#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ky4 s LYS 2 N 0.00 1.74 -0.22 0.03 -2.85 -1.26 -5.12 119.74 112.06 2ky4 s LYS 2 Ca 0.00 -0.41 -0.02 0.00 -1.00 0.00 0.00 55.97 54.54 2ky4 s LYS 2 Cb 0.00 -1.49 0.01 0.00 -2.06 0.00 0.00 37.83 34.28 2ky4 s LYS 2 CO 0.00 -0.03 -0.08 0.08 0.10 0.00 0.00 175.35 175.42 2ky4 s VAL 3 N 0.86 2.93 -0.64 1.79 1.01 -1.26 -5.09 120.40 120.01 2ky4 s VAL 3 Ca -0.11 -0.74 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 2ky4 s VAL 3 Cb -0.15 -2.36 0.06 0.00 0.00 0.00 0.00 36.38 33.94 2ky4 s VAL 3 CO 0.01 0.39 0.95 -0.36 0.00 0.00 0.00 175.10 176.09 2ky4 s PHE 4 N 1.39 2.70 0.19 5.22 0.40 -1.26 -5.02 117.98 121.61 2ky4 s PHE 4 Ca 0.04 -0.46 0.04 0.00 -0.60 0.00 0.00 56.93 55.94 2ky4 s PHE 4 Cb -0.15 -4.23 -0.05 0.00 0.51 0.00 0.00 43.02 39.11 2ky4 s PHE 4 CO -0.06 -1.58 -0.04 -1.59 0.70 0.00 0.00 175.22 172.65 2ky4 s LYS 5 N 4.00 1.18 -0.78 0.44 0.00 -1.26 -1.18 119.74 122.13 2ky4 s LYS 5 Ca 0.23 -1.56 -0.26 0.00 0.00 0.00 0.00 55.97 54.38 2ky4 s LYS 5 Cb -0.16 -0.55 0.03 0.00 0.00 0.00 0.00 37.83 37.15 2ky4 s LYS 5 CO 0.12 -0.04 1.34 0.50 0.00 0.00 0.00 175.35 177.27 2ky4 s ARG 6 N -3.83 3.23 0.06 1.78 6.06 -0.90 -5.00 118.95 120.35 2ky4 s ARG 6 Ca 0.23 -0.35 -0.30 0.00 -2.50 0.00 0.00 55.73 52.81 2ky4 s ARG 6 Cb 0.05 -4.39 -0.05 0.00 0.06 0.00 0.00 34.95 30.61 2ky4 s ARG 6 CO 0.05 -2.20 1.13 0.08 -2.50 0.00 0.00 175.30 171.86 2ky4 s VAL 7 N 5.80 4.21 -1.02 7.11 1.01 -1.26 -4.93 120.40 131.31 2ky4 s VAL 7 Ca 0.39 1.62 -0.22 0.00 0.00 0.00 0.00 61.98 63.77 2ky4 s VAL 7 Cb -0.07 -4.04 -0.11 0.00 0.00 0.00 0.00 36.38 32.16 2ky4 s VAL 7 CO 0.11 0.14 1.92 0.00 0.00 0.00 0.00 175.10 177.28 2ky4 n ALA 8 N 3.73 2.55 0.00 5.51 0.00 -1.26 -2.40 120.51 128.65 2ky4 n ALA 8 Ca 0.07 -3.19 0.00 0.00 0.00 0.00 0.00 53.44 50.32 2ky4 n ALA 8 Cb 0.47 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.37 2ky4 n ALA 8 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ky4 n GLY 9 N 5.23 1.80 3.58 0.00 0.00 -1.26 -5.08 105.19 109.46 2ky4 n GLY 9 Ca 0.47 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.99 2ky4 n GLY 9 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ky4 s ILE 10 N 0.00 3.86 -2.00 -0.61 -1.09 -1.01 -4.75 121.20 115.60 2ky4 s ILE 10 Ca 0.00 -1.44 0.11 0.00 -2.23 0.00 0.00 60.65 57.09 2ky4 s ILE 10 Cb 0.00 -4.91 0.31 0.00 -1.58 0.00 0.00 42.46 36.28 2ky4 s ILE 10 CO 0.00 -1.56 1.26 2.29 -1.23 0.00 0.00 174.94 175.70 2ky4 n LYS 11 N 8.37 1.82 -2.23 2.79 2.85 -1.26 -4.75 118.16 125.74 2ky4 n LYS 11 Ca 0.47 -1.27 -0.42 0.00 -1.05 0.00 0.00 58.31 56.03 2ky4 n LYS 11 Cb 0.46 -1.28 -0.03 0.00 -0.65 0.00 0.00 35.03 33.54 2ky4 n LYS 11 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2ky4 s ASP 12 N -1.00 6.86 0.52 -5.58 1.11 -1.26 -4.91 116.67 112.41 2ky4 s ASP 12 Ca 0.24 2.14 0.17 0.00 0.18 0.00 0.00 52.55 55.28 2ky4 s ASP 12 Cb 0.12 -2.57 1.30 0.00 1.07 0.00 0.00 42.92 42.85 2ky4 s ASP 12 CO 0.16 -0.69 2.14 0.11 1.18 0.00 0.00 175.17 178.07 2ky4 h LYS 13 N 7.62 0.00 0.04 8.23 1.79 -1.94 -0.81 116.57 131.50 2ky4 h LYS 13 Ca -0.39 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.08 2ky4 h LYS 13 Cb 1.18 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2ky4 h LYS 13 CO 0.89 0.02 -0.02 0.00 -1.08 0.00 0.00 179.45 179.26 2ky4 h ALA 14 N 1.98 -0.05 -0.76 3.86 0.00 -1.99 -2.50 119.26 119.79 2ky4 h ALA 14 Ca -0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2ky4 h ALA 14 Cb 0.04 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 2ky4 h ALA 14 CO 0.00 -0.37 0.29 0.00 0.00 0.00 0.00 179.25 179.18 2ky4 h ALA 15 N 0.57 1.09 -0.08 0.00 0.00 -1.74 -2.06 119.26 117.04 2ky4 h ALA 15 Ca -0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ky4 h ALA 15 Cb 0.34 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 2ky4 h ALA 15 CO 0.01 0.64 0.03 0.82 0.00 0.00 0.00 179.25 180.75 2ky4 h ILE 16 N 1.10 1.14 0.00 0.00 1.08 -1.22 -1.84 117.51 117.78 2ky4 h ILE 16 Ca 0.25 -0.42 -0.07 0.00 -0.39 0.00 0.00 64.86 64.24 2ky4 h ILE 16 Cb 0.22 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 2ky4 h ILE 16 CO -0.02 0.12 -0.31 0.07 -0.69 0.00 0.00 178.15 177.32 2ky4 h LYS 17 N -0.03 0.00 -0.56 2.37 2.10 -1.42 -0.68 116.57 118.35 2ky4 h LYS 17 Ca 0.03 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.59 2ky4 h LYS 17 Cb 0.17 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.47 2ky4 h LYS 17 CO -0.00 0.31 0.01 1.15 -2.00 0.00 0.00 179.45 178.92 2ky4 h THR 18 N 0.00 1.26 -0.65 0.07 2.02 -1.31 0.14 112.91 114.45 2ky4 h THR 18 Ca -0.00 -1.09 -0.08 0.00 0.77 0.00 0.00 66.41 66.01 2ky4 h THR 18 Cb 0.85 0.82 -0.03 0.00 -1.74 0.00 0.00 68.15 68.06 2ky4 h THR 18 CO 0.04 0.39 0.09 0.25 0.37 0.00 0.00 175.52 176.66 2ky4 h LEU 19 N 0.88 1.04 -0.37 2.58 6.46 -0.76 -1.19 115.31 123.94 2ky4 h LEU 19 Ca 0.16 -0.27 -0.06 0.00 -0.12 0.00 0.00 57.88 57.60 2ky4 h LEU 19 Cb 0.51 -0.28 -0.01 0.00 -0.73 0.00 0.00 40.66 40.15 2ky4 h LEU 19 CO 0.03 1.05 -0.00 0.40 -0.62 0.00 0.00 178.44 179.29 2ky4 h ILE 20 N 1.00 1.26 -0.19 4.05 2.04 -1.04 -2.09 117.51 122.53 2ky4 h ILE 20 Ca 0.19 -1.00 -0.15 0.00 1.00 0.00 0.00 64.86 64.91 