.98 1lum s TYR 45 N 0.74 1.49 0.18 3.99 1.51 -1.23 -3.29 117.35 120.73 1lum s TYR 45 Ca -0.13 -0.58 -0.07 0.00 -1.01 0.00 0.00 57.07 55.28 1lum s TYR 45 Cb -0.16 -0.75 -0.06 0.00 -0.11 0.00 0.00 41.96 40.88 1lum s TYR 45 CO 0.03 0.20 0.45 0.99 -1.11 0.00 0.00 175.55 176.11 1lum s THR 46 N -2.48 5.07 -0.21 -0.71 2.01 1.45 0.21 115.64 120.98 1lum s THR 46 Ca 0.13 0.22 0.01 0.00 0.31 0.00 0.00 61.69 62.36 1lum s THR 46 Cb -0.03 -3.62 0.05 0.00 0.01 0.00 0.00 72.50 68.90 1lum s THR 46 CO 0.04 -0.01 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.16 1lum s VAL 47 N -1.73 1.76 -0.44 3.82 1.01 2.59 0.39 120.40 127.80 1lum s VAL 47 Ca 0.44 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 61.04 1lum s VAL 47 Cb -0.12 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.45 1lum s VAL 47 CO 0.23 0.14 0.85 -0.55 0.00 0.00 0.00 175.10 175.77 1lum s SER 48 N 1.33 6.48 -0.15 3.32 0.15 2.27 0.54 113.70 127.64 1lum s SER 48 Ca -0.03 0.09 -0.02 0.00 0.70 0.00 0.00 55.95 56.70 1lum s SER 48 Cb -0.17 -2.42 -0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1lum s SER 48 CO -0.08 -0.94 -0.09 0.68 1.20 0.00 0.00 173.24 174.01 1lum s VAL 49 N 3.46 3.34 -0.08 4.45 -7.23 0.48 0.44 120.40 125.28 1lum s VAL 49 Ca 0.33 -0.55 0.02 0.00 -1.81 0.00 0.00 61.98 59.98 1lum s VAL 49 Cb -0.11 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1lum s VAL 49 CO 0.23 0.50 -0.14 0.12 -0.31 0.00 0.00 175.10 175.50 1lum s PHE 50 N 0.56 1.69 -0.01 2.82 2.19 0.89 0.30 117.98 126.42 1lum s PHE 50 Ca -0.06 -0.67 0.02 0.00 0.33 0.00 0.00 56.93 56.56 1lum s PHE 50 Cb -0.15 -1.22 -0.00 0.00 -1.31 0.00 0.00 43.02 40.34 1lum s PHE 50 CO 0.03 -0.33 -0.08 0.99 1.83 0.00 0.00 175.22 177.66 1lum s THR 51 N 0.68 0.64 0.93 0.12 2.01 0.12 0.45 115.64 120.59 1lum s THR 51 Ca -0.14 -0.33 -0.11 0.00 0.31 0.00 0.00 61.69 61.42 1lum s THR 51 Cb -0.16 -0.55 0.15 0.00 0.01 0.00 0.00 72.50 71.95 1lum s THR 51 CO 0.04 0.19 1.09 -0.54 -0.69 0.00 0.00 174.62 174.71 1lum s LYS 52 N -0.08 0.96 0.00 4.92 -0.14 -1.26 0.79 119.74 124.93 1lum s LYS 52 Ca 0.01 1.01 0.00 0.00 -1.36 0.00 0.00 55.97 55.64 1lum s LYS 52 Cb -0.04 -1.76 0.00 0.00 -1.68 0.00 0.00 37.83 34.35 1lum s LYS 52 CO -0.00 -2.50 0.00 0.00 -0.76 0.00 0.00 175.35 172.09 1lum n ALA 53 N -4.09 0.00 0.00 5.17 0.00 3.05 -4.37 120.51 120.27 1lum n ALA 53 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 1lum n ALA 53 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1lum n ALA 53 