#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 0.22 0.00 6.41 2.04 -1.26 -4.88 115.26 117.80 1lum n ASN 5 Ca 0.00 -1.85 0.00 0.00 -0.44 0.00 0.00 54.58 52.29 1lum n ASN 5 Cb 0.00 -0.02 0.00 0.00 -2.53 0.00 0.00 39.78 37.23 1lum n ASN 5 CO 0.00 0.00 0.00 0.18 -0.44 0.00 0.00 177.26 177.00 1lum n LEU 6 N -0.45 0.00 0.00 -4.53 4.77 -1.26 -4.51 117.00 111.02 1lum n LEU 6 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1lum n LEU 6 Cb 0.05 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 1lum n LEU 6 CO 0.04 0.00 0.00 -1.84 -1.33 0.00 0.00 177.39 174.26 1lum n GLU 7 N 0.00 0.00 0.26 3.23 0.28 -1.26 0.26 120.64 123.41 1lum n GLU 7 Ca 0.00 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.08 1lum n GLU 7 Cb 0.00 0.00 0.27 0.00 1.43 0.00 0.00 31.44 33.14 1lum n GLU 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1lum h THR 8 N 0.00 0.01 -2.89 3.84 1.03 -1.93 -3.38 112.91 109.60 1lum h THR 8 Ca 0.00 0.00 -0.63 0.00 -0.01 0.00 0.00 66.41 65.77 1lum h THR 8 Cb 0.00 0.18 -0.06 0.00 -1.07 0.00 0.00 68.15 67.21 1lum h THR 8 CO 0.00 0.00 -0.36 -0.31 -0.01 0.00 0.00 175.52 174.84 1lum s TYR 9 N -4.09 3.61 0.54 0.00 2.02 0.74 -4.97 117.35 115.20 1lum s TYR 9 Ca -0.01 0.66 0.25 0.00 -0.37 0.00 0.00 57.07 57.59 1lum s TYR 9 Cb 0.04 -2.05 1.58 0.00 -0.40 0.00 0.00 41.96 41.13 1lum s TYR 9 CO 0.14 0.64 2.19 1.05 -1.57 0.00 0.00 175.55 177.99 1lum h GLU 10 N 4.29 0.00 0.18 -0.62 4.11 -1.85 -2.75 114.58 117.94 1lum h GLU 10 Ca -0.51 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.63 1lum h GLU 10 Cb 1.21 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.48 1lum h GLU 10 CO 0.64 0.03 -1.36 0.11 0.07 0.00 0.00 179.01 178.49 1lum h TRP 11 N 0.00 0.70 -4.02 2.06 5.08 -1.68 3.89 115.95 121.98 1lum h TRP 11 Ca -0.00 -0.51 -0.55 0.00 1.08 0.00 0.00 58.89 58.91 1lum h TRP 11 Cb 0.06 -0.03 0.13 0.00 -3.00 0.00 0.00 29.16 26.32 1lum h TRP 11 CO 0.00 1.53 0.66 -0.47 -1.28 0.00 0.00 178.44 178.88 1lum s TYR 12 N -2.52 2.37 -0.25 0.12 5.04 -1.04 0.45 117.35 121.50 1lum s TYR 12 Ca -0.14 1.31 -0.02 0.00 -2.44 0.00 0.00 57.07 55.78 1lum s TYR 12 Cb 0.04 -3.87 0.12 0.00 0.35 0.00 0.00 41.96 38.59 1lum s TYR 12 CO 0.86 -2.95 0.26 -0.80 -1.34 0.00 0.00 175.55 171.58 1lum s ASN 13 N -0.71 1.60 0.00 4.32 0.01 4.06 -4.58 114.94 119.64 1lum s ASN 13 Ca 0.66 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 1lum s ASN 13 Cb -0.42 0.44 0.00 0.00 0.41 0.00 0.00 41.25 41.68 1lum s ASN 13 CO 0.53 -0.36 0.00 2.29 -1.51 0.00 0.00 177.10 178.04 1lum n LYS 14 N 5.31 0.00 0.00 -0.60 2.85 -1.26 -3.19 118.16 121.27 1lum n LYS 14 Ca -0.04 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.22 1lum n LYS 14 Cb 0.47 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.85 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 -4.66 -5.58 3.41 -1.26 -4.16 113.62 101.37 1lum n SER 15 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 1lum n SER 15 Cb 0.00 0.00 0.17 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.08 2.17 0.04 -1.33 1.01 -1.19 -5.06 121.20 115.75 1lum s ILE 16 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1lum s ILE 16 Cb 0.00 -2.