2ky4 h ILE 20 Cb 0.46 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 2ky4 h ILE 20 CO 0.02 0.33 -0.49 0.28 0.00 0.00 0.00 178.15 178.29 2ky4 h SER 21 N 0.48 0.56 -0.58 1.72 0.02 -0.92 -2.26 113.55 112.56 2ky4 h SER 21 Ca 0.10 -0.27 -0.06 0.00 -0.84 0.00 0.00 61.79 60.72 2ky4 h SER 21 Cb 0.47 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2ky4 h SER 21 CO 0.02 0.95 0.15 0.00 -1.14 0.00 0.00 176.83 176.82 2ky4 h ALA 22 N 1.06 1.11 -0.67 3.77 0.00 -1.22 -0.12 119.26 123.20 2ky4 h ALA 22 Ca 0.02 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 2ky4 h ALA 22 Cb 1.00 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2ky4 h ALA 22 CO 0.09 0.60 0.28 0.00 0.00 0.00 0.00 179.25 180.22 2ky4 h ALA 23 N 1.25 0.87 -0.28 0.00 0.00 -1.14 -2.28 119.26 117.68 2ky4 h ALA 23 Ca 0.20 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 2ky4 h ALA 23 Cb 0.32 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ky4 h ALA 23 CO -0.00 0.48 -0.46 1.88 0.00 0.00 0.00 179.25 181.15 2ky4 h TYR 24 N 0.95 1.01 -0.55 0.00 0.05 -1.29 -2.24 116.97 114.89 2ky4 h TYR 24 Ca 0.23 -0.35 -0.01 0.00 0.05 0.00 0.00 58.73 58.65 2ky4 h TYR 24 Cb 0.19 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 37.70 2ky4 h TYR 24 CO 0.01 1.15 0.31 0.00 -1.05 0.00 0.00 178.16 178.59 2ky4 h ARG 25 N 0.58 0.75 0.00 4.88 2.47 -0.94 -1.47 114.38 120.65 2ky4 h ARG 25 Ca 0.02 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2ky4 h ARG 25 Cb 1.06 -0.16 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 2ky4 h ARG 25 CO 0.10 0.54 -0.00 0.37 0.56 0.00 0.00 179.97 181.55 2ky4 h GLN 26 N 0.76 0.00 0.28 0.04 -0.00 -1.44 -3.27 115.11 111.49 2ky4 h GLN 26 Ca 0.20 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.83 2ky4 h GLN 26 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 2ky4 h GLN 26 CO -0.03 0.00 -0.14 0.82 0.00 0.00 0.00 178.83 179.48 2ky4 h ILE 27 N -0.71 0.73 0.00 2.39 2.04 -1.46 -3.14 117.51 117.36 2ky4 h ILE 27 Ca 0.00 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2ky4 h ILE 27 Cb 0.00 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2ky4 h ILE 27 CO 0.00 0.12 0.00 0.49 0.00 0.00 0.00 178.15 178.76 2ky4 n PHE 28 N -5.12 0.00 -3.78 1.37 3.01 -0.56 -4.94 117.46 107.44 2ky4 n PHE 28 Ca -0.09 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.12 2ky4 n PHE 28 Cb 0.26 -0.42 0.03 0.00 -0.01 0.00 0.00 39.48 39.34 2ky4 n PHE 28 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 2ky4 n GLU 29 N -1.42 -5.25 -3.69 -1.08 4.07 -1.19 -4.97 120.64 107.11 2ky4 n GLU 29 Ca 0.09 0.62 -0.11 0.00 -0.06 0.00 0.00 57.16 57.70 2ky4 n GLU 29 Cb 0.29 -5.32 -0.00 0.00 -0.06 0.00 0.00 31.44 26.34 2ky4 n GLU 29 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2ky4 n ARG 30 N -4.46 0.83 -3.93 5.31 1.85 -1.25 -4.45 116.66 110.57 2ky4 n ARG 30 Ca -0.16 -2.35 -0.30 0.00 -1.00 0.00 0.00 57.85 54.04 2ky4 n ARG 30 Cb 0.61 2.53 -0.15 0.00 -1.05 0.00 0.00 32.46 34.40 2ky4 n ARG 30 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2ky4 s ASP 31 N -2.96 3.96 0.04 2.89 -1.08 -1.26 -3.82 116.67 114.43 2ky4 s ASP 31 Ca 0.21 -1.32 -0.17 0.00 -0.52 0.00 0.00 52.55 50.75 2ky4 s ASP 31 Cb -0.03 -1.19 -0.06 0.00 -1.46 0.00 0.00 42.92 40.18 2ky4 s ASP 31 CO 0.16 -0.27 0.50 -0.63 0.52 0.00 0.00 175.17 175.45 2ky4 s ILE 32 N 1.37 4.86 0.27 4.11 1.01 -1.26 -5.00 121.20 126.57 2ky4 s ILE 32 Ca -0.02 1.06 -0.30 0.00 0.00 0.00 0.00 60.65 61.39 2ky4 s ILE 32 Cb -0.19 -3.82 -0.10 0.00 0.01 0.00 0.00 42.46 38.36 2ky4 s ILE 32 CO -0.08 0.56 1.36 0.00 0.00 0.00 0.00 174.94 176.78 2ky4 s ALA 33 N -1.07 3.56 0.25 9.38 0.00 -1.26 -4.90 121.76 127.72 2ky4 s ALA 33 Ca 0.27 1.26 -0.03 0.00 0.00 0.00 0.00 51.96 53.46 2ky4 s ALA 33 Cb -0.18 -3.51 0.51 0.00 0.00 0.00 0.00 23.12 19.94 2ky4 s ALA 33 CO 0.17 -0.66 1.72 -1.35 0.00 0.00 0.00 175.76 175.63 2ky4 h PRO 34 N 4.51 0.41 -0.31 0.00 0.11 -2.01 -1.36 132.00 133.37 2ky4 h PRO 34 Ca -0.47 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 2ky4 h PRO 34 Cb 1.22 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2ky4 h PRO 34 CO 0.73 0.27 -0.05 0.10 -0.21 0.00 0.00 178.00 178.85 2ky4 h TYR 35 N 0.43 0.64 -0.67 0.65 -0.00 -1.99 -2.88 116.97 113.15 2ky4 h TYR 35 Ca 0.44 -0.13 0.04 0.00 0.00 0.00 0.00 58.73 59.09 2ky4 h TYR 35 Cb 0.71 -0.16 -0.05 0.00 0.00 0.00 0.00 36.73 37.24 2ky4 h TYR 35 CO -0.17 0.74 0.40 0.82 -0.00 0.00 0.00 178.16 179.95 2ky4 h ILE 36 N 0.35 1.04 -0.23 -0.90 2.04 -1.65 -1.01 117.51 117.15 2ky4 h ILE 36 Ca 0.08 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.70 2ky4 h ILE 36 Cb 0.52 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 2ky4 h ILE 36 CO 0.03 0.14 0.11 0.00 0.00 0.00 0.00 178.15 178.42 2ky4 h ALA 37 N 1.31 0.28 0.00 1.87 0.00 -1.46 -2.48 119.26 118.78 2ky4 h ALA 37 Ca 0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2ky4 h ALA 37 Cb 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2ky4 h ALA 37 CO -0.14 -0.30 -0.06 0.00 0.00 0.00 0.00 179.25 178.76 2ky4 n GLN 38 N -5.00 0.12 -0.01 0.00 10.64 -1.05 -1.25 117.38 120.82 2ky4 n GLN 38 Ca -0.02 0.09 -0.17 0.00 -1.83 0.00 0.00 57.00 55.07 2ky4 n GLN 38 Cb 0.07 -1.63 -0.14 0.00 -0.86 0.00 0.00 30.24 27.68 2ky4 n GLN 38 CO 0.00 0.00 0.00 -0.91 -1.83 0.00 0.00 177.06 174.32 2ky4 h ASN 39 N 0.00 0.23 -0.21 2.61 2.35 -0.97 -2.82 115.58 116.77 2ky4 h ASN 39 Ca 0.00 -0.97 -0.14 0.00 -0.55 0.00 0.00 56.30 54.64 2ky4 h ASN 39 Cb 0.61 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.90 2ky4 h ASN 39 CO 0.00 1.21 -0.43 -0.33 -1.65 0.00 0.00 177.43 176.23 2ky4 h GLU 40 N -0.69 0.66 -2.07 0.81 5.08 -1.49 -3.32 114.58 113.57 2ky4 h GLU 40 Ca -0.08 -0.43 -0.73 0.00 -1.00 0.00 0.00 59.36 57.11 2ky4 h GLU 40 Cb 1.33 0.06 -0.31 0.00 0.50 0.00 0.00 28.75 30.32 2ky4 h GLU 40 CO 0.07 1.05 0.56 1.19 -1.00 0.00 0.00 179.01 180.88 2ky4 n PHE 41 N -4.20 3.12 0.02 4.33 3.72 -0.38 -4.83 117.46 119.24 2ky4 n PHE 41 Ca -0.06 -2.76 -0.13 0.00 -0.05 0.00 0.00 57.45 54.46 2ky4 n PHE 41 Cb 0.56 -0.94 -0.08 0.00 -0.94 0.00 0.00 39.48 38.07 2ky4 n PHE 41 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2ky4 h SER 42 N 3.38 -0.02 -0.25 4.37 0.02 -1.60 -1.84 113.55 117.61 2ky4 h SER 42 Ca 0.46 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 61.03 2ky4 h SER 42 Cb 0.32 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 2ky4 h SER 42 CO 1.17 0.20 -0.48 1.23 -1.14 0.00 0.00 176.83 177.81 2ky4 h GLY 43 N -0.24 0.90 1.00 -3.77 0.00 -1.88 -3.31 103.07 95.77 2ky4 h GLY 43 Ca -0.00 -1.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.20 2ky4 h GLY 43 CO 0.00 0.90 -0.35 -0.25 0.00 0.00 0.00 176.54 176.84 2ky4 h TRP 44 N 0.65 0.89 -0.86 5.60 -0.00 -1.90 -1.76 115.95 118.56 2ky4 h TRP 44 Ca 0.03 -0.28 -0.03 0.00 -0.00 0.00 0.00 58.89 58.61 2ky4 h TRP 44 Cb 1.07 -0.18 -0.04 0.00 -0.00 0.00 0.00 29.16 30.01 2ky4 h TRP 44 CO 0.06 1.05 0.43 1.49 -0.00 0.00 0.00 178.44 181.48 2ky4 h GLU 45 N 0.47 1.22 -0.20 2.65 4.81 -1.50 -3.04 114.58 118.98 2ky4 h GLU 45 Ca 0.04 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 2ky4 h GLU 45 Cb 0.93 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 2ky4 h GLU 45 CO 0.08 0.91 0.09 0.77 -0.73 0.00 0.00 179.01 180.14 2ky4 h SER 46 N 1.21 0.27 -0.54 1.04 0.02 -1.58 -1.07 113.55 112.90 2ky4 h SER 46 Ca 0.30 -0.14 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 2ky4 h SER 46 Cb 0.08 -0.07 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2ky4 h SER 46 CO -0.04 0.34 0.34 0.11 -1.14 0.00 0.00 176.83 176.43 2ky4 h LYS 47 N 0.19 0.65 -0.04 3.45 1.79 -1.28 -0.88 116.57 120.46 2ky4 h LYS 47 Ca 0.07 -0.04 -0.18 0.00 -2.18 0.00 0.00 60.65 58.32 2ky4 h LYS 47 Cb 0.14 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.64 2ky4 h LYS 47 CO -0.01 0.43 -0.75 1.25 -1.08 0.00 0.00 179.45 179.30 2ky4 h LEU 48 N 0.67 0.31 -1.63 2.94 5.85 -1.54 -1.61 115.31 120.31 2ky4 h LEU 48 Ca 0.21 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 2ky4 h LEU 48 Cb -0.01 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.92 2ky4 h LEU 48 CO -0.08 0.95 -0.20 1.23 -0.34 0.00 0.00 178.44 180.00 2ky4 h GLY 49 N 1.58 0.00 0.77 3.75 0.00 -0.77 -2.67 103.07 105.73 2ky4 h GLY 49 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2ky4 h GLY 49 CO 0.12 0.00 -1.07 0.70 0.00 0.00 0.00 176.54 176.28 2ky4 n ASN 50 N -3.82 0.65 -0.48 0.19 3.02 -0.37 -5.00 115.26 109.45 2ky4 n ASN 50 Ca -0.02 0.09 -0.04 0.00 -0.03 0.00 0.00 54.58 54.58 2ky4 n ASN 50 Cb 0.30 0.70 -0.00 0.00 -0.61 0.00 0.00 39.78 40.17 2ky4 n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2ky4 n GLY 51 N 1.27 0.27 0.16 7.41 0.00 -0.68 -4.96 105.19 108.66 2ky4 n GLY 51 Ca 0.01 -0.73 0.04 0.00 0.00 0.00 0.00 46.02 45.34 2ky4 n GLY 51 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ky4 h GLU 52 N 0.00 0.00 -5.50 1.61 5.08 -1.65 -3.45 114.58 110.67 2ky4 h GLU 52 Ca -0.10 0.00 -0.60 0.00 -1.00 0.00 0.00 59.36 57.66 2ky4 h GLU 52 Cb 0.96 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.08 2ky4 h GLU 52 CO 0.13 0.43 -0.59 0.96 -1.00 0.00 0.00 179.01 178.94 2ky4 s ILE 53 N -3.25 1.69 0.63 3.13 -0.00 -1.26 -5.09 121.20 117.05 2ky4 s ILE 53 Ca 0.02 -2.00 -0.02 0.00 -0.00 0.00 0.00 60.65 58.65 2ky4 s ILE 53 Cb 0.09 -2.86 0.05 0.00 -0.00 0.00 0.00 42.46 39.74 2ky4 s ILE 53 CO 0.71 0.00 0.89 0.42 -0.00 0.00 0.00 174.94 176.96 2ky4 s THR 54 N -2.88 2.47 0.43 8.37 -4.23 -1.26 -4.87 115.64 113.67 2ky4 s THR 54 Ca 0.32 -0.48 0.09 0.00 -1.18 0.00 0.00 61.69 60.44 2ky4 s THR 54 Cb 0.09 -2.99 0.27 0.00 1.34 0.00 0.00 72.50 71.21 2ky4 s THR 54 CO 0.16 0.00 2.06 0.58 -0.54 0.00 0.00 174.62 176.88 2ky4 h VAL 55 N -0.25 1.07 -0.59 2.29 2.07 -1.79 -2.84 116.25 116.21 2ky4 h VAL 55 Ca -0.43 -0.16 0.09 0.00 0.82 0.00 0.00 66.70 67.02 2ky4 h VAL 55 Cb 1.30 0.55 -0.11 0.00 -1.52 0.00 0.00 31.29 31.52 2ky4 h VAL 55 CO 0.55 0.09 -0.45 0.50 0.02 0.00 0.00 177.57 178.28 2ky4 h LYS 56 N 0.47 -0.22 -0.41 1.57 3.64 -1.68 -1.01 116.57 118.93 2ky4 h LYS 56 Ca 0.15 0.01 -0.14 0.00 -1.27 0.00 0.00 60.65 59.40 2ky4 h LYS 56 Cb 0.02 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.88 2ky4 h LYS 56 CO -0.03 -0.14 -0.28 0.93 -2.27 0.00 0.00 179.45 177.65 2ky4 h GLU 57 N -0.23 0.92 -0.19 1.90 4.39 -1.82 -1.88 114.58 117.67 2ky4 h GLU 57 Ca 0.18 -0.44 0.05 0.00 0.34 0.00 0.00 59.36 