#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ugs n ASN 2 N 0.00 8.26 -4.87 3.17 5.03 -1.26 -4.95 115.26 120.64 1ugs n ASN 2 Ca 0.00 -2.62 -0.30 0.00 0.87 0.00 0.00 54.58 52.53 1ugs n ASN 2 Cb 0.00 -1.52 0.00 0.00 -1.02 0.00 0.00 39.78 37.24 1ugs n ASN 2 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1ugs s GLY 3 N 1.97 1.67 0.49 7.41 0.00 -1.26 -4.95 107.32 112.65 1ugs s GLY 3 Ca 0.68 -0.14 0.22 0.00 0.00 0.00 0.00 44.72 45.48 1ugs s GLY 3 CO -0.06 0.11 2.04 -2.08 0.00 0.00 0.00 173.10 173.11 1ugs h VAL 4 N -0.11 0.79 -0.22 1.40 2.07 -1.92 -2.40 116.25 115.87 1ugs h VAL 4 Ca -0.45 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 66.55 1ugs h VAL 4 Cb 1.19 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 1ugs h VAL 4 CO 0.62 0.15 0.23 0.10 0.02 0.00 0.00 177.57 178.69 1ugs h TYR 5 N 0.00 0.00 -0.42 1.57 -0.00 -1.92 -3.24 116.97 112.95 1ugs h TYR 5 Ca -0.00 0.00 -0.65 0.00 0.00 0.00 0.00 58.73 58.08 1ugs h TYR 5 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 36.73 37.02 1ugs h TYR 5 CO 0.00 0.00 2.42 -3.47 -0.00 0.00 0.00 178.16 177.11 1ugs n ASP 6 N -3.84 4.10 -0.05 0.10 2.03 -0.90 -4.75 116.55 113.25 1ugs n ASP 6 Ca 0.02 -2.84 0.13 0.00 0.52 0.00 0.00 54.79 52.62 1ugs n ASP 6 Cb 0.36 -1.65 0.48 0.00 -0.72 0.00 0.00 41.12 39.58 1ugs n ASP 6 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 1ugs n VAL 7 N 6.05 0.00 -1.64 5.18 0.24 -1.23 -4.86 118.33 122.08 1ugs n VAL 7 Ca 0.50 -0.03 -0.51 0.00 -2.04 0.00 0.00 64.34 62.26 1ugs n VAL 7 Cb 0.43 -0.06 -0.06 0.00 -1.47 0.00 0.00 33.84 32.68 1ugs n VAL 7 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ugs n GLY 8 N 1.42 1.08 1.07 7.63 0.00 -1.26 -0.60 105.19 114.53 1ugs n GLY 8 Ca 0.09 0.90 0.00 0.00 0.00 0.00 0.00 46.02 47.01 1ugs n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ugs n GLY 9 N 4.85 0.91 3.75 -0.02 0.00 -1.26 -4.59 105.19 108.83 1ugs n GLY 9 Ca 0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 1ugs n GLY 9 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugs s THR 10 N -2.50 3.33 0.20 2.61 2.01 0.23 -5.03 115.64 116.49 1ugs s THR 10 Ca 0.00 1.19 0.05 0.00 0.31 0.00 0.00 61.69 63.24 1ugs s THR 10 Cb 0.00 -3.76 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1ugs s THR 10 CO 0.00 0.22 0.22 -1.81 -0.69 0.00 0.00 174.62 172.57 1ugs s ASP 11 N -0.15 5.83 0.00 3.53 1.01 -1.26 -4.67 116.67 120.96 1ugs s ASP 11 Ca 0.51 -0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.70 1ugs s ASP 11 Cb -0.35 -1.60 0.00 0.00 1.01 0.00 0.00 42.92 41.98 1ugs s ASP 11 CO 0.41 0.01 0.00 0.61 0.21 0.00 0.00 175.17 176.40 1ugs n GLY 12 N -0.83 0.65 0.00 0.21 0.00 -1.26 -4.93 105.19 99.03 1ugs n GLY 12 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 1ugs n GLY 12 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugs n LEU 13 N 0.00 0.00 0.00 0.99 4.32 -1.26 -5.02 117.00 116.03 1ugs n LEU 13 Ca 0.00 0.48 0.00 0.00 -0.02 0.00 0.00 56.01 56.47 1ugs n LEU 13 Cb 0.00 -0.48 0.00 0.00 -1.62 0.00 0.00 43.42 41.32 1ugs n LEU 13 CO 0.00 -0.08 0.00 0.61 -1.22 0.00 0.00 177.39 176.70 1ugs n GLY 14 N 0.96 -0.06 3.75 -0.72 0.00 -1.26 -4.99 105.19 102.86 1ugs n GLY 14 Ca 0.06 -1.84 -0.34 0.00 0.00 0.00 0.00 46.02 43.91 1ugs n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1ugs s PRO 15 N -1.64 2.47 0.29 1.61 0.04 -1.26 -4.98 135.00 131.53 1ugs s PRO 15 Ca 0.00 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.32 1ugs s PRO 15 Cb 0.00 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.55 1ugs s PRO 15 CO 0.00 -1.54 1.15 0.42 0.04 0.00 0.00 177.00 177.06 1ugs s ILE 16 N -2.16 3.32 -0.40 0.56 1.01 -1.26 -5.00 121.20 117.27 1ugs s ILE 16 Ca 0.71 1.32 -0.14 0.00 0.00 0.00 0.00 60.65 62.54 1ugs s ILE 16 Cb -0.25 -3.84 0.02 0.00 0.01 0.00 0.00 42.46 38.40 1ugs s ILE 16 CO 0.43 0.31 0.28 0.21 0.00 0.00 0.00 174.94 176.17 1ugs s ASN 17 N -0.76 6.04 -0.32 3.58 2.47 -1.26 -5.03 114.94 119.66 1ugs s ASN 17 Ca 0.46 -0.87 -0.02 0.00 0.42 0.00 0.00 52.86 52.84 1ugs s ASN 17 Cb -0.34 -2.13 0.11 0.00 -1.45 0.00 0.00 41.25 37.44 1ugs s ASN 17 CO 0.43 -0.42 0.15 -0.60 -3.72 0.00 0.00 177.10 172.94 1ugs s ARG 18 N 1.66 0.44 0.83 0.43 3.52 -1.26 -5.13 118.95 119.43 1ugs s ARG 18 Ca 0.05 -0.90 -0.11 0.00 -0.13 0.00 0.00 55.73 54.63 1ugs s ARG 18 Cb -0.19 -1.42 0.10 0.00 -1.56 0.00 0.00 34.95 31.88 1ugs s ARG 18 CO 0.09 -1.06 1.15 -2.14 -0.81 0.00 0.00 175.30 172.53 1ugs s PRO 19 N 1.67 1.62 0.37 5.12 0.02 -1.26 -4.89 135.00 137.64 1ugs s PRO 19 Ca 0.12 1.51 0.04 0.00 0.02 0.00 0.00 61.00 62.69 1ugs s PRO 19 Cb -0.18 -1.80 0.72 0.00 0.02 0.00 0.00 34.50 33.26 1ugs s PRO 19 CO -0.24 -2.18 2.01 0.00 -0.33 0.00 0.00 177.00 176.26 1ugs h ALA 20 N -1.27 1.62 -2.08 -1.55 0.00 -2.06 -3.43 119.26 110.49 1ugs h ALA 20 Ca -0.44 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1ugs h ALA 20 Cb 1.27 -0.22 -0.19 0.00 0.00 0.00 0.00 17.79 18.64 1ugs h ALA 20 CO 0.46 0.33 0.13 0.34 0.00 0.00 0.00 179.25 180.52 1ugs s ASP 21 N -6.47 -0.60 0.03 0.00 2.15 -1.26 -5.18 116.67 105.34 1ugs s ASP 21 Ca -0.09 0.63 -0.13 0.00 0.43 0.00 0.00 52.55 53.38 1ugs s ASP 21 Cb 0.18 0.51 0.02 0.00 -0.30 0.00 0.00 42.92 43.33 1ugs s ASP 21 CO 0.76 -0.60 0.28 -1.83 -0.17 0.00 0.00 175.17 173.61 1ugs s GLU 22 N -1.26 0.76 0.70 4.34 -1.05 -1.26 -5.16 118.70 115.76 1ugs s GLU 22 Ca -0.11 -0.47 -0.11 0.00 -0.15 0.00 0.00 54.97 54.13 1ugs s GLU 22 Cb -0.01 0.33 0.01 0.00 -0.44 0.00 0.00 34.13 34.02 1ugs s GLU 22 CO 0.09 -0.23 1.07 -1.25 0.95 0.00 0.00 175.26 175.88 1ugs s PRO 23 N -2.30 2.89 0.13 -4.83 0.04 -1.26 -4.96 135.00 124.71 1ugs s PRO 23 Ca -0.07 0.78 -0.15 0.00 0.04 0.00 0.00 61.00 61.60 1ugs s PRO 23 Cb -0.02 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1ugs s PRO 23 CO -0.02 -1.09 1.64 0.28 0.04 0.00 0.00 177.00 177.85 1ugs h VAL 24 N -0.70 1.23 -3.13 -0.36 2.07 -2.03 -3.39 116.25 109.94 1ugs h VAL 24 Ca -0.45 -0.78 -0.67 0.00 0.82 0.00 0.00 66.70 65.62 1ugs h VAL 24 Cb 1.22 0.95 -0.34 0.00 -1.52 0.00 0.00 31.29 31.60 1ugs h VAL 24 CO 0.59 0.27 -0.85 -0.36 0.02 0.00 0.00 177.57 177.25 1ugs s PHE 25 N -5.31 2.82 -0.52 1.57 0.40 -1.26 -5.00 117.98 110.68 1ugs s PHE 25 Ca -0.13 -1.62 0.24 0.00 -0.60 0.00 0.00 56.93 54.82 1ugs s PHE 25 Cb 0.10 -1.94 0.46 0.00 0.51 0.00 0.00 43.02 42.15 1ugs s PHE 25 CO 0.77 -0.79 1.64 0.00 0.70 0.00 0.00 175.22 177.54 1ugs h ARG 26 N 7.95 0.00 -3.10 0.44 3.08 -1.98 -3.47 114.38 117.30 1ugs h ARG 26 Ca -0.44 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.55 1ugs h ARG 26 Cb 1.14 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 31.04 1ugs h ARG 26 CO 0.63 0.00 -0.01 0.00 -1.07 0.00 0.00 179.97 179.51 1ugs s ALA 27 N -3.18 -1.14 0.40 0.04 0.00 -1.26 -5.05 121.76 111.57 1ugs s ALA 27 Ca 0.08 0.27 0.09 0.00 0.00 0.00 0.00 51.96 52.40 1ugs s ALA 27 Cb 0.07 0.56 0.88 0.00 0.00 0.00 0.00 23.12 24.63 1ugs s ALA 27 CO 0.65 -0.58 2.00 0.93 0.00 0.00 0.00 175.76 178.76 1ugs h GLU 28 N 2.57 0.56 0.00 0.00 4.39 -2.02 -1.62 114.58 118.46 1ugs h GLU 28 Ca -0.33 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.31 1ugs h GLU 28 Cb 1.24 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ugs h GLU 28 CO 0.44 0.37 -0.15 0.11 -1.16 0.00 0.00 179.01 178.62 1ugs h TRP 29 N 0.57 0.00 -0.53 4.33 