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 1lum s ILE 16 CO 0.00 -0.07 0.01 -0.24 0.00 0.00 0.00 174.94 174.64 1lum n SER 17 N -4.27 1.52 0.02 3.58 2.88 -1.26 -4.80 113.62 111.29 1lum n SER 17 Ca 0.10 -1.21 -0.16 0.00 -1.33 0.00 0.00 58.87 56.28 1lum n SER 17 Cb 0.52 0.07 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 1lum n SER 17 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1lum h ARG 18 N 0.00 0.63 -0.07 -1.46 2.43 -1.99 -3.04 114.38 110.88 1lum h ARG 18 Ca -0.03 -0.57 -0.08 0.00 -0.81 0.00 0.00 59.98 58.48 1lum h ARG 18 Cb 0.12 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 1lum h ARG 18 CO 0.06 1.19 -0.29 -0.44 -1.51 0.00 0.00 179.97 178.97 1lum h ASP 19 N 0.40 0.37 -0.09 -3.80 3.32 -2.00 -3.18 116.42 111.44 1lum h ASP 19 Ca -0.07 -0.64 0.03 0.00 0.02 0.00 0.00 57.03 56.36 1lum h ASP 19 Cb 1.48 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.89 1lum h ASP 19 CO 0.16 0.95 -0.08 0.11 -1.72 0.00 0.00 179.24 178.67 1lum h LYS 20 N -0.19 -0.09 -0.37 3.56 6.56 -1.97 0.03 116.57 124.10 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 0.94 0.02 -0.09 0.00 -0.57 0.00 0.00 32.23 32.53 1lum h LYS 20 CO 0.06 -0.06 -0.25 0.00 -2.06 0.00 0.00 179.45 177.14 1lum h ALA 21 N 0.98 -0.04 -0.30 3.86 0.00 -1.63 1.09 119.26 123.21 1lum h ALA 21 Ca 0.06 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1lum h ALA 21 Cb 0.18 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1lum h ALA 21 CO -0.15 -0.64 0.05 0.93 0.00 0.00 0.00 179.25 179.45 1lum h GLU 22 N -0.20 0.15 -0.33 0.00 5.08 -1.46 1.91 114.58 119.74 1lum h GLU 22 Ca 0.18 -0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1lum h GLU 22 Cb 0.48 -0.03 -0.07 0.00 0.50 0.00 0.00 28.75 29.63 1lum h GLU 22 CO -0.48 0.10 -0.10 1.57 -1.00 0.00 0.00 179.01 179.10 1lum h LYS 23 N 0.16 -0.03 -0.57 2.33 5.09 0.11 1.16 116.57 124.81 1lum h LYS 23 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 60.65 60.84 1lum h LYS 23 Cb 0.16 0.01 -0.02 0.00 0.10 0.00 0.00 32.23 32.47 1lum h LYS 23 CO -0.19 -0.02 0.18 1.37 -2.09 0.00 0.00 179.45 178.69 1lum h LEU 24 N -0.03 0.84 -0.18 7.07 8.10 0.21 -2.02 115.31 129.30 1lum h LEU 24 Ca 0.16 -0.21 0.04 0.00 0.11 0.00 0.00 57.88 57.98 1lum h LEU 24 Cb 0.27 -0.22 -0.04 0.00 -0.44 0.00 0.00 40.66 40.24 1lum h LEU 24 CO -0.35 0.82 -0.07 -0.07 -4.11 0.00 0.00 178.44 174.66 1lum h LEU 25 N 0.81 -0.23 -1.44 0.17 3.38 0.48 -1.20 115.31 117.28 1lum h LEU 25 Ca 0.18 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.30 1lum h LEU 25 Cb 0.28 0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1lum h LEU 25 CO -0.01 -0.09 0.46 -0.07 0.09 0.00 0.00 178.44 178.83 1lum h LEU 26 N -0.03 0.58 -0.29 1.67 3.38 0.15 0.59 115.31 121.35 1lum h LEU 26 Ca 0.09 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.12 1lum h LEU 26 Cb 0.17 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 1lum h LEU 26 CO -0.20 0.36 0.01 0.44 0.09 0.00 0.00 178.44 179.13 1lum h ASP 27 N 0.65 -0.10 0.00 -0.43 5.19 -0.48 -3.27 116.42 117.98 1lum h ASP 27 Ca 0.32 0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.72 1lum h ASP 27 Cb 0.39 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.00 1lum h ASP 27 CO -0.11 -0.01 -0.52 0.00 -3.12 0.00 0.00 179.24 175.48 1lum h THR 28 N 0.10 0.71 -3.78 0.35 1.03 -1.19 -3.50 112.91 106.62 1lum h THR 28 Ca 0.14 -1.68 -0.01 0.00 -0.01 0.00 0.00 66.41 64.84 1lum h THR 28 Cb 0.18 1.49 0.01 0.00 -1.07 0.00 0.00 68.15 68.76 1lum h THR 28 CO -0.23 0.24 -0.05 0.61 -0.01 0.00 0.00 175.52 176.08 1lum n GLY 29 N 1.59 -0.47 3.19 2.99 0.00 0.20 -5.04 105.19 107.65 1lum n GLY 29 Ca -0.14 0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.08 2.45 -0.47 1.61 3.01 -1.26 -4.63 119.74 117.37 1lum s LYS 30 Ca 0.03 -1.27 -0.36 0.00 -1.01 0.00 0.00 55.97 53.35 1lum s LYS 30 Cb -0.00 -3.26 -0.16 0.00 -1.01 0.00 0.00 37.83 33.39 1lum s LYS 30 CO 0.25 -0.65 1.86 -0.85 0.51 0.00 0.00 175.35 176.46 1lum n GLU 31 N 4.66 0.00 -0.53 1.68 0.28 -1.26 0.31 120.64 125.79 1lum n GLU 31 Ca -0.12 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.88 1lum n GLU 31 Cb 0.44 -1.26 0.00 0.00 1.43 0.00 0.00 31.44 32.04 1lum n GLU 31 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1lum n GLY 32 N 6.22 0.83 3.54 -1.84 0.00 0.12 -4.50 105.19 109.56 1lum n GLY 32 Ca 0.47 -0.47 -0.54 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.73 0.51 -2.83 4.61 0.00 1.11 -1.47 120.51 121.72 1lum n ALA 33 Ca 0.00 0.16 -0.34 0.00 0.00 0.00 0.00 53.44 53.25 1lum n ALA 33 Cb 0.04 -2.38 -0.10 0.00 0.00 0.00 0.00 19.45 17.01 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 5.57 3.20 0.05 0.00 5.36 0.55 0.26 117.98 132.98 1lum s PHE 34 Ca 1.05 0.03 -0.03 0.00 -0.96 0.00 0.00 56.93 57.03 1lum s PHE 34 Cb -0.99 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 39.67 1lum s PHE 34 CO 0.57 0.20 0.02 1.41 -1.46 0.00 0.00 175.22 175.96 1lum s MET 35 N 0.05 0.63 0.05 10.12 -2.45 1.55 0.73 119.30 129.97 1lum s MET 35 Ca 0.04 -1.09 0.03 0.00 -1.25 0.00 0.00 55.69 53.42 1lum s MET 35 Cb -0.13 0.23 -0.02 0.00 1.25 0.00 0.00 34.83 36.16 1lum s MET 35 CO 0.01 -0.14 -0.10 0.08 1.05 0.00 0.00 175.02 175.93 1lum s VAL 36 N -3.62 0.70 -0.16 10.11 1.01 1.56 0.62 120.40 130.63 1lum s VAL 36 Ca 0.04 -1.09 -0.07 0.00 0.00 0.00 0.00 61.98 60.86 1lum s VAL 36 Cb 0.05 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.77 1lum s VAL 36 CO -0.09 -0.30 0.35 0.00 0.00 0.00 0.00 175.10 175.06 1lum s ARG 37 N -1.52 0.29 0.58 2.72 1.70 1.05 0.78 118.95 124.54 1lum s ARG 37 Ca -0.07 0.81 -0.20 0.00 -0.47 0.00 0.00 55.73 55.80 1lum s ARG 37 Cb -0.09 0.06 -0.04 0.00 -0.57 0.00 0.00 34.95 34.31 1lum s ARG 37 CO 0.01 -0.21 1.19 -3.47 -1.08 0.00 0.00 175.30 171.73 1lum n ASP 38 N 4.83 1.80 -2.60 -2.89 -0.08 -1.25 0.46 116.55 116.81 1lum n ASP 38 Ca -0.16 0.88 -0.01 0.00 -1.51 0.00 0.00 54.79 53.99 1lum n ASP 38 Cb 0.52 -1.50 0.05 0.00 2.34 0.00 0.00 41.12 42.53 1lum n ASP 38 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1lum n SER 39 N -1.07 1.78 0.00 1.67 7.64 -1.19 -4.68 113.62 117.77 1lum n SER 39 Ca 0.13 -2.18 0.00 0.00 1.01 0.00 0.00 58.87 57.83 1lum n SER 39 Cb 0.46 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 1lum n SER 39 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1lum n ARG 40 N -0.49 0.00 0.00 1.43 3.00 -1.26 -4.75 116.66 114.58 1lum n ARG 40 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.94 1lum n ARG 40 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.31 1lum n ARG 40 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.63 175.26 1lum n THR 41 N 0.00 0.00 0.00 0.55 5.66 -1.26 0.77 114.28 120.00 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 -2.65 -3.05 0.00 0.00 175.07 169.37 1lum n PRO 42 N 0.00 0.00 0.00 1.09 -0.02 -1.26 -4.42 135.00 130.39 1lum n PRO 42 Ca 0.00 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 1lum n PRO 42 Cb 0.00 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1lum n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1lum n GLY 43 N -0.90 1.54 3.16 -1.23 0.00 0.23 -5.01 105.19 102.98 1lum n GLY 43 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.74 0.00 -4.18 2.61 5.66 -1.20 -4.97 114.28 111.46 1lum n THR 