59.49 2ky4 h GLU 57 Cb 0.56 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.15 2ky4 h GLU 57 CO -0.70 1.10 -0.17 0.35 -1.16 0.00 0.00 179.01 178.43 2ky4 h PHE 58 N 0.75 -0.42 -0.69 4.33 3.57 -1.39 -2.06 116.94 121.02 2ky4 h PHE 58 Ca 0.08 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.65 2ky4 h PHE 58 Cb 0.86 0.22 -0.05 0.00 2.79 0.00 0.00 35.95 39.77 2ky4 h PHE 58 CO 0.06 -0.24 0.42 0.82 -2.23 0.00 0.00 178.31 177.14 2ky4 h ILE 59 N -0.18 1.05 -0.25 1.41 1.08 -1.03 -2.55 117.51 117.04 2ky4 h ILE 59 Ca 0.12 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.33 2ky4 h ILE 59 Cb 0.35 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 2ky4 h ILE 59 CO -0.30 0.15 0.13 -0.08 -0.69 0.00 0.00 178.15 177.35 2ky4 h GLU 60 N 0.80 0.26 0.00 2.37 4.81 -1.04 -2.19 114.58 119.58 2ky4 h GLU 60 Ca 0.29 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.51 2ky4 h GLU 60 Cb 0.09 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2ky4 h GLU 60 CO -0.14 0.17 0.00 0.78 -0.73 0.00 0.00 179.01 179.09 2ky4 h GLY 61 N 0.27 0.00 1.94 1.92 0.00 -1.12 -1.87 103.07 104.20 2ky4 h GLY 61 Ca 0.10 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.31 2ky4 h GLY 61 CO -0.07 0.00 -0.53 1.41 0.00 0.00 0.00 176.54 177.35 2ky4 h LEU 62 N 0.00 0.07 -0.06 3.11 3.38 -0.98 -2.55 115.31 118.26 2ky4 h LEU 62 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ky4 h LEU 62 Cb 0.24 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2ky4 h LEU 62 CO 0.00 0.59 0.00 0.61 0.09 0.00 0.00 178.44 179.73 2ky4 n GLY 63 N 0.03 -1.22 0.17 0.83 0.00 -0.71 -2.95 105.19 101.34 2ky4 n GLY 63 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.07 2ky4 n GLY 63 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2ky4 n TYR 64 N -1.61 0.00 -2.97 1.61 4.02 -0.97 -4.75 117.16 112.49 2ky4 n TYR 64 Ca 0.05 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.54 2ky4 n TYR 64 Cb 0.24 -0.09 -0.05 0.00 -0.02 0.00 0.00 39.34 39.42 2ky4 n TYR 64 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 2ky4 s SER 65 N -2.77 7.32 0.58 7.72 1.04 -1.15 -4.96 113.70 121.47 2ky4 s SER 65 Ca 0.15 1.57 0.33 0.00 0.48 0.00 0.00 55.95 58.47 2ky4 s SER 65 Cb 0.18 -2.49 1.80 0.00 0.10 0.00 0.00 66.02 65.61 2ky4 s SER 65 CO 0.69 0.11 2.20 -1.13 0.98 0.00 0.00 173.24 176.09 2ky4 h ASN 66 N 4.97 0.00 -0.35 7.02 -1.24 -1.94 -2.01 115.58 122.03 2ky4 h ASN 66 Ca -0.45 0.00 -0.11 0.00 0.71 0.00 0.00 56.30 56.44 2ky4 h ASN 66 Cb 1.21 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.24 2ky4 h ASN 66 CO 0.68 0.04 -0.19 0.25 -1.29 0.00 0.00 177.43 176.92 2ky4 h LEU 67 N 0.00 0.84 -0.05 0.34 5.85 -1.93 -1.20 115.31 119.17 2ky4 h LEU 67 Ca -0.00 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.32 2ky4 h LEU 67 Cb 0.15 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 40.96 2ky4 h LEU 67 CO 0.01 1.01 -0.38 0.22 -0.34 0.00 0.00 178.44 178.96 2ky4 h TYR 68 N 0.73 0.47 -0.67 1.25 3.20 -1.67 -3.35 116.97 116.94 2ky4 h TYR 68 Ca 0.10 -0.23 0.07 0.00 3.14 0.00 0.00 58.73 61.82 2ky4 h TYR 68 Cb 0.71 -0.07 -0.06 0.00 1.54 0.00 0.00 36.73 38.86 2ky4 h TYR 68 CO 0.04 0.99 0.35 -0.07 -1.64 0.00 0.00 178.16 177.84 2ky4 h LEU 69 N -0.18 0.50 -1.44 2.82 -0.00 -1.30 -0.57 115.31 115.14 2ky4 h LEU 69 Ca -0.04 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 57.83 2ky4 h LEU 69 Cb 1.06 -0.05 -0.01 0.00 -0.00 0.00 0.00 40.66 41.67 2ky4 h LEU 69 CO 0.08 0.31 -0.28 0.07 -0.00 0.00 0.00 178.44 178.62 2ky4 h LYS 70 N 0.64 0.00 0.06 1.13 2.10 -1.38 -1.39 116.57 117.73 2ky4 h LYS 70 Ca 0.31 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.61 2ky4 h LYS 70 Cb 0.25 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.54 2ky4 h LYS 70 CO -0.21 0.28 -2.08 0.39 -2.00 0.00 0.00 179.45 175.83 2ky4 n GLU 71 N -4.16 0.70 -1.33 0.07 -0.58 -0.89 -4.28 120.64 110.16 2ky4 n GLU 71 Ca -0.02 0.22 0.01 0.00 -0.42 0.00 0.00 57.16 56.94 2ky4 n GLU 71 Cb 0.33 -1.67 0.10 0.00 -0.57 0.00 0.00 31.44 29.64 2ky4 n GLU 71 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 2ky4 n PHE 72 N -3.26 0.51 0.10 -0.32 3.72 -0.27 -4.71 117.46 113.23 2ky4 n PHE 72 Ca -0.32 -1.33 0.00 0.00 -0.05 0.00 0.00 57.45 55.75 2ky4 n PHE 72 Cb 1.05 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.36 2ky4 n PHE 72 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2ky4 n TYR 73 N -0.47 -2.52 -0.10 1.38 9.36 -1.01 -4.66 117.16 119.14 2ky4 n TYR 73 Ca 0.17 0.55 -0.12 0.00 3.32 0.00 0.00 57.90 61.82 2ky4 n TYR 73 Cb 0.89 1.47 -0.04 0.00 -0.63 0.00 0.00 39.34 41.04 2ky4 n TYR 73 CO 0.00 0.00 0.00 1.15 0.22 0.00 0.00 176.86 178.23 2ky4 h THR 74 N 0.00 1.29 -0.06 2.97 2.02 -1.47 -3.02 112.91 114.64 2ky4 h THR 74 Ca 0.00 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 65.96 2ky4 h THR 74 Cb 0.00 1.