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1lum n ILE 54 N 0.00 0.00 -1.79 0.00 0.00 -0.98 -4.84 119.36 111.76 1lum n ILE 54 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 62.75 62.78 1lum n ILE 54 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 39.64 39.63 1lum n ILE 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1lum n ILE 55 N -1.31 0.00 -0.20 9.51 0.13 -1.26 0.97 119.36 127.20 1lum n ILE 55 Ca 0.00 0.00 -0.08 0.00 -1.10 0.00 0.00 62.75 61.57 1lum n ILE 55 Cb 0.00 -0.06 -0.03 0.00 -0.84 0.00 0.00 39.64 38.70 1lum n ILE 55 CO 0.00 0.00 0.00 0.77 2.80 0.00 0.00 176.55 180.12 1lum h SER 56 N -0.17 -1.45 -0.37 9.51 4.64 -2.02 0.37 113.55 124.07 1lum h SER 56 Ca 0.00 0.24 -0.67 0.00 -0.47 0.00 0.00 61.79 60.90 1lum h SER 56 Cb 0.17 0.66 -0.02 0.00 -0.31 0.00 0.00 62.40 62.90 1lum h SER 56 CO 0.00 -0.33 3.17 -1.84 -0.87 0.00 0.00 176.83 176.95 1lum n GLU 57 N -5.41 3.87 -0.04 4.77 0.28 -1.24 -4.48 120.64 118.38 1lum n GLU 57 Ca 0.02 -2.52 -0.01 0.00 -0.16 0.00 0.00 57.16 54.48 1lum n GLU 57 Cb 0.35 -2.70 -0.00 0.00 1.43 0.00 0.00 31.44 30.52 1lum n GLU 57 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 1lum h ASN 58 N 4.75 0.00 -3.35 -1.84 -1.24 0.50 -3.38 115.58 111.00 1lum h ASN 58 Ca 0.79 0.00 -0.56 0.00 0.71 0.00 0.00 56.30 57.23 1lum h ASN 58 Cb 0.35 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 39.35 1lum h ASN 58 CO 1.61 0.43 0.23 -2.16 -1.29 0.00 0.00 177.43 176.25 1lum s PRO 59 N -1.58 4.41 -0.22 6.67 0.05 -1.13 0.66 135.00 143.86 1lum s PRO 59 Ca -0.04 1.01 -0.11 0.00 0.05 0.00 0.00 61.00 61.91 1lum s PRO 59 Cb 0.01 -3.49 -0.05 0.00 0.05 0.00 0.00 34.50 31.01 1lum s PRO 59 CO 0.05 -0.09 0.16 0.00 0.05 0.00 0.00 177.00 177.18 1lum s ILE 61 N 0.84 5.35 -0.16 0.00 1.09 -1.26 0.11 121.20 127.17 1lum s ILE 61 Ca 0.08 -0.31 -0.12 0.00 -1.10 0.00 0.00 60.65 59.20 1lum s ILE 61 Cb -0.13 -3.63 0.05 0.00 -1.06 0.00 0.00 42.46 37.69 1lum s ILE 61 CO 0.03 0.13 0.41 -0.54 -0.10 0.00 0.00 174.94 174.86 1lum s LYS 62 N -2.53 0.43 -0.53 2.79 -0.14 0.89 -4.94 119.74 115.71 1lum s LYS 62 Ca 0.36 0.69 -0.20 0.00 -1.36 0.00 0.00 55.97 55.46 1lum s LYS 62 Cb -0.13 0.10 0.07 0.00 -1.68 0.00 0.00 37.83 36.19 1lum s LYS 62 CO 0.27 -0.11 0.68 -1.01 -0.76 0.00 0.00 175.35 174.42 1lum s HIS 63 N 0.84 3.00 -0.36 3.18 3.76 -1.25 0.18 115.29 124.64 1lum s HIS 63 Ca -0.05 -0.59 -0.19 0.00 -0.15 0.00 0.00 55.06 54.08 1lum s HIS 63 Cb -0.06 -3.71 0.00 0.00 1.11 0.00 0.00 32.58 29.92 1lum s HIS 63 CO -0.06 -1.14 0.56 0.71 -0.85 0.00 0.00 174.74 173.96 1lum s TYR 64 N 2.81 3.16 0.10 1.40 1.51 2.11 -4.74 117.35 123.69 1lum s TYR 64 Ca 0.16 0.20 -0.19 0.00 -1.01 0.00 0.00 57.07 56.23 1lum s TYR 64 Cb -0.20 -3.04 -0.07 0.00 -0.11 0.00 0.00 41.96 38.55 1lum s TYR 64 CO 0.11 -0.60 0.58 -1.58 -1.11 0.00 0.00 175.55 172.95 1lum s HIS 65 N 2.53 3.77 -0.57 2.71 2.46 -1.26 0.61 115.29 125.54 1lum s HIS 65 Ca 0.21 1.25 -0.24 0.00 0.47 0.00 0.00 55.06 56.76 1lum s HIS 65 Cb -0.15 -2.49 0.05 0.00 -0.13 0.00 0.00 32.58 29.86 1lum s HIS 65 CO 0.14 0.55 0.93 0.42 -2.47 0.00 0.00 174.74 174.30 1lum s ILE 66 N -1.20 4.41 0.66 0.89 -1.09 0.58 -4.33 121.20 121.11 1lum s ILE 66 Ca 0.31 0.12 -0.16 0.00 -2.23 0.00 0.00 60.65 58.69 1lum s ILE 66 Cb -0.19 -4.55 0.00 0.00 -1.58 0.00 0.00 42.46 36.14 1lum s ILE 66 CO 0.19 -1.16 1.18 -0.75 -1.23 0.00 0.00 174.94 173.17 1lum s LYS 67 N 3.89 2.62 -0.08 2.79 2.47 2.39 -3.56 119.74 130.27 1lum s LYS 67 Ca 0.28 1.67 0.03 0.00 -1.56 0.00 0.00 55.97 56.39 1lum s LYS 67 Cb -0.14 -1.90 -0.02 0.00 -1.46 0.00 0.00 37.83 34.31 1lum s LYS 67 CO 0.17 -1.44 -0.16 -1.21 0.16 0.00 0.00 175.35 172.87 1lum s GLU 68 N -3.75 2.78 0.00 4.03 0.41 -1.22 0.26 118.70 121.21 1lum s GLU 68 Ca 0.73 -0.73 0.00 0.00 -0.41 0.00 0.00 54.97 54.56 1lum s GLU 68 Cb -0.27 -2.42 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 1lum s GLU 68 CO 0.40 0.46 0.00 0.25 -0.49 0.00 0.00 175.26 175.88 1lum n THR 69 N 2.78 0.00 -1.72 3.63 -2.24 4.01 -4.85 114.28 115.89 1lum n THR 69 Ca -0.17 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.37 1lum n THR 69 Cb 0.52 0.00 0.07 0.00 -2.10 0.00 0.00 70.33 68.83 1lum n THR 69 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lum n ASN 70 N -1.17 5.19 -2.05 3.42 4.13 -1.26 -4.56 115.26 118.96 1lum n ASN 70 Ca 0.00 -3.77 -0.01 0.00 1.68 0.00 0.00 54.58 52.48 1lum n ASN 70 Cb 0.00 -0.58 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 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 -0.85 0.01 -3.25 6.41 9.92 -1.24 -5.00 116.55 122.56 1lum n ASP 71 Ca 0.47 -1.02 -0.24 0.00 -0.53 0.00 0.00 54.79 53.47 1lum n ASP 71 Cb 0.90 -0.02 -0.08 0.00 -0.64 0.00 0.00 41.12 41.28 1lum n ASP 71 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1lum n SER 72 N -3.01 -0.42 -0.03 -2.24 3.41 -1.26 -4.58 113.62 105.48 1lum n SER 72 Ca 0.00 -2.58 -0.01 0.00 -0.26 0.00 0.00 58.87 56.02 1lum n SER 72 Cb 0.01 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 63.57 1lum n SER 72 