44 Ca 0.00 -0.81 -0.13 0.00 -3.05 0.00 0.00 64.05 60.06 1lum n THR 44 Cb 0.00 -1.59 -0.10 0.00 -1.55 0.00 0.00 70.33 67.08 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 -3.37 1.03 0.14 1.09 1.51 -1.16 -3.14 117.35 113.45 1lum s TYR 45 Ca 0.62 -0.76 0.03 0.00 -1.01 0.00 0.00 57.07 55.94 1lum s TYR 45 Cb -0.02 -0.56 -0.04 0.00 -0.11 0.00 0.00 41.96 41.24 1lum s TYR 45 CO 0.43 -0.04 0.23 0.99 -1.11 0.00 0.00 175.55 176.06 1lum s THR 46 N -3.01 5.11 -0.26 -0.71 2.01 1.63 0.41 115.64 120.82 1lum s THR 46 Ca 0.09 -0.75 -0.01 0.00 0.31 0.00 0.00 61.69 61.33 1lum s THR 46 Cb 0.01 -3.61 0.08 0.00 0.01 0.00 0.00 72.50 68.99 1lum s THR 46 CO -0.02 -0.07 0.04 -0.69 -0.69 0.00 0.00 174.62 173.20 1lum s VAL 47 N -1.71 1.00 -0.41 3.82 1.01 2.78 0.34 120.40 127.23 1lum s VAL 47 Ca 0.34 -1.15 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 1lum s VAL 47 Cb -0.11 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.74 1lum s VAL 47 CO 0.27 -0.39 1.01 -0.55 0.00 0.00 0.00 175.10 175.44 1lum s SER 48 N 1.60 6.67 -0.17 3.32 0.15 2.66 0.25 113.70 128.18 1lum s SER 48 Ca 0.03 0.53 -0.01 0.00 0.70 0.00 0.00 55.95 57.19 1lum s SER 48 Cb -0.18 -2.50 -0.01 0.00 -1.71 0.00 0.00 66.02 61.63 1lum s SER 48 CO -0.14 -1.01 -0.11 0.68 1.20 0.00 0.00 173.24 173.85 1lum s VAL 49 N 3.83 2.98 -0.05 4.45 -7.23 0.54 0.44 120.40 125.36 1lum s VAL 49 Ca 0.42 -0.66 0.05 0.00 -1.81 0.00 0.00 61.98 59.98 1lum s VAL 49 Cb -0.10 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.54 1lum s VAL 49 CO 0.23 0.49 -0.20 0.12 -0.31 0.00 0.00 175.10 175.44 1lum s PHE 50 N 0.87 1.96 -0.38 2.82 2.19 0.75 0.19 117.98 126.38 1lum s PHE 50 Ca -0.03 -0.58 -0.10 0.00 0.33 0.00 0.00 56.93 56.55 1lum s PHE 50 Cb -0.15 -1.31 0.04 0.00 -1.31 0.00 0.00 43.02 40.29 1lum s PHE 50 CO -0.00 -0.19 0.20 0.99 1.83 0.00 0.00 175.22 178.05 1lum s THR 51 N -0.02 4.37 0.00 0.12 2.01 -0.20 0.36 115.64 122.28 1lum s THR 51 Ca -0.04 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.95 1lum s THR 51 Cb -0.12 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 68.89 1lum s THR 51 CO 0.03 -0.28 0.00 2.29 -0.69 0.00 0.00 174.62 175.97 1lum n LYS 52 N 4.95 0.00 -4.47 4.92 -0.00 -1.26 -3.48 118.16 118.82 1lum n LYS 52 Ca -0.12 0.00 -0.24 0.00 -0.00 0.00 0.00 58.31 57.95 1lum n LYS 52 Cb 0.45 0.00 -0.17 0.00 -0.00 0.00 0.00 35.03 35.32 1lum n LYS 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1lum s ALA 53 N 0.00 1.21 -0.42 0.58 0.00 -1.26 -4.27 121.76 117.61 1lum s ALA 53 Ca 0.00 -0.39 0.05 0.00 0.00 0.00 0.00 51.96 51.62 1lum s ALA 53 Cb 0.00 -0.59 0.31 0.00 0.00 0.00 0.00 23.12 22.84 1lum s ALA 53 CO 0.00 0.04 1.19 -0.89 0.00 0.00 0.00 175.76 176.11 1lum n ILE 54 N 3.96 0.00 -2.94 0.00 5.41 -1.26 -4.97 119.36 119.56 1lum n ILE 54 Ca -0.22 -1.21 -0.11 0.00 1.00 0.00 0.00 62.75 62.20 1lum n ILE 54 Cb 0.51 1.36 0.05 0.00 -0.71 0.00 0.00 39.64 40.85 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 0.54 -3.19 -0.09 1.39 3.06 -1.26 -4.97 119.36 114.84 1lum n ILE 55 Ca 0.02 -0.23 -0.15 0.00 -2.50 0.00 0.00 62.75 59.89 1lum n ILE 55 Cb 0.71 -3.77 -0.08 0.00 0.54 0.00 0.00 39.64 37.05 1lum n ILE 55 CO 0.00 0.00 0.00 -0.24 -2.50 0.00 0.00 176.55 173.81 1lum n SER 56 N -2.03 2.15 0.00 9.51 2.88 -1.26 -5.06 113.62 119.81 1lum n SER 56 Ca -0.13 0.02 0.00 0.00 -1.33 0.00 0.00 58.87 57.43 1lum n SER 56 Cb 0.59 -0.38 0.00 0.00 -0.75 0.00 0.00 64.21 63.66 1lum n SER 56 