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2ky4 h THR 74 CO 0.00 0.39 0.00 -0.81 0.37 0.00 0.00 175.52 175.47 2ky4 n PRO 75 N -4.40 1.17 -4.52 6.66 -0.04 -1.26 -4.86 135.00 127.75 2ky4 n PRO 75 Ca -0.03 -0.26 -0.21 0.00 -0.04 0.00 0.00 63.50 62.96 2ky4 n PRO 75 Cb 0.37 -1.16 -0.15 0.00 -0.04 0.00 0.00 33.50 32.52 2ky4 n PRO 75 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 2ky4 s TYR 76 N -1.92 1.18 1.03 0.54 2.02 -1.14 -5.12 117.35 113.94 2ky4 s TYR 76 Ca 0.15 -0.26 -0.12 0.00 -0.37 0.00 0.00 57.07 56.47 2ky4 s TYR 76 Cb 0.07 -0.74 0.21 0.00 -0.40 0.00 0.00 41.96 41.10 2ky4 s TYR 76 CO 0.11 -0.01 1.07 -1.25 -1.57 0.00 0.00 175.55 173.91 2ky4 s PRO 77 N -0.54 0.14 0.27 -1.71 0.04 -1.26 -4.78 135.00 127.16 2ky4 s PRO 77 Ca 0.04 0.80 -0.01 0.00 0.04 0.00 0.00 61.00 61.87 2ky4 s PRO 77 Cb -0.06 -1.68 0.47 0.00 0.04 0.00 0.00 34.50 33.27 2ky4 s PRO 77 CO -0.00 -3.00 1.84 -0.91 0.04 0.00 0.00 177.00 174.97 2ky4 h ASN 78 N -2.10 0.89 -0.46 6.66 4.21 -2.01 -1.81 115.58 120.96 2ky4 h ASN 78 Ca -0.55 0.04 -0.08 0.00 1.21 0.00 0.00 56.30 56.92 2ky4 h ASN 78 Cb 1.32 -0.14 -0.02 0.00 -1.12 0.00 0.00 38.32 38.36 2ky4 h ASN 78 CO 0.53 0.51 -0.01 0.74 -1.29 0.00 0.00 177.43 177.90 2ky4 h THR 79 N 0.99 1.26 -0.23 2.81 2.02 -1.94 -3.14 112.91 114.69 2ky4 h THR 79 Ca 0.45 -1.08 -0.04 0.00 0.77 0.00 0.00 66.41 66.51 2ky4 h THR 79 Cb 0.36 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2ky4 h THR 79 CO -0.23 0.37 -0.05 0.50 0.37 0.00 0.00 175.52 176.48 2ky4 h LYS 80 N 0.67 0.35 -0.05 6.66 1.63 -1.69 -1.98 116.57 122.17 2ky4 h LYS 80 Ca 0.13 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.83 2ky4 h LYS 80 Cb 0.52 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.09 2ky4 h LYS 80 CO 0.03 0.42 -0.13 0.28 -3.45 0.00 0.00 179.45 176.59 2ky4 h VAL 81 N 0.34 1.12 0.06 2.00 2.07 -1.42 -2.23 116.25 118.19 2ky4 h VAL 81 Ca 0.07 -0.56 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 2ky4 h VAL 81 Cb 0.31 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2ky4 h VAL 81 CO 0.01 0.17 -0.03 0.40 0.02 0.00 0.00 177.57 178.14 2ky4 h ILE 82 N 0.07 1.23 -0.15 4.57 2.04 -1.32 0.24 117.51 124.18 2ky4 h ILE 82 Ca 0.01 -1.09 -0.08 0.00 1.00 0.00 0.00 64.86 64.71 2ky4 h ILE 82 Cb 0.28 1.93 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2ky4 h ILE 82 CO 0.02 0.27 -0.22 1.05 0.00 0.00 0.00 178.15 179.27 2ky4 h GLU 83 N -0.58 0.42 0.00 2.37 4.11 -1.54 -0.70 114.58 118.66 2ky4 h GLU 83 Ca -0.01 -0.24 -0.02 0.00 0.07 0.00 0.00 59.36 59.16 2ky4 h GLU 83 Cb 0.50 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 2ky4 h GLU 83 CO 0.01 0.83 -0.08 -0.07 0.07 0.00 0.00 179.01 179.77 2ky4 h LEU 84 N 0.04 0.00 -0.15 3.06 3.38 -1.51 -2.05 115.31 118.08 2ky4 h LEU 84 Ca 0.02 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 2ky4 h LEU 84 Cb 0.78 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.54 2ky4 h LEU 84 CO 0.05 0.08 -0.62 1.23 0.09 0.00 0.00 178.44 179.27 2ky4 h GLY 85 N 0.29 0.75 0.78 0.83 0.00 -0.35 -2.94 103.07 102.42 2ky4 h GLY 85 Ca -0.00 -1.03 -0.06 0.00 0.00 0.00 0.00 47.33 46.24 2ky4 h GLY 85 CO 0.01 0.92 -0.11 -0.84 0.00 0.00 0.00 176.54 176.52 2ky4 h THR 86 N 0.37 1.32 0.00 4.70 2.02 -0.91 -1.52 112.91 118.89 2ky4 h THR 86 Ca -0.04 -1.21 -0.05 0.00 0.77 0.00 0.00 66.41 65.89 2ky4 h THR 86 Cb 1.25 1.74 -0.01 0.00 -1.74 0.00 0.00 68.15 69.40 2ky4 h THR 86 CO 0.13 0.36 -0.23 0.07 0.37 0.00 0.00 175.52 176.22 2ky4 h LYS 87 N 0.05 0.00 0.07 6.66 2.10 -1.49 0.42 116.57 124.39 2ky4 h LYS 87 Ca 0.03 0.00 -0.29 0.00 -2.00 0.00 0.00 60.65 58.40 2ky4 h LYS 87 Cb 0.61 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.92 2ky4 h LYS 87 CO 0.03 0.23 -1.49 0.45 -2.00 0.00 0.00 179.45 176.67 2ky4 h HIS 88 N 0.00 0.27 0.00 0.07 3.86 -1.54 -3.25 115.15 114.56 2ky4 h HIS 88 Ca -0.00 -0.20 -0.32 0.00 -1.16 0.00 0.00 60.37 58.69 2ky4 h HIS 88 Cb 0.70 -0.01 -0.06 0.00 1.06 0.00 0.00 27.41 29.11 2ky4 h HIS 88 CO 0.00 1.24 -2.18 1.19 0.86 0.00 0.00 177.93 179.04 2ky4 n PHE 89 N -3.35 0.00 0.55 2.45 3.01 -0.57 -4.60 117.46 114.96 2ky4 n PHE 89 Ca -0.14 0.00 0.11 0.00 1.01 0.00 0.00 57.45 58.43 2ky4 n PHE 89 Cb 1.03 -0.79 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 2ky4 n PHE 89 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 2ky4 n LEU 90 N -3.28 0.60 -0.68 4.37 4.77 0.11 -4.72 117.00 118.18 2ky4 n LEU 90 Ca -0.38 -0.04 -0.06 0.00 -0.03 0.00 0.00 56.01 55.50 2ky4 n LEU 90 Cb 0.87 -0.09 -0.03 0.00 -2.33 0.00 0.00 43.42 41.85 2ky4 n LEU 90 CO 0.17 0.05 -0.06 0.61 -1.33 0.00 0.00 177.39 176.83 2ky4 n GLY 91 N 1.37 0.59 0.00 -0.72 0.00 0.86 -4.82 105.19 102.47 2ky4 n GLY 91 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2ky4 n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2ky4 n ARG 92 N -0.61 0.00 0.00 1.61 0.63 -1.24 -2.28 116.66 114.77 2ky4 n ARG 92 Ca -0.06 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.87 2ky4 n ARG 92 Cb 0.35 -0.02 0.00 0.00 0.45 0.00 0.00 32.46 33.24 2ky4 n ARG 92 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2ky4 n ALA 93 N -2.17 0.00 -2.05 5.13 0.00 -1.26 -4.91 120.51 115.25 2ky4 n ALA 93 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2ky4 n ALA 93 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2ky4 n ALA 93 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2ky4 s PRO 94 N -0.71 4.21 -0.05 0.00 0.04 -1.26 -4.97 135.00 132.26 2ky4 s PRO 94 Ca 0.00 2.17 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 2ky4 s PRO 94 Cb 0.00 -3.75 -0.02 0.00 0.04 0.00 0.00 34.50 30.77 2ky4 s PRO 94 CO 0.00 -0.74 0.19 0.82 0.04 0.00 0.00 177.00 177.31 2ky4 h ILE 95 N 5.17 0.00 -3.14 0.56 2.04 -2.00 -3.50 117.51 116.64 2ky4 h ILE 95 Ca -0.40 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 64.91 2ky4 h ILE 95 Cb 1.18 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 37.18 2ky4 h ILE 95 CO 0.93 0.00 0.14 -0.62 0.00 0.00 0.00 178.15 178.61 2ky4 s ASP 96 N -4.51 -0.31 0.44 1.72 2.15 -1.26 -5.03 116.67 109.88 2ky4 s ASP 96 Ca -0.02 -0.48 0.19 0.00 0.43 0.00 0.00 52.55 52.67 2ky4 s ASP 96 Cb 0.00 0.65 1.02 0.00 -0.30 0.00 0.00 42.92 44.30 2ky4 s ASP 96 CO 0.05 -1.17 1.94 -0.61 -0.17 0.00 0.00 175.17 175.20 2ky4 h GLN 97 N 2.07 0.00 -0.25 4.34 5.75 -1.98 -0.80 115.11 124.25 2ky4 h GLN 97 Ca -0.25 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.08 2ky4 h GLN 97 Cb 1.27 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.81 2ky4 h GLN 97 CO 0.31 0.24 -0.53 0.00 -2.65 0.00 0.00 178.83 176.20 2ky4 h ALA 98 N 1.76 0.59 -0.30 3.38 0.00 -1.98 0.18 119.26 122.88 2ky4 h ALA 98 Ca -0.00 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.37 2ky4 h ALA 98 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2ky4 h ALA 98 CO 0.03 0.68 0.06 1.49 0.00 0.00 0.00 179.25 181.52 2ky4 h GLU 99 N 0.57 0.49 -0.70 0.00 4.57 -1.86 -1.70 114.58 115.95 2ky4 h GLU 99 Ca 0.02 -0.12 0.02 0.00 -1.18 0.00 0.00 59.36 58.09 2ky4 h GLU 99 Cb 1.11 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 29.60 2ky4 h GLU 99 CO 0.11 0.57 0.47 0.82 -1.18 0.00 0.00 179.01 179.80 2ky4 h ILE 100 N 0.32 1.14 -0.09 2.32 2.04 -1.11 -1.57 117.51 120.56 2ky4 h ILE 100 Ca 0.09 -0.31 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2ky4 h ILE 100 Cb 0.31 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.54 2ky4 h ILE 100 CO 0.00 0.16 -0.41 0.03 0.00 0.00 0.00 178.15 177.94 2ky4 h ARG 101 N 0.90 0.19 0.00 2.37 3.08 -0.76 -0.74 114.38 119.42 2ky4 h ARG 101 Ca 0.27 -0.09 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2ky4 h ARG 101 Cb -0.01 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2ky4 h ARG 101 CO -0.07 0.58 -0.00 -0.22 -1.07 0.00 0.00 179.97 179.18 2ky4 h LYS 102 N 0.16 -0.01 -0.71 0.04 3.64 -0.38 0.41 116.57 119.72 2ky4 h LYS 102 Ca 0.01 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2ky4 h LYS 102 Cb 0.80 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.59 2ky4 h LYS 102 CO 0.06 0.52 0.31 1.88 -2.27 0.00 0.00 179.45 179.95 2ky4 h TYR 103 N -0.53 1.04 -0.60 1.91 0.05 -1.39 -1.47 116.97 115.98 2ky4 h TYR 103 Ca -0.00 -0.06 -0.00 0.00 0.05 0.00 0.00 58.73 58.72 2ky4 h TYR 103 Cb 0.53 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.92 2ky4 h TYR 103 CO 0.11 0.78 0.36 -0.97 -1.05 0.00 0.00 178.16 177.39 2ky4 h ASN 104 N 1.02 0.71 -0.25 3.88 -0.73 -1.15 -1.73 115.58 117.33 2ky4 h ASN 104 Ca 0.24 -0.03 -0.09 0.00 1.87 0.00 0.00 56.30 58.29 2ky4 h ASN 104 Cb 0.16 -0.18 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 2ky4 h ASN 104 CO -0.03 0.54 -0.20 -0.61 -0.37 0.00 0.00 177.43 176.77 2ky4 h GLN 105 N 0.82 0.58 -0.51 6.67 5.75 -0.30 -0.68 115.11 127.43 2ky4 h GLN 105 Ca 0.22 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.38 2ky4 h GLN 105 Cb -0.04 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2ky4 h GLN 105 CO -0.04 0.87 0.12 0.82 -2.65 0.00 0.00 178.83 177.95 2ky4 h ILE 106 N 0.29 1.24 -0.22 2.39 2.04 -1.19 -0.47 117.51 121.60 2ky4 h ILE 106 Ca 0.05 -0.87 -0.07 0.00 1.00 0.00 0.00 64.86 64.97 2ky4 h ILE 106 Cb 0.75 0.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.63 2ky4 h ILE 106 CO 0.05 0.31 -0.16 0.25 0.00 0.00 0.00 178.15 178.61 2ky4 h LEU 107 N 0.72 0.35 0.08 1.44 5.85 -1.32 -1.09 115.31 121.34 2ky4 h LEU 107 Ca 0.16 -0.09 -0.12 0.00 0.84 0.00 0.00 57.88 58.67 2ky4 h LEU 107 Cb 0.34 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 41.29 2ky4 h LEU 107 CO 0.00 0.54 -0.52 0.00 -0.34 0.00 0.00 178.44 178.12 2ky4 h ALA 108 N 1.50 -0.05 -0.17 1.25 0.00 -0.86 -2.91 119.26 118.02 2ky4 h ALA 108 Ca 0.06 -0.61 -0.08 0.00 0.00 0.00 0.00 54.91 54.28 2ky4 h ALA 108 Cb 0.49 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 2ky4 h ALA 108 CO 0.03 0.24 -0.22 1.79 0.00 0.00 0.00 179.25 181.09 2ky4 h THR 109 N -0.55 1.35 0.00 0.00 1.35 -1.16 -3.44 112.91 110.46 2ky4 h THR 109 Ca -0.09 -1.42 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2ky4 h THR 109 Cb 1.39 1.88 0.00 0.00 -1.73 0.00 0.00 68.15 69.69 2ky4 h THR 109 CO 0.10 0.43 -0.06 0.00 -0.25 0.00 0.00 175.52 175.74 2ky4 n GLN 110 N -4.45 0.03 -1.58 4.72 6.02 -0.45 -5.10 117.38 116.57 2ky4 n GLN 110 Ca -0.06 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 56.94 2ky4 n GLN 110 Cb 0.42 -0.32 0.00 0.00 1.02 0.00 0.00 30.24 31.36 2ky4 n GLN 110 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ky4 n GLY 111 N 2.56 0.04 0.30 1.08 0.00 -0.96 -4.98 105.19 103.23 2ky4 n GLY 111 Ca -0.01 -1.64 -0.08 0.00 0.00 0.00 0.00 46.02 44.29 2ky4 n GLY 111 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2ky4 h ILE 112 N 0.00 1.26 -0.23 -0.61 6.09 -1.89 -2.47 117.51 119.65 2ky4 h ILE 112 Ca 0.00 -1.11 -0.07 0.00 -1.37 