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1lum h PRO 73 N 4.79 0.00 -5.61 4.33 0.13 -1.98 -3.50 132.00 130.16 1lum h PRO 73 Ca 0.15 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.93 1lum h PRO 73 Cb 0.91 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 31.86 1lum h PRO 73 CO 0.39 0.00 -0.52 1.63 -0.23 0.00 0.00 178.00 179.28 1lum n LYS 74 N -3.51 -0.88 -0.10 0.86 4.01 -1.23 -4.76 118.16 112.56 1lum n LYS 74 Ca -0.02 0.07 -0.18 0.00 -0.51 0.00 0.00 58.31 57.66 1lum n LYS 74 Cb 0.08 -2.41 -0.10 0.00 -0.51 0.00 0.00 35.03 32.09 1lum n LYS 74 CO 0.00 0.00 0.00 0.07 -1.11 0.00 0.00 177.40 176.36 1lum h ARG 75 N -0.51 0.00 -6.51 1.97 -0.00 0.15 -3.30 114.38 106.19 1lum h ARG 75 Ca -0.34 0.00 -0.53 0.00 -0.00 0.00 0.00 59.98 59.11 1lum h ARG 75 Cb 0.77 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.72 1lum h ARG 75 CO 0.46 0.86 -0.07 0.71 -0.00 0.00 0.00 179.97 181.93 1lum s TYR 76 N -2.31 3.43 0.11 4.08 2.02 0.65 0.77 117.35 126.09 1lum s TYR 76 Ca -0.25 0.91 -0.26 0.00 -0.37 0.00 0.00 57.07 57.09 1lum s TYR 76 Cb 0.04 -2.29 0.08 0.00 -0.40 0.00 0.00 41.96 39.39 1lum s TYR 76 CO 0.54 0.21 0.97 1.52 -1.57 0.00 0.00 175.55 177.23 1lum s TYR 77 N -1.91 -0.16 -0.34 2.71 1.13 0.74 0.53 117.35 120.05 1lum s TYR 77 Ca 0.48 -0.09 0.16 0.00 -1.41 0.00 0.00 57.07 56.20 1lum s TYR 77 Cb -0.11 0.61 0.42 0.00 -1.10 0.00 0.00 41.96 41.79 1lum s TYR 77 CO 0.22 -0.73 0.94 1.33 -2.51 0.00 0.00 175.55 174.80 1lum n VAL 78 N -0.43 0.61 0.00 -3.49 0.24 -1.25 0.58 118.33 114.59 1lum n VAL 78 Ca -0.07 -3.24 0.00 0.00 -2.04 0.00 0.00 64.34 58.99 1lum n VAL 78 Cb 0.61 0.50 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.01 0.00 -2.28 2.33 0.00 -1.26 -4.88 120.51 114.41 1lum n ALA 79 Ca 0.12 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.47 1lum n ALA 79 Cb 0.78 0.00 -0.02 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 -1.81 0.00 0.00 1.02 -1.26 -4.54 120.64 114.05 1lum n GLU 80 Ca 0.00 0.03 -0.01 0.00 -0.02 0.00 0.00 57.16 57.16 1lum n GLU 80 Cb 0.00 -2.88 -0.00 0.00 -0.02 0.00 0.00 31.44 28.53 1lum n GLU 80 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 1lum n LYS 81 N -1.94 0.06 -4.44 3.49 0.00 -1.26 -5.06 118.16 109.01 1lum n LYS 81 Ca 0.02 0.02 -0.23 0.00 -0.00 0.00 0.00 58.31 58.12 1lum n LYS 81 Cb 0.31 -0.38 -0.16 0.00 -0.00 0.00 0.00 35.03 34.80 1lum n LYS 81 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 1lum s TYR 82 N -1.46 1.23 0.29 5.58 2.02 -1.26 -5.09 117.35 