5.08 -2.00 -2.15 115.95 121.26 1ugs h TRP 29 Ca 0.25 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.12 1ugs h TRP 29 Cb 0.25 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.39 1ugs h TRP 29 CO -0.00 0.15 -0.05 0.93 -1.28 0.00 0.00 178.44 178.18 1ugs h GLU 30 N 0.00 0.94 -0.66 0.12 5.08 -1.71 0.63 114.58 118.99 1ugs h GLU 30 Ca -0.00 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1ugs h GLU 30 Cb 0.28 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 1ugs h GLU 30 CO 0.02 0.97 0.35 0.87 -1.00 0.00 0.00 179.01 180.21 1ugs h LYS 31 N 0.86 0.93 -0.12 2.33 1.57 -1.42 0.34 116.57 121.06 1ugs h LYS 31 Ca 0.15 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1ugs h LYS 31 Cb 0.58 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 1ugs h LYS 31 CO 0.04 0.71 0.04 0.28 -0.57 0.00 0.00 179.45 179.94 1ugs h VAL 32 N 0.91 1.18 -0.57 0.50 2.07 -1.24 -1.48 116.25 117.61 1ugs h VAL 32 Ca 0.23 -0.54 0.09 0.00 0.82 0.00 0.00 66.70 67.30 1ugs h VAL 32 Cb 0.06 1.31 -0.07 0.00 -1.52 0.00 0.00 31.29 31.08 1ugs h VAL 32 CO -0.04 0.16 0.20 0.00 0.02 0.00 0.00 177.57 177.91 1ugs h ALA 33 N 0.85 0.72 0.02 1.67 0.00 -0.52 -1.37 119.26 120.63 1ugs h ALA 33 Ca 0.04 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1ugs h ALA 33 Cb 0.22 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ugs h ALA 33 CO -0.00 -0.21 -0.01 0.35 0.00 0.00 0.00 179.25 179.37 1ugs h PHE 34 N 0.37 -0.03 0.00 0.00 3.57 -0.76 -2.93 116.94 117.16 1ugs h PHE 34 Ca 0.29 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.76 1ugs h PHE 34 Cb 0.35 0.01 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 1ugs h PHE 34 CO -0.18 0.01 -0.12 0.00 -2.23 0.00 0.00 178.31 175.79 1ugs h ALA 35 N 0.91 1.41 0.00 2.41 0.00 -0.80 -2.31 119.26 120.88 1ugs h ALA 35 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1ugs h ALA 35 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1ugs h ALA 35 CO 0.01 0.16 0.00 0.52 0.00 0.00 0.00 179.25 179.93 1ugs h MET 36 N 0.00 0.00 0.56 0.00 2.86 -1.06 -3.08 114.93 114.21 1ugs h MET 36 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 1ugs h MET 36 Cb 0.30 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.96 1ugs h MET 36 CO 0.02 0.00 -0.27 0.35 1.06 0.00 0.00 176.91 178.07 1ugs h PHE 37 N 0.00 -0.70 -0.20 -0.22 -0.00 -1.50 0.14 116.94 114.47 1ugs h PHE 37 Ca 0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.97 57.94 1ugs h PHE 37 Cb 0.26 0.23 -0.01 0.00 -0.00 0.00 0.00 35.95 36.43 1ugs h PHE 37 CO 0.00 -0.44 0.07 -1.00 -0.00 0.00 0.00 178.31 176.95 1ugs h PRO 38 N -0.80 0.27 0.47 6.41 0.13 -1.75 -1.33 132.00 135.41 1ugs h PRO 38 Ca -0.08 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.00 1ugs h PRO 38 Cb 0.58 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1ugs h PRO 38 CO 0.13 0.24 -0.23 0.00 -0.23 0.00 0.00 178.00 177.91 1ugs h ALA 39 N 1.81 -0.64 0.00 -0.56 0.00 -1.44 -0.48 119.26 117.95 1ugs h ALA 39 Ca 0.07 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 1ugs h ALA 39 Cb 0.07 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1ugs h ALA 39 CO -0.01 -0.81 -0.47 1.79 0.00 0.00 0.00 179.25 179.75 1ugs h THR 40 N -0.73 1.33 -0.01 0.00 1.35 -0.84 -1.82 112.91 112.20 1ugs h THR 40 Ca -0.07 -1.62 -0.00 0.00 -0.55 0.00 0.00 66.41 64.17 1ugs h THR 40 Cb 0.53 1.88 -0.00 0.00 -1.73 0.00 0.00 68.15 68.83 1ugs h THR 40 CO 0.11 0.46 0.00 0.15 -0.25 0.00 0.00 175.52 175.99 1ugs h PHE 41 N 0.00 0.01 -0.33 4.73 3.57 -1.12 -0.32 116.94 123.48 1ugs h PHE 41 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1ugs h PHE 41 Cb 0.84 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1ugs h PHE 41 CO 0.00 0.24 0.10 -0.09 -2.23 0.00 0.00 178.31 176.33 1ugs h ARG 42 N -0.21 0.46 0.00 1.11 2.43 -0.96 -1.74 114.38 115.47 1ugs h ARG 42 Ca 0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1ugs h ARG 42 Cb 0.23 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 1ugs h ARG 42 CO 0.00 0.41 0.00 0.00 -1.51 0.00 0.00 179.97 178.87 1ugs n ALA 43 N -2.48 2.45 -0.98 2.80 0.00 -0.70 -4.90 120.51 116.70 1ugs n ALA 43 Ca 0.02 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.30 1ugs n ALA 43 Cb 0.16 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.16 1ugs n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ugs n GLY 44 N 0.89 0.41 0.29 0.00 0.00 -0.65 -4.93 105.19 101.21 1ugs n GLY 44 Ca 0.17 -0.85 -0.06 0.00 0.00 0.00 0.00 46.02 45.27 1ugs n GLY 44 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ugs h PHE 45 N 0.00 1.01 -1.72 1.61 -1.00 -1.28 -3.47 116.94 112.09 1ugs h PHE 45 Ca 0.00 -0.06 0.27 0.00 2.81 0.00 0.00 57.97 60.99 1ugs h PHE 45 Cb 0.00 -0.31 -0.12 0.00 3.61 0.00 0.00 35.95 39.13 1ugs h PHE 45 CO 0.00 0.76 0.72 0.00 -1.61 0.00 0.00 178.31 178.19 1ugs s MET 46 N -5.65 0.61 0.57 1.51 0.23 -1.26 -4.83 119.30 110.48 1ugs s MET 46 Ca -0.13 -0.32 0.09 0.00 -1.03 0.00 0.00 55.69 54.31 1ugs s MET 46 Cb 0.14 0.22 0.08 0.00 -1.53 0.00 0.00 34.83 33.74 1ugs s MET 46 CO 0.81 -0.28 0.75 0.20 -2.03 0.00 0.00 175.02 174.47 1ugs s GLY 47 N -2.82 1.80 0.18 3.16 0.00 -1.26 -4.54 107.32 103.83 1ugs s GLY 47 Ca 0.12 -2.05 -0.14 0.00 0.00 0.00 0.00 44.72 42.66 1ugs s GLY 47 CO -0.03 -1.71 1.81 -2.00 0.00 0.00 0.00 173.10 171.17 1ugs h LEU 48 N 0.25 0.49 -0.55 0.66 5.85 -1.99 -0.06 115.31 119.96 1ugs h LEU 48 Ca -0.31 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.33 1ugs h LEU 48 Cb 1.29 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.20 1ugs h LEU 48 CO 0.43 0.35 0.00 0.44 -0.34 0.00 0.00 178.44 179.32 1ugs h ASP 49 N 0.61 0.95 -0.33 1.25 5.19 -1.95 -2.27 116.42 119.88 1ugs h ASP 49 Ca 0.21 -0.30 -0.08 0.00 -0.62 0.00 0.00 57.03 56.23 1ugs h ASP 49 Cb 0.02 -0.26 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1ugs h ASP 49 CO -0.09 1.03 -0.08 -0.33 -3.12 0.00 0.00 179.24 176.64 1ugs h GLU 50 N 0.86 0.74 -0.48 3.56 5.08 -1.69 -1.74 114.58 120.91 1ugs h GLU 50 Ca 0.16 -0.23 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1ugs h GLU 50 Cb 0.53 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.65 1ugs h GLU 50 CO 0.03 0.81 0.14 0.35 -1.00 0.00 0.00 179.01 179.34 1ugs h PHE 51 N 0.68 0.24 -0.59 4.33 3.04 -0.68 -0.99 116.94 122.96 1ugs h PHE 51 Ca 0.12 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 62.02 1ugs h PHE 51 Cb 0.54 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1ugs h PHE 51 CO 0.03 0.06 0.06 0.00 -2.02 0.00 0.00 178.31 176.44 1ugs h ARG 52 N 0.30 1.00 -0.39 1.11 3.08 -1.02 -2.87 114.38 115.59 1ugs h ARG 52 Ca 0.23 -0.29 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 1ugs h ARG 52 Cb 0.27 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1ugs h ARG 52 CO -0.26 0.96 0.15 0.35 -1.07 0.00 0.00 179.97 180.10 1ugs h PHE 53 N 0.90 0.54 -0.62 3.04 3.57 -0.55 -0.92 116.94 122.90 1ugs h PHE 53 Ca 0.18 -0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 1ugs h PHE 53 Cb 0.47 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.01 1ugs h PHE 53 CO 0.03 0.43 0.13 0.78 -2.23 0.00 0.00 178.31 177.46 1ugs h GLY 54 N 0.70 1.06 1.45 2.40 0.00 -0.99 -2.40 103.07 105.30 1ugs h GLY 54 Ca 0.14 -0.65 -0.16 0.00 0.00 0.00 0.00 47.33 46.65 1ugs h GLY 54 CO -0.01 0.61 -0.54 -2.22 0.00 0.00 0.00 176.54 174.38 1ugs h ILE 55 N 