0.00 0.00 64.86 62.31 2ky4 h ILE 112 Cb 0.00 0.79 -0.01 0.00 0.47 0.00 0.00 36.82 38.07 2ky4 h ILE 112 CO 0.00 0.40 -0.16 0.03 -3.07 0.00 0.00 178.15 175.35 2ky4 h ARG 113 N 0.93 0.40 0.06 2.19 3.08 -1.94 -0.52 114.38 118.58 2ky4 h ARG 113 Ca 0.17 -0.12 -0.24 0.00 0.07 0.00 0.00 59.98 59.86 2ky4 h ARG 113 Cb 0.52 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2ky4 h ARG 113 CO 0.03 0.56 -1.06 0.00 -1.07 0.00 0.00 179.97 178.42 2ky4 h ALA 114 N 1.47 0.28 0.17 0.04 0.00 -1.89 -2.05 119.26 117.28 2ky4 h ALA 114 Ca 0.07 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.17 2ky4 h ALA 114 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ky4 h ALA 114 CO 0.03 0.92 -0.08 0.35 0.00 0.00 0.00 179.25 180.47 2ky4 h PHE 115 N 0.13 -0.22 0.17 0.00 3.57 -1.04 -1.15 116.94 118.40 2ky4 h PHE 115 Ca -0.09 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.39 2ky4 h PHE 115 Cb 1.74 0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.56 2ky4 h PHE 115 CO 0.05 -0.02 -0.08 0.82 -2.23 0.00 0.00 178.31 176.85 2ky4 h ILE 116 N -0.37 0.87 -0.68 1.41 1.08 -1.18 -2.29 117.51 116.35 2ky4 h ILE 116 Ca -0.02 -0.20 0.15 0.00 -0.39 0.00 0.00 64.86 64.40 2ky4 h ILE 116 Cb 0.29 1.00 -0.11 0.00 -3.07 0.00 0.00 36.82 34.92 2ky4 h ILE 116 CO 0.04 0.05 0.02 -1.13 -0.69 0.00 0.00 178.15 176.43 2ky4 h ASN 117 N -0.33 -0.28 -0.40 1.72 -0.73 -1.45 -0.86 115.58 113.27 2ky4 h ASN 117 Ca -0.02 0.17 0.02 0.00 1.87 0.00 0.00 56.30 58.33 2ky4 h ASN 117 Cb 0.26 0.29 -0.02 0.00 0.27 0.00 0.00 38.32 39.12 2ky4 h ASN 117 CO 0.04 -0.13 0.26 0.00 -0.37 0.00 0.00 177.43 177.23 2ky4 h ALA 118 N 1.62 1.79 0.42 1.57 0.00 -0.95 -2.33 119.26 121.39 2ky4 h ALA 118 Ca 0.36 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 2ky4 h ALA 118 Cb 0.61 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ky4 h ALA 118 CO -0.58 0.17 -0.20 -0.07 0.00 0.00 0.00 179.25 178.57 2ky4 h LEU 119 N 0.47 -0.48 -1.12 0.00 3.38 -0.78 -3.29 115.31 113.48 2ky4 h LEU 119 Ca 0.16 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2ky4 h LEU 119 Cb 0.05 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2ky4 h LEU 119 CO -0.04 -0.06 0.08 0.58 0.09 0.00 0.00 178.44 179.09 2ky4 h VAL 120 N -1.05 1.21 -0.77 1.22 2.07 -0.80 -2.13 116.25 116.00 2ky4 h VAL 120 Ca -0.06 -0.79 -0.50 0.00 0.82 0.00 0.00 66.70 66.17 2ky4 h VAL 120 Cb 0.53 0.79 -0.29 0.00 -1.52 0.00 0.00 31.29 30.81 2ky4 h VAL 120 CO 0.10 0.28 0.15 -0.46 0.02 0.00 0.00 177.57 177.66 2ky4 n ASN 121 N -4.28 5.16 -4.83 0.57 0.23 -0.91 -4.78 115.26 106.42 2ky4 n ASN 121 Ca 0.03 -3.76 -0.27 0.00 -0.53 0.00 0.00 54.58 50.05 2ky4 n ASN 121 Cb 0.23 -0.71 0.09 0.00 -2.08 0.00 0.00 39.78 37.31 2ky4 n ASN 121 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2ky4 s SER 122 N -2.42 4.54 0.30 0.53 1.04 -0.80 -5.00 113.70 111.89 2ky4 s SER 122 Ca 0.55 0.46 0.08 0.00 0.48 0.00 0.00 55.95 57.53 2ky4 s SER 122 Cb 0.45 -1.00 0.47 0.00 0.10 0.00 0.00 66.02 66.05 2ky4 s SER 122 CO 0.02 -1.80 1.70 -0.61 0.98 0.00 0.00 173.24 173.53 2ky4 h GLN 123 N -0.81 0.15 -0.24 4.02 4.15 -1.91 -2.78 115.11 117.69 2ky4 h GLN 123 Ca -0.44 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 58.76 2ky4 h GLN 123 Cb 1.31 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.99 2ky4 h GLN 123 CO 0.58 0.58 -0.43 0.93 -1.93 0.00 0.00 178.83 178.56 2ky4 h GLU 124 N 0.12 0.59 0.02 1.69 3.07 -1.94 -2.87 114.58 115.25 2ky4 h GLU 124 Ca 0.01 -0.31 -0.25 0.00 -0.50 0.00 0.00 59.36 58.31 2ky4 h GLU 124 Cb 0.86 0.01 0.01 0.00 -0.84 0.00 0.00 28.75 28.80 2ky4 h GLU 124 CO 0.07 0.91 -1.02 -0.92 -1.40 0.00 0.00 179.01 176.64 2ky4 h TYR 125 N 0.48 0.80 0.56 4.33 3.20 -1.80 -3.37 116.97 121.18 2ky4 h TYR 125 Ca 0.04 -0.45 -0.02 0.00 3.14 0.00 0.00 58.73 61.44 2ky4 h TYR 125 Cb 0.94 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 2ky4 h TYR 125 CO 0.04 1.28 -0.45 -0.97 -1.64 0.00 0.00 178.16 176.42 2ky4 h ASN 126 N 0.29 -1.21 0.08 -2.11 -0.73 -1.27 -2.33 115.58 108.31 2ky4 h ASN 126 Ca -0.11 0.09 -0.25 0.00 1.87 0.00 0.00 56.30 57.90 2ky4 h ASN 126 Cb 1.67 0.38 0.01 0.00 0.27 0.00 0.00 38.32 40.65 2ky4 h ASN 126 CO 0.19 -0.64 -0.98 -0.33 -0.37 0.00 0.00 177.43 175.30 2ky4 h GLU 127 N -0.99 0.63 -0.17 6.67 5.08 -1.75 0.04 114.58 124.09 2ky4 h GLU 127 Ca -0.07 -0.65 -0.10 0.00 -1.00 0.00 0.00 59.36 57.53 2ky4 h GLU 127 Cb 0.83 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2ky4 h GLU 127 CO 0.00 1.25 -0.29 0.28 -1.00 0.00 0.00 179.01 179.25 2ky4 h VAL 128 N 0.37 1.35 0.00 3.13 2.07 -1.72 -3.39 116.25 118.06 2ky4 h VAL 128 Ca -0.11 -1.52 -0.40 0.00 0.82 0.00 0.00 66.70 65.49 2ky4 h VAL 128 Cb 1.62 1.90 -0.06 0.00 -1.52 0.00 0.00 31.29 33.23 2ky4 h VAL 128 CO 0.19 0.46 -2.40 0.49 0.02 0.00 0.00 177.57 176.33 2ky4 n PHE 129 N -4.37 0.00 -0.89 1.57 3.72 -0.88 -5.04 117.46 111.57 2ky4 n PHE 129 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2ky4 n PHE 129 Cb 0.47 -0.92 0.00 0.00 -0.94 0.00 0.00 39.48 38.09 2ky4 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2ky4 n GLY 130 N 1.82 0.45 3.89 1.37 0.00 0.00 -4.40 105.19 108.32 2ky4 n GLY 130 Ca -0.47 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.57 