118.66 1lum s TYR 82 Ca -0.03 -0.44 0.07 0.00 -0.37 0.00 0.00 57.07 56.31 1lum s TYR 82 Cb 0.00 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 1lum s TYR 82 CO 0.05 -0.26 0.21 0.14 -1.57 0.00 0.00 175.55 174.12 1lum s VAL 83 N 0.77 3.96 0.36 0.71 -7.23 -1.24 -3.96 120.40 113.77 1lum s VAL 83 Ca -0.13 -1.46 -0.01 0.00 -1.81 0.00 0.00 61.98 58.57 1lum s VAL 83 Cb -0.15 -3.25 0.00 0.00 0.56 0.00 0.00 36.38 33.54 1lum s VAL 83 CO 0.02 -0.28 0.49 -0.36 -0.31 0.00 0.00 175.10 174.66 1lum s PHE 84 N -2.23 1.16 -2.43 2.82 0.40 2.08 -4.50 117.98 115.28 1lum s PHE 84 Ca 0.36 -1.36 0.26 0.00 -0.60 0.00 0.00 56.93 55.58 1lum s PHE 84 Cb -0.07 -0.11 0.65 0.00 0.51 0.00 0.00 43.02 44.00 1lum s PHE 84 CO 0.25 -1.17 1.51 -0.40 0.70 0.00 0.00 175.22 176.11 1lum n ASP 85 N -1.58 1.86 -3.63 1.36 5.68 -1.26 0.24 116.55 119.21 1lum n ASP 85 Ca 0.01 -1.51 -0.03 0.00 -0.50 0.00 0.00 54.79 52.76 1lum n ASP 85 Cb 0.61 0.08 -0.03 0.00 -1.14 0.00 0.00 41.12 40.64 1lum n ASP 85 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 1lum s SER 86 N -2.15 -0.05 0.21 -1.12 0.15 -1.26 -4.87 113.70 104.60 1lum s SER 86 Ca 0.30 0.03 -0.09 0.00 0.70 0.00 0.00 55.95 56.89 1lum s SER 86 Cb 0.20 0.05 0.28 0.00 -1.71 0.00 0.00 66.02 64.84 1lum s SER 86 CO 0.39 -0.07 1.74 0.40 1.20 0.00 0.00 173.24 176.90 1lum h ILE 87 N 2.04 0.76 -0.49 6.45 5.03 -1.92 0.69 117.51 130.07 1lum h ILE 87 Ca -0.06 -0.14 0.09 0.00 -0.12 0.00 0.00 64.86 64.63 1lum h ILE 87 Cb 1.16 0.32 -0.08 0.00 -3.03 0.00 0.00 36.82 35.20 1lum h ILE 87 CO 0.21 0.07 0.02 1.55 -0.68 0.00 0.00 178.15 179.32 1lum h PRO 88 N 0.40 0.13 -0.07 2.37 0.13 -1.96 8.13 132.00 141.13 1lum h PRO 88 Ca 0.31 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.41 1lum h PRO 88 Cb 0.39 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.49 1lum h PRO 88 CO -0.31 0.09 -0.04 -0.07 -0.23 0.00 0.00 178.00 177.43 1lum h LEU 89 N 0.13 0.16 -1.25 1.56 4.07 -1.78 5.42 115.31 123.62 1lum h LEU 89 Ca 0.25 -0.44 0.13 0.00 0.08 0.00 0.00 57.88 57.89 1lum h LEU 89 Cb 0.36 -0.04 -0.07 0.00 1.08 0.00 0.00 40.66 41.99 1lum h LEU 89 CO -0.39 0.56 0.57 0.25 -1.08 0.00 0.00 178.44 178.35 1lum h LEU 90 N -0.24 0.71 0.00 1.67 6.46 0.18 1.35 115.31 125.44 1lum h LEU 90 Ca 0.01 0.03 -0.00 0.00 -0.12 0.00 0.00 57.88 57.81 1lum h LEU 90 Cb 0.51 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1lum h LEU 90 CO 0.01 0.38 -0.00 0.40 -0.62 0.00 0.00 178.44 178.61 1lum h ILE 91 N 0.76 1.66 -0.88 4.05 1.08 1.78 -2.73 