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1lum n GLU 57 N -3.33 0.00 0.04 -1.46 0.00 -1.26 -4.98 120.64 109.65 1lum n GLU 57 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.82 1lum n GLU 57 Cb 0.81 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.25 1lum n GLU 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1lum n ASN 58 N 0.00 -0.67 -4.47 4.31 3.02 -1.26 -5.13 115.26 111.07 1lum n ASN 58 Ca 0.00 0.39 -0.63 0.00 -0.03 0.00 0.00 54.58 54.30 1lum n ASN 58 Cb 0.00 0.90 -0.09 0.00 -0.61 0.00 0.00 39.78 39.98 1lum n ASN 58 CO 0.00 0.00 0.00 -2.65 -2.62 0.00 0.00 177.26 171.99 1lum n PRO 59 N -2.75 0.00 -4.16 3.52 -0.02 -1.26 -4.95 135.00 125.38 1lum n PRO 59 Ca 0.00 0.00 -0.14 0.00 -2.02 0.00 0.00 63.50 61.34 1lum n PRO 59 Cb 0.00 -1.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.95 1lum n PRO 59 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1lum s ILE 61 N -2.53 3.52 -0.01 0.00 1.09 -1.26 -1.04 121.20 120.97 1lum s ILE 61 Ca 0.05 -1.10 -0.00 0.00 -1.10 0.00 0.00 60.65 58.50 1lum s ILE 61 Cb -0.02 -2.62 0.01 0.00 -1.06 0.00 0.00 42.46 38.77 1lum s ILE 61 CO -0.01 0.19 0.01 -0.54 -0.10 0.00 0.00 174.94 174.50 1lum s LYS 62 N -1.99 -0.01 -0.42 2.79 1.02 0.50 -4.98 119.74 116.65 1lum s LYS 62 Ca 0.21 0.07 -0.08 0.00 0.02 0.00 0.00 55.97 56.19 1lum s LYS 62 Cb -0.11 -0.09 0.08 0.00 -0.52 0.00 0.00 37.83 37.19 1lum s LYS 62 CO 0.13 -0.06 0.25 -1.01 -0.92 0.00 0.00 175.35 173.73 1lum s HIS 63 N 0.39 3.36 -0.24 3.18 3.76 -1.25 0.20 115.29 124.69 1lum s HIS 63 Ca -0.03 -1.64 -0.12 0.00 -0.15 0.00 0.00 55.06 53.12 1lum s HIS 63 Cb -0.05 -2.98 -0.05 0.00 1.11 0.00 0.00 32.58 30.62 1lum s HIS 63 CO -0.01 -0.87 0.23 0.71 -0.85 0.00 0.00 174.74 173.95 1lum s TYR 64 N 1.39 3.30 -0.29 1.40 2.02 0.68 -4.79 117.35 121.06 1lum s TYR 64 Ca 0.03 0.29 -0.13 0.00 -0.37 0.00 0.00 57.07 56.89 1lum s TYR 64 Cb -0.23 -2.37 -0.04 0.00 -0.40 0.00 0.00 41.96 38.93 1lum s TYR 64 CO 0.01 -0.02 0.30 -1.58 -1.57 0.00 0.00 175.55 172.69 1lum s HIS 65 N 1.34 3.23 -0.36 2.71 2.46 -1.26 0.63 115.29 124.04 1lum s HIS 65 Ca 0.10 0.17 -0.28 0.00 0.47 0.00 0.00 55.06 55.53 1lum s HIS 65 Cb -0.14 -2.52 -0.07 0.00 -0.13 0.00 0.00 32.58 29.72 1lum s HIS 65 CO 0.07 -0.26 2.32 -0.89 -2.47 0.00 0.00 174.74 173.51 1lum n ILE 66 N 5.12 0.14 -1.72 0.89 2.08 1.37 -4.30 119.36 122.94 1lum n ILE 66 Ca -0.11 -0.60 -0.33 0.00 0.56 0.00 0.00 62.75 62.28 1lum n ILE 66 Cb 0.51 -2.59 0.05 0.00 -0.75 0.00 0.00 39.64 36.86 1lum n ILE 66 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 1lum s LYS 67 N 7.27 2.72 -0.07 0.38 2.47 2.17 -3.00 119.74 131.67 1lum s LYS 67 Ca 1.01 1.42 0.03 0.00 -1.56 0.00 0.00 55.97 56.87 1lum s LYS 67 Cb -0.31 -1.94 -0.02 0.00 -1.46 0.00 0.00 37.83 34.10 1lum s LYS 67 CO 0.32 -1.32 -0.15 -1.21 0.16 0.00 0.00 175.35 173.15 1lum s GLU 68 N -4.09 2.74 -0.39 4.03 2.02 -1.16 0.43 118.70 122.28 1lum s GLU 68 Ca 0.68 -0.72 0.06 0.00 0.02 0.00 0.00 54.97 55.00 1lum s GLU 68 Cb -0.21 -2.42 0.17 0.00 0.10 0.00 0.00 34.13 31.77 1lum s GLU 68 CO 0.42 0.49 0.53 -0.08 0.02 0.00 0.00 175.26 176.63 1lum s THR 69 N -0.37 -0.74 0.00 3.63 -1.32 2.68 -4.87 115.64 114.65 1lum s THR 69 Ca 0.04 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.13 1lum s THR 69 Cb -0.12 -0.32 0.00 0.00 -1.51 0.00 0.00 72.50 70.55 1lum s THR 69 CO 0.02 -0.23 0.74 0.59 -2.21 0.00 0.00 174.62 173.53 1lum n ASN 70 N 4.41 -1.47 -1.83 8.08 4.13 -1.26 -3.54 115.26 123.77 1lum n ASN 70 Ca 0.11 -0.98 0.00 0.00 1.68 0.00 0.00 54.58 55.38 1lum n ASN 70 Cb 0.52 -0.36 0.00 0.00 -1.54 0.00 0.00 39.78 38.40 1lum n ASN 70 CO 0.00 0.00 0.00 -0.67 0.28 0.00 0.00 177.26 176.87 1lum n ASP 71 N 3.66 0.00 -2.91 6.41 -0.08 -0.77 -4.96 116.55 117.90 1lum n ASP 71 Ca 0.00 0.00 -0.29 0.00 -1.51 0.00 0.00 54.79 52.99 1lum n ASP 71 Cb 0.37 0.00 -0.03 0.00 2.34 0.00 0.00 41.12 43.80 1lum n ASP 71 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1lum n SER 72 N 0.00 4.87 -0.08 1.67 2.88 -1.26 -4.45 113.62 117.25 1lum n SER 72 Ca 0.00 -3.70 -0.20 0.00 -1.33 0.00 0.00 58.87 53.64 1lum n SER 72 Cb 0.00 -0.61 -0.12 0.00 -0.75 0.00 0.00 64.21 62.73 1lum n SER 72 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1lum n PRO 73 N -0.28 0.68 -0.59 -1.46 -0.04 -1.26 -5.11 135.00 126.94 1lum n PRO 73 Ca 0.34 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1lum n PRO 73 Cb 0.43 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.29 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 -3.47 0.00 -0.12 0.54 4.01 -1.26 -4.54 118.16 113.32 1lum n LYS 74 Ca -0.41 0.00 -0.21 0.00 -0.51 0.00 0.00 58.31 57.18 1lum n LYS 74 Cb 0.99 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 35.43 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 0.34 0.56 -2.91 1.97 1.74 0.43 -1.85 116.66 116.93 1lum n ARG 75 Ca 0.00 0.29 -0.32 0.00 -0.77 0.00 0.00 57.85 57.05 1lum n ARG 75 Cb 0.00 -1.51 -0.05 0.00 -1.02 0.00 0.00 32.46 29.88 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 -2.61 3.39 -0.30 -1.55 2.02 1.02 0.62 117.35 119.93 1lum s TYR 76 Ca -0.33 1.30 -0.25 0.00 -0.37 0.00 0.00 57.07 57.42 1lum s TYR 76 Cb 0.10 -2.62 0.19 0.00 -0.40 0.00 0.00 41.96 39.23 1lum s TYR 76 CO 0.46 -0.05 1.46 1.52 -1.57 0.00 0.00 175.55 177.37 1lum s TYR 77 N -2.19 -0.03 -0.71 2.71 1.13 1.49 0.35 117.35 120.10 1lum s TYR 77 Ca 0.56 0.08 0.05 0.00 -1.41 0.00 0.00 57.07 56.34 1lum s TYR 77 Cb -0.10 0.49 0.19 0.00 -1.10 0.00 0.00 41.96 41.44 1lum s TYR 77 CO 0.21 -0.02 0.57 1.33 -2.51 0.00 0.00 175.55 175.14 1lum n VAL 78 N 1.49 1.92 0.00 -3.49 0.24 -1.26 0.55 118.33 117.77 1lum n VAL 78 Ca -0.10 -4.97 0.00 0.00 -2.04 0.00 0.00 64.34 57.23 1lum n VAL 78 Cb 0.57 -2.18 0.00 0.00 -1.47 0.00 0.00 33.84 30.76 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 1.75 0.00 -1.61 2.33 0.00 -1.26 -4.74 120.51 116.99 1lum n ALA 79 Ca 0.22 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.64 1lum n ALA 79 Cb 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.73 0.00 0.00 1.02 -1.26 -4.73 120.64 113.93 1lum n GLU 80 Ca 0.00 0.13 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 1lum n GLU 80 Cb 0.00 -4.35 0.00 0.00 -0.02 0.00 0.00 31.44 27.07 1lum n GLU 80 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1lum n LYS 81 N -1.69 0.00 -3.95 3.49 5.02 -1.26 -4.95 118.16 114.83 1lum n LYS 81 Ca -0.03 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.96 1lum n LYS 81 Cb 0.25 -0.31 -0.15 0.00 -0.02 0.00 0.00 35.03 34.79 1lum n LYS 81 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1lum s TYR 82 N 0.00 2.53 0.23 2.13 1.51 -1.26 -5.10 117.35 117.38 1lum s TYR 82 Ca 0.00 -1.88 -0.21 0.00 -1.01 0.00 0.00 57.07 53.97 1lum s TYR 82 Cb 0.00 -1.69 -0.08 0.00 -0.11 0.00 0.00 41.96 40.08 1lum s TYR 82 CO 0.00 -0.80 0.76 0.08 -1.11 0.00 0.00 175.55 174.48 1lum s VAL 83 N 1.35 4.49 0.25 0.71 1.01 -1.25 -4.49 120.40 122.47 1lum s VAL 83 Ca -0.05 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.36 