0.94 1.32 0.00 2.60 2.04 -1.25 -2.90 117.51 120.25 1ugs h ILE 55 Ca 0.20 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 1ugs h ILE 55 Cb 0.36 1.74 -0.00 0.00 -0.74 0.00 0.00 36.82 38.18 1ugs h ILE 55 CO 0.00 0.55 -0.07 -0.33 0.00 0.00 0.00 178.15 178.31 1ugs h GLU 56 N 0.45 0.00 -0.23 2.37 5.08 -0.84 -2.00 114.58 119.41 1ugs h GLU 56 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1ugs h GLU 56 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1ugs h GLU 56 CO 0.10 0.07 0.00 1.04 -1.00 0.00 0.00 179.01 179.22 1ugs n GLN 57 N -3.57 1.74 -1.04 2.33 6.02 -0.93 -4.85 117.38 117.08 1ugs n GLN 57 Ca -0.02 -1.12 -0.30 0.00 -0.01 0.00 0.00 57.00 55.54 1ugs n GLN 57 Cb 0.19 -1.34 0.14 0.00 1.02 0.00 0.00 30.24 30.25 1ugs n GLN 57 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1ugs s MET 58 N -1.70 1.29 0.01 -1.09 -1.94 -0.75 -4.92 119.30 110.19 1ugs s MET 58 Ca 0.29 1.10 -0.30 0.00 -1.71 0.00 0.00 55.69 55.06 1ugs s MET 58 Cb 0.15 -1.79 -0.07 0.00 2.01 0.00 0.00 34.83 35.13 1ugs s MET 58 CO 0.22 -2.30 1.63 1.21 -0.01 0.00 0.00 175.02 175.77 1ugs s ASN 59 N -3.15 6.66 0.26 3.03 3.04 -1.26 -4.88 114.94 118.63 1ugs s ASN 59 Ca 0.64 2.34 -0.02 0.00 0.04 0.00 0.00 52.86 55.86 1ugs s ASN 59 Cb -0.19 -2.55 0.51 0.00 -1.54 0.00 0.00 41.25 37.48 1ugs s ASN 59 CO 0.58 -0.89 1.74 -0.65 -3.04 0.00 0.00 177.10 174.84 1ugs h PRO 60 N 8.86 0.49 -0.84 0.43 0.11 -1.94 0.08 132.00 139.20 1ugs h PRO 60 Ca -0.41 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.64 1ugs h PRO 60 Cb 1.19 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 1ugs h PRO 60 CO 0.94 0.33 0.42 0.00 -0.21 0.00 0.00 178.00 179.47 1ugs h ALA 61 N 1.57 1.16 -0.23 -0.75 0.00 -2.00 -0.71 119.26 118.29 1ugs h ALA 61 Ca 0.45 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 1ugs h ALA 61 Cb 0.68 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1ugs h ALA 61 CO -0.40 0.65 -0.19 1.49 0.00 0.00 0.00 179.25 180.80 1ugs h GLU 62 N 1.18 0.54 -0.38 0.00 4.81 -1.65 -3.19 114.58 115.90 1ugs h GLU 62 Ca 0.29 -0.27 0.02 0.00 -0.13 0.00 0.00 59.36 59.27 1ugs h GLU 62 Cb 0.09 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 1ugs h GLU 62 CO -0.04 0.85 0.21 -0.92 -0.73 0.00 0.00 179.01 178.39 1ugs h TYR 63 N 0.24 0.40 -0.00 0.92 5.03 -0.68 -0.38 116.97 122.50 1ugs h TYR 63 Ca 0.04 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.35 1ugs h TYR 63 Cb 0.73 -0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.88 1ugs h TYR 63 CO 0.07 0.23 -0.08 -0.07 -1.32 0.00 0.00 178.16 176.99 1ugs h LEU 64 N 0.44 0.00 -1.41 2.82 3.38 -1.17 -3.30 115.31 116.08 1ugs h LEU 64 Ca 0.15 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.12 1ugs h LEU 64 Cb 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1ugs h LEU 64 CO -0.08 0.09 0.00 -0.62 0.09 0.00 0.00 178.44 177.92 1ugs n GLU 65 N -4.44 0.14 -2.97 1.13 1.02 -1.14 -5.06 120.64 109.32 1ugs n GLU 65 Ca -0.03 -0.70 -0.29 0.00 -0.02 0.00 0.00 57.16 56.12 1ugs n GLU 65 Cb 0.16 -0.93 -0.02 0.00 -0.02 0.00 0.00 31.44 30.62 1ugs n GLU 65 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1ugs s SER 66 N -0.25 6.43 0.38 1.62 1.04 -0.17 -5.02 113.70 117.73 1ugs s SER 66 Ca 0.00 0.93 -0.27 0.00 0.48 0.00 0.00 55.95 57.08 1ugs s SER 66 Cb 0.00 -2.24 -0.11 0.00 0.10 0.00 0.00 66.02 63.77 1ugs s SER 66 CO 0.00 -0.38 1.42 -2.65 0.98 0.00 0.00 173.24 172.61 1ugs n PRO 67 N -1.45 2.45 -0.26 4.02 -0.02 -1.26 -4.89 135.00 133.59 1ugs n PRO 67 Ca 0.00 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 1ugs n PRO 67 Cb 0.54 -2.57 0.07 0.00 -0.02 0.00 0.00 33.50 31.52 1ugs n PRO 67 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1ugs h TYR 68 N 2.71 -0.54 0.00 6.00 3.20 -1.95 0.18 116.97 126.57 1ugs h TYR 68 Ca -0.50 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.45 1ugs h TYR 68 Cb 1.26 0.35 0.00 0.00 1.54 0.00 0.00 36.73 39.88 1ugs h TYR 68 CO 0.52 -0.34 0.00 0.66 -1.64 0.00 0.00 178.16 177.35 1ugs n TYR 69 N -5.49 0.71 0.07 -3.82 4.01 -1.26 -1.39 117.16 110.00 1ugs n TYR 69 Ca 0.09 0.31 -0.02 0.00 -0.16 0.00 0.00 57.90 58.12 1ugs n TYR 69 Cb 0.38 -1.00 0.22 0.00 -0.31 0.00 0.00 39.34 38.64 1ugs n TYR 69 CO 0.00 0.00 0.00 2.35 -0.46 0.00 0.00 176.86 178.75 1ugs h TRP 70 N 0.00 0.36 -0.95 -0.72 2.91 -1.30 -2.14 115.95 114.10 1ugs h TRP 70 Ca 0.00 -0.09 0.03 0.00 1.13 0.00 0.00 58.89 59.96 1ugs h TRP 70 Cb 0.23 -0.08 -0.05 0.00 -0.51 0.00 0.00 29.16 28.75 1ugs h TRP 70 CO 0.00 0.63 0.62 0.45 -1.03 0.00 0.00 178.44 179.12 1ugs h HIS 71 N 0.26 1.17 -0.47 2.65 -0.00 -1.28 -0.98 115.15 116.50 1ugs h HIS 71 Ca 0.03 0.03 -0.03 0.00 -0.00 0.00 0.00 60.37 60.40 1ugs h HIS 71 Cb 0.76 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1ugs h HIS 71 CO 0.02 0.69 0.18 -1.49 -0.00 0.00 0.00 177.93 177.33 1ugs h TRP 72 N 1.22 0.72 -0.75 2.45 4.06 -1.47 -2.20 115.95 119.98 1ugs h TRP 72 Ca 0.37 -0.06 0.00 0.00 2.06 0.00 0.00 58.89 61.26 1ugs h TRP 72 Cb -0.03 -0.22 -0.04 0.00 -1.00 0.00 0.00 29.16 27.88 1ugs h TRP 72 CO -0.00 0.62 0.48 0.82 -3.56 0.00 0.00 178.44 176.80 1ugs h ILE 73 N 0.62 1.20 -0.76 1.49 1.08 -0.94 -1.74 117.51 118.47 1ugs h ILE 73 Ca 0.16 -0.41 -0.00 0.00 -0.39 0.00 0.00 64.86 64.22 1ugs h ILE 73 Cb 0.21 0.12 -0.04 0.00 -3.07 0.00 0.00 36.82 34.05 1ugs h ILE 73 CO -0.01 0.20 0.47 0.03 -0.69 0.00 0.00 178.15 178.15 1ugs h ARG 74 N 1.02 1.02 -0.03 2.37 2.47 -0.93 -2.00 114.38 118.30 1ugs h ARG 74 Ca 0.27 -0.08 -0.11 0.00 -1.26 0.00 0.00 59.98 58.80 1ugs h ARG 74 Cb -0.08 -0.22 -0.01 0.00 -1.65 0.00 0.00 29.97 28.01 1ugs h ARG 74 CO -0.06 0.71 -0.50 0.00 0.56 0.00 0.00 179.97 180.68 1ugs h THR 75 N 1.04 1.36 -0.21 2.04 1.03 -0.96 0.32 112.91 117.53 1ugs h THR 75 Ca 0.27 -1.74 -0.02 0.00 -0.01 0.00 0.00 66.41 64.91 1ugs h THR 75 Cb -0.06 1.90 -0.01 0.00 -1.07 0.00 0.00 68.15 68.91 1ugs h THR 75 CO -0.05 0.50 0.06 1.88 -0.01 0.00 0.00 175.52 177.90 1ugs h TYR 76 N 0.06 0.35 -0.44 0.00 0.99 -0.92 -1.40 116.97 115.62 1ugs h TYR 76 Ca -0.00 -0.04 -0.04 0.00 2.00 0.00 0.00 58.73 60.66 1ugs h TYR 76 Cb 0.92 -0.10 -0.02 0.00 1.00 0.00 0.00 36.73 38.53 1ugs h TYR 76 CO 0.01 0.43 0.14 0.82 -0.00 0.00 0.00 178.16 179.55 1ugs h ILE 77 N 0.17 1.22 -0.20 -2.88 2.04 -1.19 0.22 117.51 116.89 1ugs h ILE 77 Ca 0.07 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.25 1ugs h ILE 77 Cb 0.25 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.13 1ugs h ILE 77 CO -0.00 0.26 -0.19 -0.74 0.00 0.00 0.00 178.15 177.48 1ugs h HIS 78 N 0.58 -0.50 0.00 1.37 2.76 -0.74 -0.58 115.15 118.04 1ugs h HIS 78 Ca 0.14 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.21 1ugs h HIS 78 Cb 0.27 0.25 -0.02 0.00 1.55 0.00 0.00 27.41 29.46 1ugs h HIS 78 CO 0.01 -0.27 -0.64 0.45 -1.30 0.00 0.00 177.93 176.18 1ugs h HIS 79 N -0.21 0.00 -0.51 5.26 3.86 -1.16 -1.07 115.15 121.32 1ugs h HIS 79 Ca 0.12 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.30 1ugs h HIS 79 Cb 0.