117.51 123.23 1lum h ILE 91 Ca 0.43 -2.17 0.20 0.00 -0.39 0.00 0.00 64.86 62.93 1lum h ILE 91 Cb 0.60 3.11 -0.06 0.00 -3.07 0.00 0.00 36.82 37.39 1lum h ILE 91 CO -0.20 0.55 0.58 1.56 -0.69 0.00 0.00 178.15 179.96 1lum h GLN 92 N -0.96 0.38 -0.19 2.37 1.08 1.18 1.60 115.11 120.57 1lum h GLN 92 Ca -0.00 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.10 1lum h GLN 92 Cb 0.90 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1lum h GLN 92 CO 0.00 0.25 -0.17 0.10 -0.95 0.00 0.00 178.83 178.06 1lum h TYR 93 N 0.39 0.53 -0.04 2.96 -0.00 0.17 -2.71 116.97 118.27 1lum h TYR 93 Ca 0.45 -0.16 -0.02 0.00 0.00 0.00 0.00 58.73 59.01 1lum h TYR 93 Cb 1.15 -0.11 -0.00 0.00 0.00 0.00 0.00 36.73 37.76 1lum h TYR 93 CO -0.00 0.80 -0.03 0.45 -0.00 0.00 0.00 178.16 179.37 1lum h HIS 94 N 0.11 0.11 -1.10 0.10 3.86 -0.34 -2.71 115.15 115.18 1lum h HIS 94 Ca 0.03 -0.03 0.30 0.00 -1.16 0.00 0.00 60.37 59.51 1lum h HIS 94 Cb 0.71 -0.02 -0.07 0.00 1.06 0.00 0.00 27.41 29.08 1lum h HIS 94 CO 0.08 0.54 0.75 1.96 0.86 0.00 0.00 177.93 182.12 1lum h GLN 95 N -0.35 0.20 0.00 2.45 4.20 0.25 -3.33 115.11 118.53 1lum h GLN 95 Ca 0.01 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 1lum h GLN 95 Cb 0.52 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.26 1lum h GLN 95 CO 0.01 0.13 0.00 0.66 -0.67 0.00 0.00 178.83 178.96 1lum n TYR 96 N -4.44 0.00 0.00 2.96 4.02 -1.02 -4.80 117.16 113.88 1lum n TYR 96 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.15 1lum n TYR 96 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.37 1lum n TYR 96 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1lum n ASN 97 N 0.00 0.00 -3.65 7.72 3.02 -1.03 -4.85 115.26 116.47 1lum n ASN 97 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 1lum n ASN 97 Cb 0.00 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.10 1lum n ASN 97 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1lum s GLY 98 N 0.00 0.53 -0.06 7.41 0.00 -1.21 -4.99 107.32 109.01 1lum s GLY 98 Ca 0.00 3.74 -0.09 0.00 0.00 0.00 0.00 44.72 48.37 1lum s GLY 98 CO 0.00 2.37 0.23 -0.32 0.00 0.00 0.00 173.10 175.39 1lum s GLY 99 N 0.53 -0.13 -0.23 0.20 0.00 -1.26 -4.87 107.32 101.56 1lum s GLY 99 Ca -0.00 0.46 -0.06 0.00 0.00 0.00 0.00 44.72 45.12 1lum s GLY 99 CO -0.13 0.34 1.22 0.61 0.00 0.00 0.00 173.10 175.14 1lum n GLY 100 N 2.39 -0.09 3.28 0.20 0.00 -1.26 -3.80 105.19 105.91 1lum n GLY 100 Ca -0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.73 