1lum s VAL 83 Cb -0.19 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 1lum s VAL 83 CO -0.07 0.25 0.15 -0.36 0.00 0.00 0.00 175.10 175.07 1lum s PHE 84 N -1.48 1.39 -2.33 5.22 0.40 1.07 -4.46 117.98 117.80 1lum s PHE 84 Ca 0.43 -1.38 0.21 0.00 -0.60 0.00 0.00 56.93 55.59 1lum s PHE 84 Cb -0.18 -0.70 0.65 0.00 0.51 0.00 0.00 43.02 43.30 1lum s PHE 84 CO 0.22 -0.59 1.50 -0.25 0.70 0.00 0.00 175.22 176.80 1lum n ASP 85 N -0.59 2.09 -3.60 1.36 8.00 -1.26 0.33 116.55 122.88 1lum n ASP 85 Ca 0.02 -1.79 -0.08 0.00 0.71 0.00 0.00 54.79 53.65 1lum n ASP 85 Cb 0.65 -0.14 -0.05 0.00 -0.02 0.00 0.00 41.12 41.56 1lum n ASP 85 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 1lum s SER 86 N -1.54 -0.29 0.19 -2.24 0.15 -1.26 -4.86 113.70 103.85 1lum s SER 86 Ca 0.33 0.36 -0.13 0.00 0.70 0.00 0.00 55.95 57.21 1lum s SER 86 Cb 0.18 0.29 0.19 0.00 -1.71 0.00 0.00 66.02 64.98 1lum s SER 86 CO 0.27 -0.24 1.72 0.40 1.20 0.00 0.00 173.24 176.59 1lum h ILE 87 N 2.58 0.73 -0.47 6.45 5.03 -1.96 0.69 117.51 130.57 1lum h ILE 87 Ca -0.17 -0.08 0.09 0.00 -0.12 0.00 0.00 64.86 64.57 1lum h ILE 87 Cb 1.17 0.47 -0.08 0.00 -3.03 0.00 0.00 36.82 35.35 1lum h ILE 87 CO 0.26 0.04 0.01 1.55 -0.68 0.00 0.00 178.15 179.34 1lum h PRO 88 N 0.24 0.13 -0.09 2.37 0.13 -1.96 7.48 132.00 140.31 1lum h PRO 88 Ca 0.25 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.34 1lum h PRO 88 Cb 0.33 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 1lum h PRO 88 CO -0.32 0.08 -0.07 -0.07 -0.23 0.00 0.00 178.00 177.40 1lum h LEU 89 N 0.13 0.21 -1.25 1.56 4.07 -1.82 6.10 115.31 124.30 1lum h LEU 89 Ca 0.23 -0.46 0.13 0.00 0.08 0.00 0.00 57.88 57.86 1lum h LEU 89 Cb 0.34 -0.06 -0.07 0.00 1.08 0.00 0.00 40.66 41.96 1lum h LEU 89 CO -0.38 0.63 0.57 0.25 -1.08 0.00 0.00 178.44 178.43 1lum h LEU 90 N -0.21 0.71 0.15 1.67 6.46 0.16 1.42 115.31 125.68 1lum h LEU 90 Ca 0.02 0.04 -0.23 0.00 -0.12 0.00 0.00 57.88 57.58 1lum h LEU 90 Cb 0.56 -0.11 0.03 0.00 -0.73 0.00 0.00 40.66 40.41 1lum h LEU 90 CO 0.02 0.38 -1.01 0.40 -0.62 0.00 0.00 178.44 177.61 1lum h ILE 91 N 0.77 1.42 -0.54 4.05 1.08 1.63 -3.02 117.51 122.89 1lum h ILE 91 Ca 0.44 -2.52 0.06 0.00 -0.39 0.00 0.00 64.86 62.45 1lum h ILE 91 Cb 0.60 3.05 -0.03 0.00 -3.07 0.00 0.00 36.82 37.37 1lum h ILE 91 CO -0.20 0.73 0.36 1.56 -0.69 0.00 0.00 178.15 179.92 1lum h GLN 92 N -0.14 0.47 -0.29 2.37 1.08 1.43 2.16 115.11 122.19 1lum h GLN 92 Ca -0.17 -0.03 -0.08 0.00 -1.45 0.00 0.00 58.65 56.92 1lum h GLN 92 Cb 1.78 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 29.09 1lum h GLN 92 CO 0.19 0.31 -0.12 0.10 -0.95 0.00 0.00 178.83 178.36 1lum h TYR 93 N 0.48 0.68 -0.07 2.96 -0.00 0.18 -1.82 116.97 119.39 1lum h TYR 93 Ca 0.24 -0.16 -0.11 0.00 0.00 0.00 0.00 58.73 58.69 1lum h TYR 93 Cb 0.32 -0.16 0.01 0.00 0.00 0.00 0.00 36.73 36.89 1lum h TYR 93 CO -0.00 0.82 -0.40 0.45 -0.00 0.00 0.00 178.16 179.03 1lum h HIS 94 N 0.35 0.54 -1.01 0.10 3.86 -1.02 -2.23 115.15 115.73 1lum h HIS 94 Ca 0.07 -0.24 0.25 0.00 -1.16 0.00 0.00 60.37 59.28 1lum h HIS 94 Cb 0.63 -0.08 -0.12 0.00 1.06 0.00 0.00 27.41 28.90 1lum h HIS 94 CO 0.06 1.01 0.61 1.96 0.86 0.00 0.00 177.93 182.42 1lum h GLN 95 N -0.08 0.53 0.00 2.45 1.08 0.37 -3.32 115.11 116.14 1lum h GLN 95 Ca -0.03 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 1lum h GLN 95 Cb 1.06 -0.12 0.00 0.00 -0.05 0.00 0.00 27.48 28.37 1lum h GLN 95 CO 0.08 0.35 0.00 0.66 -0.95 0.00 0.00 178.83 178.98 1lum n TYR 96 N -4.85 0.00 0.00 2.96 4.02 -0.69 -4.83 117.16 113.77 1lum n TYR 96 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.16 1lum n TYR 96 Cb 0.77 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.09 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 0.00 7.72 5.03 -0.84 -4.76 115.26 122.40 1lum n ASN 97 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1lum n ASN 97 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1lum n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1lum n GLY 98 N 0.00 0.00 5.21 7.41 0.00 -1.24 -5.02 105.19 111.55 1lum n GLY 98 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1lum n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lum n GLY 99 N -0.22 0.20 0.00 -0.02 0.00 -1.26 -4.33 105.19 99.57 1lum n GLY 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 0.78 2.00 -0.02 0.00 -1.26 -5.02 105.19 101.67 1lum n GLY 100 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1lum n GLY 100 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1lum n LEU 101 N 0.00 -3.12 -0.04 0.99 4.32 -1.26 -4.27 117.00 113.62 1lum n LEU 101 Ca 0.00 0.07 0.04 0.00 -0.02 0.00 0.00 56.01 56.09 1lum n LEU 101 Cb 0.00 -0.43 0.07 0.00 -1.62 0.00 0.00 43.42 41.44 1lum n LEU 101 CO 0.00 -2.97 0.13 1.33 -1.22 0.00 0.00 177.39 174.66 1lum n VAL 102 N -1.97 -0.05 -2.41 4.08 0.24 -1.26 -1.10 118.33 115.86 1lum n VAL 102 Ca -0.01 0.25 -0.03 0.00 -2.04 0.00 0.00 64.34 62.51 1lum n VAL 102 Cb 0.43 -0.41 0.05 0.00 -1.47 0.00 0.00 33.84 32.45 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 -3.36 0.00 -3.81 3.34 5.66 -1.26 -4.98 114.28 109.87 1lum n THR 103 Ca 0.04 -0.57 -0.35 0.00 -3.05 0.00 0.00 64.05 60.13 1lum n THR 103 Cb 0.15 0.76 0.03 0.00 -1.55 0.00 0.00 70.33 69.72 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 -0.88 -0.89 -3.35 1.09 1.85 -0.26 -2.78 116.66 111.43 1lum n ARG 104 Ca -0.18 0.40 -0.19 0.00 -1.00 0.00 0.00 57.85 56.88 1lum n ARG 104 Cb 0.76 -3.36 0.01 0.00 -1.05 0.00 0.00 32.46 28.81 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 -4.20 -4.47 -0.09 2.89 7.99 -1.25 -2.65 117.00 115.22 1lum n LEU 105 Ca -0.12 -0.24 -0.13 0.00 -0.01 0.00 0.00 56.01 55.51 1lum n LEU 105 Cb 0.59 -2.39 -0.01 0.00 -0.11 0.00 0.00 43.42 41.50 1lum n LEU 105 CO 0.69 -0.65 0.52 -0.09 -1.51 0.00 0.00 177.39 176.35 1lum h ARG 106 N 0.97 0.86 -0.64 3.23 1.12 -1.29 -3.35 114.38 115.29 1lum h ARG 106 Ca -0.34 -0.48 0.11 0.00 -1.11 0.00 0.00 59.98 58.16 1lum h ARG 106 Cb 1.23 0.03 -0.20 0.00 -0.01 0.00 0.00 29.97 31.02 1lum h ARG 106 CO 0.28 1.12 -0.21 -0.47 -3.11 0.00 0.00 179.97 177.58 1lum s TYR 107 N -4.29 -1.18 0.01 2.20 5.04 -0.54 -4.93 117.35 113.66 1lum s TYR 107 Ca -0.10 0.64 -0.37 0.00 -2.44 0.00 0.00 57.07 54.80 1lum s TYR 107 Cb 0.11 0.20 -0.15 0.00 0.35 0.00 0.00 41.96 42.47 1lum s TYR 107 CO 0.88 -0.70 1.52 -0.35 -1.34 0.00 0.00 175.55 175.56 1lum n PRO 108 N 5.15 1.46 -3.67 4.97 -0.04 -1.19 0.21 135.00 141.88 1lum n PRO 108 Ca 0.07 0.53 -0.37 0.00 -0.04 0.00 0.00 63.50 63.69 1lum n PRO 108 Cb 0.56 -2.23 -0.12 0.00 -0.04 0.00 0.00 33.50 31.68 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 1.51 4.83 -0.59 0.52 0.11 3.63 -4.17 120.40 126.25 1lum s VAL 109 Ca 0.87 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.95 1lum s VAL 109 Cb -0.89 -3.28 0.15 0.00 -1.53 0.00 0.00 36.38 30.82 1lum s VAL 109 CO 0.49 0.29 0.35 0.00 -3.33 0.00 0.00 175.10 172.91