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1ugs h HIS 79 CO -0.34 0.64 0.17 0.78 0.86 0.00 0.00 177.93 180.05 1ugs h GLY 80 N 2.62 0.83 0.83 2.45 0.00 -0.10 0.25 103.07 109.96 1ugs h GLY 80 Ca -0.01 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 46.75 1ugs h GLY 80 CO 0.08 0.45 -0.25 -2.08 0.00 0.00 0.00 176.54 174.74 1ugs h VAL 81 N 0.68 1.34 -0.47 4.60 2.07 -1.08 0.57 116.25 123.97 1ugs h VAL 81 Ca 0.17 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 66.29 1ugs h VAL 81 Cb 0.25 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 1ugs h VAL 81 CO -0.01 0.44 0.16 -0.09 0.02 0.00 0.00 177.57 178.10 1ugs h ARG 82 N 0.15 0.33 -0.01 1.57 2.43 -1.01 -1.45 114.38 116.39 1ugs h ARG 82 Ca 0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1ugs h ARG 82 Cb 0.82 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.30 1ugs h ARG 82 CO 0.06 0.22 -0.07 0.25 -1.51 0.00 0.00 179.97 178.92 1ugs n THR 83 N -5.01 0.00 -1.39 0.20 -2.24 0.06 -4.91 114.28 100.99 1ugs n THR 83 Ca 0.04 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.64 1ugs n THR 83 Cb 0.18 -0.03 -0.04 0.00 -2.10 0.00 0.00 70.33 68.34 1ugs n THR 83 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ugs n GLY 84 N 1.20 0.97 0.05 3.38 0.00 -0.41 -4.89 105.19 105.50 1ugs n GLY 84 Ca 0.17 -0.59 0.12 0.00 0.00 0.00 0.00 46.02 45.72 1ugs n GLY 84 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ugs n LYS 85 N -2.62 0.28 -4.55 1.61 5.02 0.18 -4.83 118.16 113.26 1ugs n LYS 85 Ca -0.10 0.04 -0.28 0.00 -2.02 0.00 0.00 58.31 55.96 1ugs n LYS 85 Cb 0.35 -1.64 -0.17 0.00 -0.02 0.00 0.00 35.03 33.55 1ugs n LYS 85 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ugs s ILE 86 N -3.18 1.45 -0.40 -0.18 -1.09 -0.37 -4.97 121.20 112.46 1ugs s ILE 86 Ca 0.05 -0.63 -0.20 0.00 -2.23 0.00 0.00 60.65 57.65 1ugs s ILE 86 Cb 0.14 -1.31 0.01 0.00 -1.58 0.00 0.00 42.46 39.72 1ugs s ILE 86 CO 0.76 0.43 0.59 -0.62 -1.23 0.00 0.00 174.94 174.86 1ugs s ASP 87 N 0.86 6.33 0.25 3.58 -1.08 -1.26 -4.19 116.67 121.16 1ugs s ASP 87 Ca -0.10 -0.21 -0.03 0.00 -0.52 0.00 0.00 52.55 51.69 1ugs s ASP 87 Cb -0.15 -2.30 0.40 0.00 -1.46 0.00 0.00 42.92 39.41 1ugs s ASP 87 CO 0.01 -0.65 1.84 0.25 0.52 0.00 0.00 175.17 177.14 1ugs h LEU 88 N 9.42 0.83 -0.47 -1.34 5.85 -1.98 -1.21 115.31 126.42 1ugs h LEU 88 Ca -0.26 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 1ugs h LEU 88 Cb 1.11 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.98 1ugs h LEU 88 CO 0.84 0.49 0.16 -0.33 -0.34 0.00 0.00 178.44 179.27 1ugs h GLU 89 N 0.94 0.72 -0.69 1.25 3.07 -1.99 -0.36 114.58 117.52 1ugs h GLU 89 Ca 0.41 -0.15 -0.05 0.00 -0.50 0.00 0.00 59.36 59.08 1ugs h GLU 89 Cb 0.29 -0.11 -0.03 0.00 -0.84 0.00 0.00 28.75 28.06 1ugs h GLU 89 CO -0.21 0.67 0.23 1.49 -1.40 0.00 0.00 179.01 179.79 1ugs h GLU 90 N 0.62 1.06 -0.66 2.33 4.57 -1.88 -1.53 114.58 119.09 1ugs h GLU 90 Ca 0.15 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ugs h GLU 90 Cb 0.24 -0.16 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1ugs h GLU 90 CO -0.01 0.91 0.42 1.25 -1.18 0.00 0.00 179.01 180.40 1ugs h LEU 91 N 1.00 0.77 -0.74 1.64 5.85 -0.88 -0.27 115.31 122.68 1ugs h LEU 91 Ca 0.22 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.87 1ugs h LEU 91 Cb 0.28 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 1ugs h LEU 91 CO -0.01 0.58 0.33 -0.33 -0.34 0.00 0.00 178.44 178.67 1ugs h GLU 92 N 0.89 1.08 -0.12 1.25 5.08 -0.69 -0.06 114.58 122.01 1ugs h GLU 92 Ca 0.24 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1ugs h GLU 92 Cb -0.07 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.99 1ugs h GLU 92 CO -0.05 0.86 0.05 -0.09 -1.00 0.00 0.00 179.01 178.78 1ugs h ARG 93 N 1.04 0.19 -0.28 2.33 2.43 -0.76 -2.46 114.38 116.88 1ugs h ARG 93 Ca 0.25 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1ugs h ARG 93 Cb 0.16 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.66 1ugs h ARG 93 CO -0.03 0.30 -0.02 0.00 -1.51 0.00 0.00 179.97 178.71 1ugs h ARG 94 N 0.04 0.42 -0.44 0.20 3.08 -0.85 -0.72 114.38 116.11 1ugs h ARG 94 Ca 0.04 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.99 1ugs h ARG 94 Cb 0.18 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 1ugs h ARG 94 CO -0.00 0.47 0.19 1.15 -1.07 0.00 0.00 179.97 180.71 1ugs h THR 95 N 0.41 1.19 -0.68 2.04 2.02 -0.79 -0.12 112.91 116.98 1ugs h THR 95 Ca 0.09 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1ugs h THR 95 Cb 0.30 0.75 -0.03 0.00 -1.74 0.00 0.00 68.15 67.44 1ugs h THR 95 CO 0.01 0.22 0.18 -0.61 0.37 0.00 0.00 175.52 175.68 1ugs h GLN 96 N 0.57 1.07 -0.16 6.66 5.75 -0.98 0.17 115.11 128.19 1ugs h GLN 96 Ca 0.15 -0.24 0.02 0.00 -0.15 0.00 0.00 58.65 58.43 1ugs h GLN 96 Cb 0.16 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.54 1ugs h GLN 96 CO -0.02 0.94 0.03 -0.92 -2.65 0.00 0.00 178.83 176.21 1ugs h TYR 97 N 1.02 0.05 0.00 3.99 3.20 -0.55 -1.49 116.97 123.18 1ugs h TYR 97 Ca 0.22 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.10 1ugs h TYR 97 Cb 0.34 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.61 1ugs h TYR 97 CO 0.03 0.01 0.00 1.88 -1.64 0.00 0.00 178.16 178.44 1ugs h TYR 98 N 0.09 0.00 -0.10 -3.82 -1.99 -0.73 0.14 116.97 110.57 1ugs h TYR 98 Ca 0.07 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.71 1ugs h TYR 98 Cb 0.06 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 1ugs h TYR 98 CO -0.13 0.00 -0.29 0.00 -0.00 0.00 0.00 178.16 177.74 1ugs h ARG 99 N 0.00 0.36 0.00 4.88 3.08 -0.23 -2.20 114.38 120.28 1ugs h ARG 99 Ca 0.00 -0.26 -0.08 0.00 0.07 0.00 0.00 59.98 59.71 1ugs h ARG 99 Cb 0.58 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 1ugs h ARG 99 CO 0.00 0.88 -0.38 0.93 -1.07 0.00 0.00 179.97 180.33 1ugs h GLU 100 N -0.09 0.00 -2.07 0.04 5.08 -1.07 -3.37 114.58 113.10 1ugs h GLU 100 Ca -0.01 0.00 -0.56 0.00 -1.00 0.00 0.00 59.36 57.79 1ugs h GLU 100 Cb 0.91 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.76 1ugs h GLU 100 CO 0.06 0.38 -0.95 0.09 -1.00 0.00 0.00 179.01 177.59 1ugs n ASN 101 N -3.22 1.43 0.22 1.42 3.02 0.48 -4.97 115.26 113.65 1ugs n ASN 101 Ca 0.02 -2.98 0.14 0.00 -0.03 0.00 0.00 54.58 51.73 1ugs n ASN 101 Cb 0.67 -0.64 0.76 0.00 -0.61 0.00 0.00 39.78 39.96 1ugs n ASN 101 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ugs h PRO 102 N 3.90 0.00 -0.58 3.52 0.13 -1.57 -1.77 132.00 135.63 1ugs h PRO 102 Ca 0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1ugs h PRO 102 Cb 0.81 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.94 1ugs h PRO 102 CO 0.58 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.10 1ugs n ASP 103 N -4.18 3.36 -4.75 1.44 8.00 -1.26 -4.95 116.55 114.21 1ugs n ASP 103 Ca -0.00 -1.99 -0.37 0.00 0.71 0.00 0.00 54.79 53.14 1ugs n ASP 103 Cb 0.22 -0.39 0.03 0.00 -0.02 0.00 0.00 41.12 40.96 1ugs n ASP 103 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ugs s ALA 104 N -1.23 2.70 0.90 2.24 0.00 -0.67 -4.97 121.76 120.73 1ugs s ALA 104 Ca 0.42 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.41 1ugs s ALA 104 Cb 0.22 -3.50 0.13 0.00 0.00 0.00 0.00 23.12 19.98 1ugs s ALA 104 CO 0.29 -1.21 1.09 -1.25 0.00 0.00 0.00 175.76 174.69 1ugs s PRO 105 N -3.07 1.22 0.52 0.00 0.04 -1.26 -5.05 135.00 127.40 1ugs s PRO 105 Ca 0.74 0.83 -0.03 0.00 0.04 0.00 0.00 61.00 62.57 1ugs s PRO 105 Cb -0.35 -1.80 -0.00 0.00 0.04 0.00 0.00 34.50 32.39 1ugs s PRO 105 CO 0.40 -2.27 0.78 -0.51 0.04 0.00 0.00 177.00 175.44 1ugs s LEU 106 N -6.24 3.46 0.47 -3.56 1.43 -1.26 -5.03 118.68 107.95 1ugs s LEU 106 Ca 0.64 