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 3.66 0.60 0.09 0.99 1.02 -1.26 -4.91 118.68 118.86 1lum s LEU 101 Ca 0.18 0.41 0.06 0.00 0.02 0.00 0.00 54.13 54.80 1lum s LEU 101 Cb -0.01 1.40 0.30 0.00 0.02 0.00 0.00 46.19 47.90 1lum s LEU 101 CO 0.04 -0.34 0.32 1.33 0.02 0.00 0.00 176.35 177.73 1lum n VAL 102 N 1.87 -0.06 -2.63 -1.59 0.24 -1.26 -1.67 118.33 113.23 1lum n VAL 102 Ca -0.18 0.39 -0.03 0.00 -2.04 0.00 0.00 64.34 62.48 1lum n VAL 102 Cb 0.57 -0.63 0.06 0.00 -1.47 0.00 0.00 33.84 32.37 1lum n VAL 102 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1lum n THR 103 N -3.17 0.00 -3.68 3.34 5.66 -1.26 -5.02 114.28 110.14 1lum n THR 103 Ca 0.08 -0.75 -0.25 0.00 -3.05 0.00 0.00 64.05 60.08 1lum n THR 103 Cb 0.31 0.78 0.01 0.00 -1.55 0.00 0.00 70.33 69.87 1lum n THR 103 CO 0.00 0.00 0.00 -2.11 -3.05 0.00 0.00 175.07 169.91 1lum n ARG 104 N -0.75 -0.82 -3.29 1.09 -4.01 -0.67 -2.10 116.66 106.10 1lum n ARG 104 Ca -0.12 0.26 -0.23 0.00 -1.04 0.00 0.00 57.85 56.71 1lum n ARG 104 Cb 0.72 -1.55 0.02 0.00 -3.04 0.00 0.00 32.46 28.62 1lum n ARG 104 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1lum n LEU 105 N -2.86 -4.63 -0.05 2.89 7.99 -1.25 -2.39 117.00 116.70 1lum n LEU 105 Ca -0.17 -0.04 -0.14 0.00 -0.01 0.00 0.00 56.01 55.65 1lum n LEU 105 Cb 0.46 -2.37 -0.02 0.00 -0.11 0.00 0.00 43.42 41.38 1lum n LEU 105 CO 0.50 -0.83 0.42 -0.09 -1.51 0.00 0.00 177.39 175.87 1lum h ARG 106 N 1.56 0.79 -0.65 3.23 1.12 -1.11 -3.31 114.38 116.00 1lum h ARG 106 Ca -0.34 -0.52 0.12 0.00 -1.11 0.00 0.00 59.98 58.14 1lum h ARG 106 Cb 1.24 0.07 -0.20 0.00 -0.01 0.00 0.00 29.97 31.06 1lum h ARG 106 CO 0.25 1.15 -0.19 -0.47 -3.11 0.00 0.00 179.97 177.59 1lum s TYR 107 N -4.04 -1.20 0.46 2.20 5.04 0.50 -4.95 117.35 115.36 1lum s TYR 107 Ca -0.10 0.77 -0.22 0.00 -2.44 0.00 0.00 57.07 55.08 1lum s TYR 107 Cb 0.10 0.23 -0.10 0.00 0.35 0.00 0.00 41.96 42.54 1lum s TYR 107 CO 0.88 -0.70 0.75 -0.35 -1.34 0.00 0.00 175.55 174.80 1lum n PRO 108 N 5.30 0.87 -4.20 4.97 -0.04 -1.20 0.19 135.00 140.88 1lum n PRO 108 Ca 0.06 0.32 -0.17 0.00 -0.04 0.00 0.00 63.50 63.67 1lum n PRO 108 Cb 0.55 -1.80 -0.13 0.00 -0.04 0.00 0.00 33.50 32.09 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 -1.44 0.79 -0.38 0.52 0.11 3.15 -4.45 120.40 118.70 1lum s VAL 109 Ca 0.65 -0.93 0.01 0.00 -2.93 0.00 0.00 61.98 58.79 1lum s VAL 109 Cb -0.54 -0.76 0.15 0.00 -1.53 0.00 0.00 36.38 33.69 1lum s VAL 109 CO 0.56 -0.14 0.25 0.00 -3.33 0.00 0.00 175.10 172.44