2ky4 n GLY 130 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2ky4 n GLU 131 N -2.88 0.00 0.05 1.61 0.28 -1.26 -4.69 120.64 113.75 2ky4 n GLU 131 Ca 0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.16 57.11 2ky4 n GLU 131 Cb 0.00 -3.88 -0.00 0.00 1.43 0.00 0.00 31.44 28.98 2ky4 n GLU 131 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ky4 n ASP 132 N 0.00 0.61 -4.77 -1.84 2.03 -1.26 -2.22 116.55 109.10 2ky4 n ASP 132 Ca 0.00 0.05 -0.22 0.00 0.52 0.00 0.00 54.79 55.14 2ky4 n ASP 132 Cb 0.00 0.81 -0.05 0.00 -0.72 0.00 0.00 41.12 41.15 2ky4 n ASP 132 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2ky4 s THR 133 N -3.31 3.66 0.25 5.18 -1.32 -1.26 -2.12 115.64 116.73 2ky4 s THR 133 Ca 0.00 -1.58 -0.30 0.00 -1.21 0.00 0.00 61.69 58.60 2ky4 s THR 133 Cb 0.12 -3.12 -0.09 0.00 -1.51 0.00 0.00 72.50 67.90 2ky4 s THR 133 CO 0.81 -0.27 1.29 -0.69 -2.21 0.00 0.00 174.62 173.54 2ky4 s VAL 134 N -2.29 3.07 -0.84 5.08 1.01 -0.33 -4.52 120.40 121.57 2ky4 s VAL 134 Ca 0.36 0.96 -0.23 0.00 0.00 0.00 0.00 61.98 63.06 2ky4 s VAL 134 Cb -0.06 -3.61 -0.18 0.00 0.00 0.00 0.00 36.38 32.53 2ky4 s VAL 134 CO 0.24 0.18 2.29 -0.81 0.00 0.00 0.00 175.10 177.00 2ky4 n PRO 135 N 1.84 0.39 -2.10 2.72 -0.04 -1.26 -4.84 135.00 131.71 2ky4 n PRO 135 Ca 0.03 -0.86 -0.42 0.00 -0.04 0.00 0.00 63.50 62.21 2ky4 n PRO 135 Cb 0.43 -3.32 -0.03 0.00 -0.04 0.00 0.00 33.50 30.54 2ky4 n PRO 135 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2ky4 s TYR 136 N 12.98 1.93 -0.41 0.54 -0.85 -1.26 -4.82 117.35 125.46 2ky4 s TYR 136 Ca 0.93 0.66 -0.40 0.00 -0.52 0.00 0.00 57.07 57.74 2ky4 s TYR 136 Cb -0.21 -4.17 -0.16 0.00 0.38 0.00 0.00 41.96 37.80 2ky4 s TYR 136 CO 0.16 -2.58 2.04 2.89 -1.52 0.00 0.00 175.55 176.55 2ky4 n ARG 137 N 8.50 0.60 -0.12 -3.49 1.85 -1.26 -4.76 116.66 117.97 2ky4 n ARG 137 Ca 0.21 0.18 0.02 0.00 -1.00 0.00 0.00 57.85 57.26 2ky4 n ARG 137 Cb 0.48 -1.96 0.07 0.00 -1.05 0.00 0.00 32.46 30.01 2ky4 n ARG 137 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 177.63 178.16 2ky4 n ARG 138 N 7.09 1.52 -3.13 2.89 1.74 -0.97 -4.80 116.66 121.02 2ky4 n ARG 138 Ca 0.43 -0.60 -0.41 0.00 -0.77 0.00 0.00 57.85 56.50 2ky4 n ARG 138 Cb 0.09 -1.31 -0.07 0.00 -1.02 0.00 0.00 32.46 30.15 2ky4 n ARG 138 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2ky4 s PHE 139 N -1.64 3.18 0.39 -1.55 0.40 -1.26 -4.97 117.98 112.52 2ky4 s PHE 139 Ca 0.11 0.41 0.08 0.00 -0.60 0.00 0.00 56.93 56.93 2ky4 s PHE 139 Cb 0.07 -3.06 0.81 0.00 0.51 0.00 0.00 43.02 41.34 2ky4 s PHE 139 CO 0.06 -0.56 1.97 -1.00 0.70 0.00 0.00 175.22 176.38 2ky4 h PRO 140 N 8.37 0.36 -7.61 0.24 0.13 -2.01 -3.45 132.00 128.04 2ky4 h PRO 140 Ca -0.27 -0.06 -0.47 0.00 -0.87 0.00 0.00 66.00 64.34 2ky4 h PRO 140 Cb 1.11 -0.06 0.11 0.00 0.13 0.00 0.00 31.00 32.29 2ky4 h PRO 140 CO 0.82 0.38 0.39 -0.08 -0.23 0.00 0.00 178.00 179.27 2ky4 s THR 141 N -5.03 2.00 -1.27 1.56 -1.32 -1.26 -4.34 115.64 105.98 2ky4 s THR 141 Ca -0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 2ky4 s THR 141 Cb 0.16 -2.95 0.00 0.00 -1.51 0.00 0.00 72.50 68.20 2ky4 s THR 141 CO 0.73 0.00 0.00 0.18 -2.21 0.00 0.00 174.62 173.32 2ky4 n LEU 142 N -3.44 -0.94 0.29 9.08 4.77 -1.26 -4.92 117.00 120.58 2ky4 n LEU 142 Ca 0.08 0.28 0.13 0.00 -0.03 0.00 0.00 56.01 56.47 2ky4 n LEU 142 Cb 0.61 -1.88 0.84 0.00 -2.33 0.00 0.00 43.42 40.66 2ky4 n LEU 142 CO 0.56 -0.60 1.10 -0.08 -1.33 0.00 0.00 177.39 177.05 2ky4 h GLU 143 N 0.00 0.00 -0.53 3.23 4.22 -1.88 -3.21 114.58 116.41 2ky4 h GLU 143 Ca -0.25 0.00 0.15 0.00 0.08 0.00 0.00 59.36 59.34 2ky4 h GLU 143 Cb 0.82 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2ky4 h GLU 143 CO 0.36 0.01 0.53 1.25 -2.18 0.00 0.00 179.01 178.99 2ky4 h HIS 144 N 0.00 0.00 -3.66 0.92 2.76 -1.95 -3.48 115.15 109.74 2ky4 h HIS 144 Ca -0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2ky4 h HIS 144 Cb 0.03 0.00 0.00 0.00 1.55 0.00 0.00 27.41 28.99 2ky4 h HIS 144 CO 0.00 0.00 -0.31 -2.39 -1.30 0.00 0.00 177.93 173.93 2ky4 n HIS 145 N -3.76 -1.60 -2.49 5.26 1.44 -1.21 -4.90 115.22 107.96 2ky4 n HIS 145 Ca 0.10 0.96 -0.42 0.00 -2.01 0.00 0.00 57.72 56.36 2ky4 n HIS 145 Cb 0.74 -1.61 -0.03 0.00 0.12 0.00 0.00 29.99 29.20 2ky4 n HIS 145 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2ky4 s HIS 146 N -0.17 3.52 0.29 -1.40 3.76 -1.26 -5.06 115.29 114.97 2ky4 s HIS 146 Ca 0.00 1.46 0.06 0.00 -0.15 0.00 0.00 55.06 56.43 2ky4 s HIS 146 Cb 0.00 -3.33 -0.02 0.00 1.11 0.00 0.00 32.58 30.34 2ky4 s HIS 146 CO 0.00 -0.88 0.38 -1.01 -0.85 0.00 0.00 174.74 172.38 2ky4 s HIS 147 N 0.54 3.20 -0.15 1.40 3.76 -1.26 -3.99 115.29 118.79 2ky4 s HIS 147 Ca 0.54 -0.15 -0.07 0.00 -0.15 0.00 0.00 55.06 55.23 2ky4 s HIS 147 Cb -0.29 -1.76 0.06 0.00 1.11 0.00 0.00 32.58 31.70 2ky4 s HIS 147 CO 0.31 0.22 0.34 -1.58 -0.85 0.00 0.00 174.74 173.18 2ky4 s HIS 148 N -2.12 -0.52 -2.52 1.40 2.46 -1.26 -5.07 115.29 107.66 2ky4 s HIS 148 Ca 0.39 1.12 0.20 0.00 0.47 0.00 0.00 55.06 57.24 2ky4 s HIS 148 Cb -0.09 0.16 0.16 0.00 -0.13 0.00 0.00 32.58 32.68 2ky4 s HIS 148 CO 0.29 -0.33 1.14 1.58 -2.47 0.00 0.00 174.74 174.95