0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 54.01 1ugs s LEU 106 Cb -0.18 -3.38 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 1ugs s LEU 106 CO 0.57 -0.86 1.40 -2.84 0.23 0.00 0.00 176.35 174.85 1ugs s PRO 107 N -4.77 3.59 0.44 1.29 0.02 -1.26 -4.94 135.00 129.37 1ugs s PRO 107 Ca 0.51 2.34 -0.26 0.00 0.02 0.00 0.00 61.00 63.62 1ugs s PRO 107 Cb -0.10 -2.57 -0.08 0.00 0.02 0.00 0.00 34.50 31.76 1ugs s PRO 107 CO 0.42 -0.87 1.40 -1.21 -0.33 0.00 0.00 177.00 176.41 1ugs s GLU 108 N -2.54 3.76 0.04 5.54 0.41 -1.26 -5.00 118.70 119.65 1ugs s GLU 108 Ca 0.63 2.37 -0.27 0.00 -0.41 0.00 0.00 54.97 57.29 1ugs s GLU 108 Cb -0.42 -2.69 0.08 0.00 -1.78 0.00 0.00 34.13 29.32 1ugs s GLU 108 CO 0.53 -0.74 0.70 -3.38 -0.49 0.00 0.00 175.26 171.88 1ugs s HIS 109 N -1.21 -0.54 0.11 1.61 -3.43 -1.26 -5.16 115.29 105.41 1ugs s HIS 109 Ca 0.60 0.62 -0.14 0.00 -0.80 0.00 0.00 55.06 55.34 1ugs s HIS 109 Cb -0.43 0.50 -0.07 0.00 -1.43 0.00 0.00 32.58 31.15 1ugs s HIS 109 CO 0.55 -0.68 0.51 -1.83 -2.00 0.00 0.00 174.74 171.28 1ugs s GLU 110 N -2.55 3.97 0.60 -0.38 -1.05 -1.26 -5.07 118.70 112.96 1ugs s GLU 110 Ca -0.03 0.46 -0.14 0.00 -0.15 0.00 0.00 54.97 55.11 1ugs s GLU 110 Cb -0.01 -3.02 -0.04 0.00 -0.44 0.00 0.00 34.13 30.63 1ugs s GLU 110 CO -0.03 0.54 1.04 -0.65 0.95 0.00 0.00 175.26 177.11 1ugs s GLN 111 N -1.73 3.39 -0.18 -4.83 -1.52 -1.26 -5.05 119.66 108.48 1ugs s GLN 111 Ca 0.34 1.05 -0.01 0.00 -1.95 0.00 0.00 55.36 54.79 1ugs s GLN 111 Cb -0.16 -2.05 0.05 0.00 -0.22 0.00 0.00 33.01 30.63 1ugs s GLN 111 CO 0.18 -0.74 -0.01 0.15 -0.25 0.00 0.00 175.29 174.62 1ugs s LYS 112 N -4.41 1.09 0.47 2.91 1.02 -1.26 -5.01 119.74 114.56 1ugs s LYS 112 Ca 0.60 -0.51 0.18 0.00 0.02 0.00 0.00 55.97 56.26 1ugs s LYS 112 Cb -0.14 -2.06 1.17 0.00 -0.52 0.00 0.00 37.83 36.28 1ugs s LYS 112 CO 0.42 -0.53 1.99 -1.00 -0.92 0.00 0.00 175.35 175.31 1ugs h PRO 113 N 8.16 0.24 0.00 -1.68 0.13 -2.01 -1.68 132.00 135.15 1ugs h PRO 113 Ca -0.20 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.88 1ugs h PRO 113 Cb 1.11 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1ugs h PRO 113 CO 0.37 0.16 -0.20 1.05 -0.23 0.00 0.00 178.00 179.14 1ugs h GLU 114 N 0.25 0.00 -0.05 0.86 9.09 -1.99 -1.32 114.58 121.42 1ugs h GLU 114 Ca 0.25 0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.49 1ugs h GLU 114 Cb 0.68 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.77 1ugs h GLU 114 CO -0.05 0.20 -0.71 -0.07 0.05 0.00 0.00 179.01 178.43 1ugs h LEU 115 N 0.00 0.32 -0.25 3.06 3.38 -1.74 -0.46 115.31 119.63 1ugs h LEU 115 Ca -0.00 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.59 1ugs h LEU 115 Cb 0.44 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.10 1ugs h LEU 115 CO 0.03 0.93 -0.51 0.40 0.09 0.00 0.00 178.44 179.38 1ugs h ILE 116 N 0.18 1.29 -0.57 1.22 1.08 -1.44 -2.05 117.51 117.23 1ugs h ILE 116 Ca -0.02 -1.71 0.03 0.00 -0.39 0.00 0.00 64.86 62.77 1ugs h ILE 116 Cb 1.27 1.74 -0.04 0.00 -3.07 0.00 0.00 36.82 36.72 1ugs h ILE 116 CO 0.11 0.55 0.34 -0.33 -0.69 0.00 0.00 178.15 178.13 1ugs h GLU 117 N 0.52 0.64 -0.19 2.37 5.08 -1.12 -1.05 114.58 120.84 1ugs h GLU 117 Ca 0.01 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ugs h GLU 117 Cb 1.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1ugs h GLU 117 CO 0.11 0.43 0.08 0.35 -1.00 0.00 0.00 179.01 178.98 1ugs h PHE 118 N 0.66 0.14 0.07 4.33 3.57 -0.93 -1.30 116.94 123.49 1ugs h PHE 118 Ca 0.23 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.76 1ugs h PHE 118 Cb 0.05 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 1ugs h PHE 118 CO -0.06 0.08 -0.18 0.28 -2.23 0.00 0.00 178.31 176.19 1ugs h VAL 119 N 0.17 0.57 -0.67 1.41 2.07 -0.82 0.07 116.25 119.06 1ugs h VAL 119 Ca 0.08 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1ugs h VAL 119 Cb 0.04 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1ugs h VAL 119 CO -0.07 0.00 0.44 0.78 0.02 0.00 0.00 177.57 178.74 1ugs h ASN 120 N -0.34 0.77 -0.37 0.57 2.35 -1.09 -0.32 115.58 117.16 1ugs h ASN 120 Ca 0.03 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1ugs h ASN 120 Cb 0.37 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 1ugs h ASN 120 CO -0.12 0.57 0.17 1.56 -1.65 0.00 0.00 177.43 177.96 1ugs h GLN 121 N 0.91 0.53 -0.48 0.81 4.20 -0.96 -0.94 115.11 119.17 1ugs h GLN 121 Ca 0.24 -0.08 -0.09 0.00 0.06 0.00 0.00 58.65 58.78 1ugs h GLN 121 Cb -0.10 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 27.57 1ugs h GLN 121 CO -0.05 0.48 -0.05 0.00 -0.67 0.00 0.00 178.83 178.54 1ugs h ALA 122 N 1.02 0.66 0.01 3.87 0.00 -0.74 0.58 119.26 124.66 1ugs h ALA 122 Ca 0.13 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 1ugs h ALA 122 Cb 0.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ugs h ALA 122 CO -0.02 0.51 -0.00 0.28 0.00 0.00 0.00 179.25 180.02 1ugs h VAL 123 N 0.74 1.25 0.00 0.00 2.07 -0.96 0.21 116.25 119.56 1ugs h VAL 123 Ca 0.13 -0.77 -0.20 0.00 0.82 0.00 0.00 66.70 66.69 1ugs h VAL 123 Cb 0.58 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 1ugs h VAL 123 CO 0.03 0.20 -1.28 1.88 0.02 0.00 0.00 177.57 178.43 1ugs h TYR 124 N -0.34 0.00 0.00 1.57 0.05 -1.22 -3.35 116.97 113.68 1ugs h TYR 124 Ca -0.00 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 1ugs h TYR 124 Cb 0.33 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.04 1ugs h TYR 124 CO 0.04 0.76 -1.74 0.41 -1.05 0.00 0.00 178.16 176.58 1ugs n GLY 125 N 1.40 -1.11 0.06 3.88 0.00 0.20 -5.07 105.19 104.56 1ugs n GLY 125 Ca -0.08 -0.22 0.01 0.00 0.00 0.00 0.00 46.02 45.73 1ugs n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ugs n GLY 126 N 1.47 -1.43 2.33 -0.02 0.00 0.73 -4.73 105.19 103.54 1ugs n GLY 126 Ca -0.15 -1.52 -0.26 0.00 0.00 0.00 0.00 46.02 44.10 1ugs n GLY 126 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugs n LEU 127 N -1.41 2.28 -4.64 0.99 4.77 -1.26 -4.70 117.00 113.03 1ugs n LEU 127 Ca 0.00 -5.14 -0.49 0.00 -0.03 0.00 0.00 56.01 50.36 1ugs n LEU 127 Cb 0.03 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 40.96 1ugs n LEU 127 CO 0.00 2.07 1.07 -0.81 -1.33 0.00 0.00 177.39 178.40 1ugs n PRO 128 N 1.04 1.73 0.00 3.23 -0.04 -1.26 -4.90 135.00 134.80 1ugs n PRO 128 Ca 0.26 0.62 0.11 0.00 -0.04 0.00 0.00 63.50 64.46 1ugs n PRO 128 Cb 0.46 -2.34 0.06 0.00 -0.04 0.00 0.00 33.50 31.65 1ugs n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ugs n ALA 129 N 3.05 2.82 -1.77 0.55 0.00 -1.26 -4.96 120.51 118.95 1ugs n ALA 129 Ca 0.18 -0.67 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 1ugs n ALA 129 Cb 0.25 -0.79 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 1ugs n ALA 129 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1ugs s SER 130 N -2.12 6.77 0.10 0.00 1.04 -1.26 -1.69 113.70 116.54 1ugs s SER 130 Ca 0.24 2.44 -0.05 0.00 0.48 0.00 0.00 55.95 59.07 1ugs s SER 130 Cb 0.19 -2.63 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 1ugs s SER 130 CO 0.38 -0.51 0.12 -0.13 0.98 0.00 0.00 173.24 174.08 1ugs s ARG 131 N -1.94 0.85 -0.06 4.02 1.81 0.06 -4.92 118.95 118.77 1ugs s ARG 131 Ca 0.52 -1.17 -0.04 0.00 -1.72 0.00 0.00 55.73 53.31 1ugs s ARG 131 Cb -0.34 0.29 -0.04 0.00 -0.45 0.00 0.00 34.95 34.41 1ugs s ARG 131 CO 0.44 -0.25 0.12 -1.21 -0.68 0.00 0.00 175.30 173.72 1ugs s GLU 132 N -3.94 3.31 0.18 3.54 2.02 -1.26 -3.89 118.70 118.66 1ugs s GLU 132 Ca 0.12 -0.29 0.04 0.00 0.02 0.00 0.00 54.97 54.86 1ugs s GLU 132 Cb 0.06 -3.05 -0.05 0.00 0.10 0.00 0.00 34.13 31.20 1ugs s GLU 132 CO -0.06 0.71 -0.07 0.14 0.02 0.00 0.00 175.26 176.00 1ugs s VAL 133 N -1.13 1.16 -0.12 2.63 -7.23 -1.26 -5.02 120.40 109.42 1ugs s VAL 133 Ca 0.20 -2.06 0.14 0.00 -1.81 0.00 0.00 61.98 58.45 1ugs s VAL 133 Cb -0.12 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 34.82 1ugs s VAL 133 CO 0.10 -0.61 1.37 0.44 -0.31 0.00 0.00 175.10 176.09 1ugs h ASP 134 N 2.67 0.00 -3.62 4.85 5.19 -1.99 -3.46 116.42 120.06 1ugs h ASP 134 Ca -0.37 0.00 -0.51 0.00 -0.62 0.00 0.00 57.03 55.53 1ugs h ASP 134 Cb 1.20 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.68 1ugs h ASP 134 CO 0.64 0.57 0.18 0.00 -3.12 0.00 0.00 179.24 177.51 1ugs s ARG 135 N -2.92 4.42 0.70 3.56 1.70 -1.26 -5.07 118.95 120.08 1ugs s ARG 135 Ca 0.03 1.05 -0.11 0.00 -0.47 0.00 0.00 55.73 56.23 1ugs s ARG 135 Cb 0.08 -2.98 0.01 0.00 -0.57 0.00 0.00 34.95 31.49 1ugs s ARG 135 CO 0.76 0.43 1.10 -1.25 -1.08 0.00 0.00 175.30 175.25 1ugs s PRO 136 N -1.74 2.87 0.30 3.89 0.04 -1.26 -4.99 135.00 134.11 1ugs s PRO 136 Ca 0.42 0.48 -0.29 0.00 0.04 0.00 0.00 61.00 61.65 1ugs s PRO 136 Cb -0.19 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 1ugs s PRO 136 CO 0.23 -1.03 1.44 -1.25 0.04 0.00 0.00 177.00 176.43 1ugs s PRO 137 N -5.35 4.23 0.16 0.56 0.04 -1.26 -4.92 135.00 128.46 1ugs s PRO 137 Ca 0.58 2.38 0.04 0.00 0.04 0.00 0.00 61.00 64.04 1ugs s PRO 137 Cb -0.11 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1ugs s PRO 137 CO 0.52 -0.42 1.35 -0.22 0.04 0.00 0.00 177.00 178.27 1ugs h LYS 138 N 4.21 0.14 -5.67 4.56 3.64 -1.99 -3.46 116.57 118.00 1ugs h LYS 138 Ca -0.48 -0.17 -0.62 0.00 -1.27 0.00 0.00 60.65 58.11 1ugs h LYS 138 Cb 1.22 0.05 -0.12 0.00 -0.41 0.00 0.00 32.23 32.98 1ugs h LYS 138 CO 0.72 0.96 -0.57 -0.06 -2.27 0.00 0.00 179.45 178.24 1ugs s PHE 139 N -3.08 2.46 0.20 1.91 0.40 -1.26 -5.10 117.98 113.51 1ugs s PHE 139 Ca -0.02 -0.68 -0.10 0.00 -0.60 0.00 0.00 56.93 55.53 1ugs s PHE 139 Cb 0.10 -1.80 -0.01 0.00 0.51 0.00 0.00 43.02 41.82 1ugs s PHE 139 CO 0.83 0.36 0.35 -1.59 0.70 0.00 0.00 175.22 175.86 1ugs s LYS 140 N -3.78 1.30 0.22 0.44 -2.85 -1.26 -4.98 119.74 108.84 1ugs s LYS 140 Ca 0.33 -1.22 -0.31 0.00 -1.00 0.00 0.00 55.97 53.78 1ugs s LYS 140 Cb 0.08 0.41 -0.15 0.00 -2.06 0.00 0.00 37.83 36.11 1ugs s LYS 140 CO 0.18 -0.50 1.18 0.39 0.10 0.00 0.00 175.35 176.69 1ugs n GLU 141 N -0.28 1.43 0.00 1.78 1.02 -1.26 -1.68 120.64 121.64 1ugs n GLU 141 Ca -0.05 0.51 0.00 0.00 -0.02 0.00 0.00 57.16 57.60 1ugs n GLU 141 Cb 0.63 -2.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.04 1ugs n GLU 141 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ugs n GLY 142 N 1.80 3.00 3.77 0.62 0.00 -0.41 -4.98 105.19 108.99 1ugs n GLY 142 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.74 1ugs n GLY 142 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ugs s ASP 143 N -1.23 6.68 -0.26 1.61 1.01 -0.68 -4.73 116.67 119.07 1ugs s ASP 143 Ca 0.00 2.67 -0.12 0.00 0.71 0.00 0.00 52.55 55.81 1ugs s ASP 143 Cb 0.00 -2.65 -0.05 0.00 1.01 0.00 0.00 42.92 41.24 1ugs s ASP 143 CO 0.00 -0.60 0.23 -0.69 0.21 0.00 0.00 175.17 174.32 1ugs s VAL 144 N -1.17 5.29 0.25 -1.27 1.01 0.23 -0.58 120.40 124.15 1ugs s VAL 144 Ca 0.51 0.29 0.06 0.00 0.00 0.00 0.00 61.98 62.84 1ugs s VAL 144 Cb -0.39 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.37 1ugs s VAL 144 CO 0.52 0.26 -0.06 0.68 0.00 0.00 0.00 175.10 176.50 1ugs s VAL 145 N 1.57 1.49 -0.09 2.92 -7.23 0.26 0.17 120.40 119.48 1ugs s VAL 145 Ca 0.10 -2.11 0.04 0.00 -1.81 0.00 0.00 61.98 58.20 1ugs s VAL 145 Cb -0.15 -2.33 -0.00 0.00 0.56 0.00 0.00 36.38 34.45 1ugs s VAL 145 CO 0.09 -0.37 -0.24 -0.60 -0.31 0.00 0.00 175.10 173.67 1ugs s ARG 146 N -3.75 2.98 0.16 4.82 3.52 -0.38 -0.77 118.95 125.53 1ugs s ARG 146 Ca 0.28 -0.87 -0.30 0.00 -0.13 0.00 0.00 55.73 54.70 1ugs s ARG 146 Cb 0.03 -2.29 -0.07 0.00 -1.56 0.00 0.00 34.95 31.06 1ugs s ARG 146 CO 0.10 0.22 1.05 0.12 -0.81 0.00 0.00 175.30 175.98 1ugs s PHE 147 N 0.24 3.68 0.59 5.12 5.36 -0.01 -2.23 117.98 130.73 1ugs s PHE 147 Ca -0.16 1.67 -0.19 0.00 -0.96 0.00 0.00 56.93 57.29 1ugs s PHE 147 Cb -0.17 -3.20 -0.05 0.00 -0.34 0.00 0.00 43.02 39.26 1ugs s PHE 147 CO 0.08 -0.32 0.96 0.45 -1.46 0.00 0.00 175.22 174.93 1ugs n SER 148 N 2.51 0.79 -1.35 6.13 2.88 0.11 -0.34 113.62 124.35 1ugs n SER 148 Ca 0.03 0.82 0.08 0.00 -1.33 0.00 0.00 58.87 58.47 1ugs n SER 148 Cb 0.47 -1.38 0.32 0.00 -0.75 0.00 0.00 64.21 62.86 1ugs n SER 148 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1ugs n THR 149 N -1.62 1.93 -1.67 2.46 -2.24 -1.26 -3.34 114.28 108.54 1ugs n THR 149 Ca 0.13 -1.34 -0.35 0.00 -2.27 0.00 0.00 64.05 60.23 1ugs n THR 149 Cb 0.47 0.05 0.07 0.00 -2.10 0.00 0.00 70.33 68.82 1ugs n THR 149 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugs s ALA 150 N -2.04 2.31 -0.46 6.98 0.00 -1.26 -4.99 121.76 122.31 1ugs s ALA 150 Ca 0.46 0.87 0.07 0.00 0.00 0.00 0.00 51.96 53.36 1ugs s ALA 150 Cb 0.31 -3.44 0.24 0.00 0.00 0.00 0.00 23.12 20.23 1ugs s ALA 150 CO 0.19 -1.55 0.55 -1.13 0.00 0.00 0.00 175.76 173.82 1ugs n SER 151 N -2.31 0.97 -4.70 0.00 3.41 -1.26 -5.09 113.62 104.64 1ugs n SER 151 Ca 0.13 -2.84 -0.42 0.00 -0.26 0.00 0.00 58.87 55.49 1ugs n SER 151 Cb 0.50 -0.64 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1ugs n SER 151 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1ugs n PRO 152 N 1.47 2.01 0.13 4.33 -0.04 -1.26 -4.89 135.00 136.75 1ugs n PRO 152 Ca 0.24 0.71 0.12 0.00 -0.04 0.00 0.00 63.50 64.53 1ugs n PRO 152 Cb 0.49 -2.36 0.18 0.00 -0.04 0.00 0.00 33.50 31.78 1ugs n PRO 152 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1ugs h LYS 153 N 2.28 0.00 0.00 0.54 1.57 -1.99 -2.88 116.57 116.09 1ugs h LYS 153 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1ugs h LYS 153 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1ugs h LYS 153 CO 0.61 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.90 1ugs n GLY 154 N 1.22 1.01 3.77 3.86 0.00 -1.26 -4.31 105.19 109.47 1ugs n GLY 154 Ca 0.03 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.69 1ugs n GLY 154 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ugs s HIS 155 N 0.62 2.85 -0.03 1.61 2.46 -1.26 0.24 115.29 121.77 1ugs s HIS 155 Ca 0.00 1.46 -0.30 0.00 0.47 0.00 0.00 55.06 56.69 1ugs s HIS 155 Cb 0.00 -3.57 0.11 0.00 -0.13 0.00 0.00 32.58 28.99 1ugs s HIS 155 CO 0.00 -1.88 1.03 0.00 -2.47 0.00 0.00 174.74 171.42 1ugs s ALA 156 N -1.34 -1.91 -0.70 1.58 0.00 -1.26 -4.14 121.76 113.99 1ugs s ALA 156 Ca 0.59 1.01 0.03 0.00 0.00 0.00 0.00 51.96 53.59 1ugs s ALA 156 Cb -0.35 0.30 0.34 0.00 0.00 0.00 0.00 23.12 23.41 1ugs s ALA 156 CO 0.44 -0.75 1.26 0.54 0.00 0.00 0.00 175.76 177.25 1ugs n ARG 157 N -0.26 3.84 -3.61 0.00 5.12 -1.26 -4.61 116.66 115.88 1ugs n ARG 157 Ca -0.06 -4.70 -0.32 0.00 -1.93 0.00 0.00 57.85 50.84 1ugs n ARG 157 Cb 0.61 -2.30 -0.08 0.00 -1.16 0.00 0.00 32.46 29.52 1ugs n ARG 157 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1ugs n ARG 158 N -0.24 2.53 -1.63 5.56 1.74 -1.26 -5.00 116.66 118.36 1ugs n ARG 158 Ca 0.37 -4.55 -0.51 0.00 -0.77 0.00 0.00 57.85 52.40 1ugs n ARG 158 Cb 0.38 -2.34 -0.06 0.00 -1.02 0.00 0.00 32.46 29.42 1ugs n ARG 158 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1ugs n ALA 159 N 1.70 -0.28 -0.14 7.54 0.00 -1.26 -4.82 120.51 123.26 1ugs n ALA 159 Ca 0.24 0.48 0.21 0.00 0.00 0.00 0.00 53.44 54.37 1ugs n ALA 159 Cb 0.37 -2.17 0.62 0.00 0.00 0.00 0.00 19.45 18.27 1ugs n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ugs h ARG 160 N 5.39 0.17 0.00 0.00 3.08 -1.91 -1.79 114.38 119.32 1ugs h ARG 160 Ca -0.47 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1ugs h ARG 160 Cb 1.31 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.32 1ugs h ARG 160 CO 0.83 0.11 0.00 2.48 -1.07 0.00 0.00 179.97 182.32 1ugs n TYR 161 N -4.40 0.55 0.54 3.04 4.11 -1.26 -2.88 117.16 116.86 1ugs n TYR 161 Ca 0.15 0.22 0.07 0.00 -0.00 0.00 0.00 57.90 58.34 1ugs n TYR 161 Cb 0.71 -0.85 -0.09 0.00 -0.00 0.00 0.00 39.34 39.11 1ugs n TYR 161 CO 0.00 0.00 0.00 1.33 -0.00 0.00 0.00 176.86 178.19 1ugs n VAL 162 N -2.00 0.00 -1.74 -3.48 0.24 -0.68 -4.89 118.33 105.79 1ugs n VAL 162 Ca 0.03 -0.20 -0.42 0.00 -2.04 0.00 0.00 64.34 61.71 1ugs n VAL 162 Cb 0.21 0.80 -0.02 0.00 -1.47 0.00 0.00 33.84 33.36 1ugs n VAL 162 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1ugs n ARG 163 N -1.51 2.63 -0.81 7.34 1.74 -1.14 -1.66 116.66 123.26 1ugs n ARG 163 Ca 0.02 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.03 1ugs n ARG 163 Cb 0.27 -2.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.00 1ugs n ARG 163 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ugs n GLY 164 N 2.26 0.66 3.86 -0.13 0.00 0.54 -4.94 105.19 107.44 1ugs n GLY 164 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1ugs n GLY 164 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ugs s LYS 165 N -0.35 3.92 -0.15 1.61 -0.14 -0.66 -4.72 119.74 119.24 1ugs s LYS 165 Ca 0.00 0.48 -0.07 0.00 -1.36 0.00 0.00 55.97 55.01 1ugs s LYS 165 Cb 0.00 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 1ugs s LYS 165 CO 0.00 0.27 0.12 0.99 -0.76 0.00 0.00 175.35 175.96 1ugs s THR 166 N -1.84 5.29 0.29 2.17 2.01 -1.26 -0.83 115.64 121.47 1ugs s THR 166 Ca 0.49 0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.62 1ugs s THR 166 Cb -0.11 -3.34 0.00 0.00 0.01 0.00 0.00 72.50 69.06 1ugs s THR 166 CO 0.19 0.55 0.39 0.61 -0.69 0.00 0.00 174.62 175.67 1ugs n GLY 167 N 2.63 2.38 3.30 4.40 0.00 0.05 -4.71 105.19 113.25 1ugs n GLY 167 Ca -0.18 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 43.91 1ugs n GLY 167 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ugs s THR 168 N -2.79 2.44 0.08 2.61 2.01 -0.31 -0.57 115.64 119.11 1ugs s THR 168 Ca 0.25 -0.90 -0.31 0.00 0.31 0.00 0.00 61.69 61.04 1ugs s THR 168 Cb -0.01 -1.95 -0.09 0.00 0.01 0.00 0.00 72.50 70.46 1ugs s THR 168 CO 0.18 0.56 1.69 -0.69 -0.69 0.00 0.00 174.62 175.67 1ugs s VAL 169 N 0.09 2.95 -0.19 3.82 1.01 0.25 -0.69 120.40 127.64 1ugs s VAL 169 Ca -0.09 0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.35 1ugs s VAL 169 Cb -0.15 -3.25 -0.22 0.00 0.00 0.00 0.00 36.38 32.75 1ugs s VAL 169 CO 0.06 -0.00 0.06 0.52 0.00 0.00 0.00 175.10 175.73 1ugs n VAL 170 N 4.76 1.51 -3.59 2.92 0.31 0.83 -1.29 118.33 123.78 1ugs n VAL 170 Ca 0.16 -0.71 -0.12 0.00 -0.01 0.00 0.00 64.34 63.67 1ugs n VAL 170 Cb 0.40 -1.10 -0.06 0.00 -0.91 0.00 0.00 33.84 32.17 1ugs n VAL 170 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1ugs s LYS 171 N -2.52 0.68 -0.23 5.55 2.20 -1.16 -4.82 119.74 119.44 1ugs s LYS 171 Ca -0.21 0.40 -0.09 0.00 -0.36 0.00 0.00 55.97 55.71 1ugs s LYS 171 Cb 0.08 0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 1ugs s LYS 171 CO 0.73 -0.16 0.11 -1.58 -0.36 0.00 0.00 175.35 174.09 1ugs s HIS 172 N -0.54 3.23 -2.35 4.03 5.65 -1.26 -1.17 115.29 122.89 1ugs s HIS 172 Ca -0.02 0.03 0.22 0.00 0.25 0.00 0.00 55.06 55.54 1ugs s HIS 172 Cb -0.02 -2.21 0.09 0.00 -1.18 0.00 0.00 32.58 29.25 1ugs s HIS 172 CO 0.01 -0.02 1.12 0.72 -0.65 0.00 0.00 174.74 175.91 1ugs n HIS 173 N 4.26 0.00 0.00 3.88 -0.00 -0.13 -5.01 115.22 118.22 1ugs n HIS 173 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1ugs n HIS 173 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 1ugs n HIS 173 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1ugs n GLY 174 N 1.30 -2.60 3.89 -1.41 0.00 -1.26 -4.93 105.19 100.20 1ugs n GLY 174 Ca 0.11 -2.11 -0.32 0.00 0.00 0.00 0.00 46.02 43.70 1ugs n GLY 174 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ugs s ALA 175 N -1.56 3.81 0.15 4.61 0.00 -1.25 -0.51 121.76 127.01 1ugs s ALA 175 Ca 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1ugs s ALA 175 Cb 0.00 -2.11 -0.03 0.00 0.00 0.00 0.00 23.12 20.97 1ugs s ALA 175 CO 0.00 0.67 0.12 0.71 0.00 0.00 0.00 175.76 177.26 1ugs s TYR 176 N -1.59 0.83 0.24 0.00 1.51 -0.42 -0.76 117.35 117.17 1ugs s TYR 176 Ca 0.39 -1.17 -0.30 0.00 -1.01 0.00 0.00 57.07 54.97 1ugs s TYR 176 Cb -0.12 -0.41 -0.14 0.00 -0.11 0.00 0.00 41.96 41.17 1ugs s TYR 176 CO 0.23 -0.59 1.15 -0.89 -1.11 0.00 0.00 175.55 174.35 1ugs n ILE 177 N -0.15 1.43 -3.28 2.71 5.41 -0.68 -1.54 119.36 123.25 1ugs n ILE 177 Ca -0.04 -0.36 -0.41 0.00 1.00 0.00 0.00 62.75 62.94 1ugs n ILE 177 Cb 0.64 -1.07 -0.08 0.00 -0.71 0.00 0.00 39.64 38.42 1ugs n ILE 177 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1ugs s TYR 178 N -0.58 3.21 0.20 1.39 5.04 0.05 -4.77 117.35 121.88 1ugs s TYR 178 Ca 0.65 0.26 -0.10 0.00 -2.44 0.00 0.00 57.07 55.44 1ugs s TYR 178 Cb -0.73 -2.81 0.24 0.00 0.35 0.00 0.00 41.96 39.01 1ugs s TYR 178 CO 0.56 -0.44 1.75 -1.35 -1.34 0.00 0.00 175.55 174.73 1ugs h PRO 179 N 8.35 0.42 -0.05 4.97 0.11 -1.91 -0.89 132.00 143.00 1ugs h PRO 179 Ca -0.29 -0.03 0.01 0.00 0.11 0.00 0.00 66.00 65.81 1ugs h PRO 179 Cb 1.13 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ugs h PRO 179 CO 0.73 0.28 0.22 -0.44 -0.21 0.00 0.00 178.00 178.58 1ugs h ASP 180 N 0.43 0.00 0.00 -2.05 3.45 -1.95 0.14 116.42 116.44 1ugs h ASP 180 Ca 0.29 0.00 -0.24 0.00 0.43 0.00 0.00 57.03 57.51 1ugs h ASP 180 Cb 0.31 0.00 -0.04 0.00 -0.56 0.00 0.00 39.33 39.05 1ugs h ASP 180 CO -0.27 0.00 -1.71 0.35 -1.57 0.00 0.00 179.24 176.05 1ugs n THR 181 N -3.13 1.17 -0.12 0.35 -2.24 -1.02 -4.49 114.28 104.80 1ugs n THR 181 Ca -0.01 -0.14 -0.05 0.00 -2.27 0.00 0.00 64.05 61.58 1ugs n THR 181 Cb 0.29 -1.87 0.03 0.00 -2.10 0.00 0.00 70.33 66.68 1ugs n THR 181 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ugs h ALA 182 N -0.70 0.38 0.00 6.98 0.00 0.46 0.23 119.26 126.60 1ugs h ALA 182 Ca -0.36 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ugs h ALA 182 Cb 1.23 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.19 1ugs h ALA 182 CO -0.22 -0.37 0.00 0.41 0.00 0.00 0.00 179.25 179.07 1ugs n GLY 183 N -1.26 -1.04 0.82 0.00 0.00 0.46 -2.14 105.19 102.04 1ugs n GLY 183 Ca 0.02 0.08 0.07 0.00 0.00 0.00 0.00 46.02 46.19 1ugs n GLY 183 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ugs n ASN 184 N -2.04 3.45 -1.78 1.61 3.02 -0.53 -4.27 115.26 114.73 1ugs n ASN 184 Ca 0.01 -3.15 -0.17 0.00 -0.03 0.00 0.00 54.58 51.24 1ugs n ASN 184 Cb 0.14 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.75 1ugs n ASN 184 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ugs n GLY 185 N -0.74 0.13 0.94 7.41 0.00 -0.91 -4.89 105.19 107.13 1ugs n GLY 185 Ca 0.23 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 46.13 1ugs n GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ugs n LEU 186 N -2.30 3.55 0.00 0.99 4.77 0.68 -5.00 117.00 119.69 1ugs n LEU 186 Ca -0.19 -2.26 0.00 0.00 -0.03 0.00 0.00 56.01 53.53 1ugs n LEU 186 Cb 0.63 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1ugs n LEU 186 CO 0.24 0.77 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1ugs n GLY 187 N 0.59 0.48 0.28 -0.72 0.00 -1.24 -4.71 105.19 99.87 1ugs n GLY 187 Ca 0.17 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.27 1ugs n GLY 187 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ugs h GLU 188 N 0.00 0.86 -7.00 1.61 5.08 -1.90 0.05 114.58 113.27 1ugs h GLU 188 Ca 0.00 -0.28 -0.14 0.00 -1.00 0.00 0.00 59.36 57.94 1ugs h GLU 188 Cb 0.00 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 1ugs h GLU 188 CO 0.00 0.91 -0.25 0.00 -1.00 0.00 0.00 179.01 178.67 1ugs n PRO 190 N -1.77 0.85 -4.05 0.00 -0.02 -1.26 -4.07 135.00 124.68 1ugs n PRO 190 Ca -0.04 0.30 -0.13 0.00 -2.02 0.00 0.00 63.50 61.62 1ugs n PRO 190 Cb 0.14 -1.58 -0.11 0.00 -0.02 0.00 0.00 33.50 31.92 1ugs n PRO 190 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1ugs s GLU 191 N -1.46 0.50 0.50 -0.52 0.41 -0.59 -4.89 118.70 112.66 1ugs s GLU 191 Ca 0.61 -0.74 -0.23 0.00 -0.41 0.00 0.00 54.97 54.21 1ugs s GLU 191 Cb -0.72 -0.25 -0.06 0.00 -1.78 0.00 0.00 34.13 31.33 1ugs s GLU 191 CO 0.58 0.04 1.33 -1.01 -0.49 0.00 0.00 175.26 175.71 1ugs s HIS 192 N -1.38 2.46 -0.05 1.61 3.76 -1.26 -1.30 115.29 119.13 1ugs s HIS 192 Ca -0.11 1.39 0.05 0.00 -0.15 0.00 0.00 55.06 56.24 1ugs s HIS 192 Cb -0.10 -3.73 -0.02 0.00 1.11 0.00 0.00 32.58 29.84 1ugs s HIS 192 CO 0.00 -2.58 -0.19 -1.17 -0.85 0.00 0.00 174.74 169.95 1ugs s LEU 193 N -3.23 2.42 0.04 0.89 2.96 0.34 -0.41 118.68 121.68 1ugs s LEU 193 Ca 0.67 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1ugs s LEU 193 Cb -0.38 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 44.82 1ugs s LEU 193 CO 0.47 0.30 -0.08 -0.31 -1.32 0.00 0.00 176.35 175.40 1ugs s TYR 194 N -0.44 0.67 -0.18 5.38 1.51 -0.09 -0.95 117.35 123.25 1ugs s TYR 194 Ca 0.05 -0.45 -0.11 0.00 -1.01 0.00 0.00 57.07 55.55 1ugs s TYR 194 Cb -0.12 -0.40 -0.05 0.00 -0.11 0.00 0.00 41.96 41.28 1ugs s TYR 194 CO 0.01 -0.07 0.17 0.99 -1.11 0.00 0.00 175.55 175.55 1ugs s THR 195 N -1.24 5.39 -0.02 -0.71 2.01 -0.31 0.72 115.64 121.48 1ugs s THR 195 Ca -0.08 0.28 0.07 0.00 0.31 0.00 0.00 61.69 62.28 1ugs s THR 195 Cb -0.09 -3.50 -0.02 0.00 0.01 0.00 0.00 72.50 68.90 1ugs s THR 195 CO 0.00 0.45 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.45 1ugs s VAL 196 N 0.23 1.94 -0.20 3.82 1.01 0.22 -0.12 120.40 127.30 1ugs s VAL 196 Ca 0.11 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.94 1ugs s VAL 196 Cb -0.12 -1.61 -0.05 0.00 0.00 0.00 0.00 36.38 34.60 1ugs s VAL 196 CO 0.00 0.55 0.16 -0.60 0.00 0.00 0.00 175.10 175.21 1ugs s ARG 197 N -0.54 4.19 -0.09 2.72 3.52 0.14 -1.07 118.95 127.81 1ugs s ARG 197 Ca 0.08 -0.17 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 1ugs s ARG 197 Cb -0.10 -3.43 0.01 0.00 -1.56 0.00 0.00 34.95 29.87 1ugs s ARG 197 CO -0.01 0.26 -0.16 -0.06 -0.81 0.00 0.00 175.30 174.52 1ugs s PHE 198 N 0.46 1.92 0.65 5.12 0.40 0.03 -1.16 117.98 125.40 1ugs s PHE 198 Ca 0.09 -0.80 -0.15 0.00 -0.60 0.00 0.00 56.93 55.47 1ugs s PHE 198 Cb -0.12 -1.36 -0.01 0.00 0.51 0.00 0.00 43.02 42.05 1ugs s PHE 198 CO -0.00 -0.38 1.10 0.95 0.70 0.00 0.00 175.22 177.58 1ugs s THR 199 N 0.69 3.36 0.37 0.64 -4.23 -1.26 0.06 115.64 115.28 1ugs s THR 199 Ca -0.13 0.63 0.06 0.00 -1.18 0.00 0.00 61.69 61.07 1ugs s THR 199 Cb -0.16 -3.15 0.19 0.00 1.34 0.00 0.00 72.50 70.72 1ugs s THR 199 CO 0.03 -0.40 1.95 0.00 -0.54 0.00 0.00 174.62 175.66 1ugs h ALA 200 N 0.07 1.51 -0.37 3.99 0.00 -1.31 -2.13 119.26 121.01 1ugs h ALA 200 Ca -0.47 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.21 1ugs h ALA 200 Cb 1.24 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1ugs h ALA 200 CO 0.55 0.36 -0.15 1.96 0.00 0.00 0.00 179.25 181.96 1ugs h GLN 201 N 0.46 0.68 -0.38 0.00 7.50 -1.77 0.24 115.11 121.83 1ugs h GLN 201 Ca 0.11 -0.23 -0.08 0.00 0.50 0.00 0.00 58.65 58.94 1ugs h GLN 201 Cb 0.21 -0.05 -0.01 0.00 0.05 0.00 0.00 27.48 27.67 1ugs h GLN 201 CO -0.00 0.80 -0.07 1.49 -1.50 0.00 0.00 178.83 179.55 1ugs h GLU 202 N 0.61 0.72 -0.06 1.46 4.57 -1.70 0.25 114.58 120.43 1ugs h GLU 202 Ca 0.10 -0.27 -0.06 0.00 -1.18 0.00 0.00 59.36 57.95 1ugs h GLU 202 Cb 0.61 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 1ugs h GLU 202 CO 0.04 0.86 -0.20 -0.07 -1.18 0.00 0.00 179.01 178.45 1ugs h LEU 203 N 0.53 0.29 -1.41 1.64 3.38 -1.16 -3.38 115.31 115.19 1ugs h LEU 203 Ca 0.10 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1ugs h LEU 203 Cb 0.58 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1ugs h LEU 203 CO 0.03 0.86 -0.02 0.79 0.09 0.00 0.00 178.44 180.19 1ugs n TRP 204 N -4.54 0.00 -4.37 1.13 7.02 0.81 -5.04 117.44 112.45 1ugs n TRP 204 Ca -0.08 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.40 1ugs n TRP 204 Cb 0.43 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.32 1ugs n TRP 204 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1ugs n GLY 205 N 0.71 -0.09 0.32 6.99 0.00 0.88 -3.49 105.19 110.52 1ugs n GLY 205 Ca 0.07 -0.99 0.16 0.00 0.00 0.00 0.00 46.02 45.26 1ugs n GLY 205 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ugs h PRO 206 N 0.00 0.00 0.00 1.61 0.13 -1.93 -1.72 132.00 130.09 1ugs h PRO 206 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1ugs h PRO 206 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1ugs h PRO 206 CO 0.00 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.16 1ugs n GLU 207 N -4.07 0.25 -2.72 0.86 4.71 -1.23 -4.82 120.64 113.63 1ugs n GLU 207 Ca 0.02 0.11 -0.33 0.00 -0.01 0.00 0.00 57.16 56.94 1ugs n GLU 207 Cb 0.30 -1.50 -0.06 0.00 -1.01 0.00 0.00 31.44 29.17 1ugs n GLU 207 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 1ugs s GLY 208 N -2.63 2.30 0.14 0.62 0.00 -0.65 -4.99 107.32 102.12 1ugs s GLY 208 Ca 0.18 0.33 -0.32 0.00 0.00 0.00 0.00 44.72 44.91 1ugs s GLY 208 CO 0.31 0.61 1.76 1.34 0.00 0.00 0.00 173.10 177.12 1ugs n ASP 209 N -0.88 3.82 0.25 1.64 -0.08 -1.26 -4.74 116.55 115.31 1ugs n ASP 209 Ca 0.07 1.02 0.17 0.00 -1.51 0.00 0.00 54.79 54.54 1ugs n ASP 209 Cb 0.54 -1.52 0.85 0.00 2.34 0.00 0.00 41.12 43.33 1ugs n ASP 209 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1ugs h PRO 210 N 7.63 0.00 -1.87 -0.67 0.13 -1.94 -3.22 132.00 132.06 1ugs h PRO 210 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.16 1ugs h PRO 210 Cb 1.23 0.00 -0.41 0.00 0.13 0.00 0.00 31.00 31.95 1ugs h PRO 210 CO 0.94 0.00 -0.95 -1.71 -0.23 0.00 0.00 178.00 176.05 1ugs n ASN 211 N -2.75 2.69 -3.78 1.44 5.15 -1.26 -5.00 115.26 111.75 1ugs n ASN 211 Ca -0.01 -3.29 -0.12 0.00 -0.60 0.00 0.00 54.58 50.56 1ugs n ASN 211 Cb 0.13 -0.56 -0.08 0.00 -0.53 0.00 0.00 39.78 38.74 1ugs n ASN 211 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 1ugs s SER 212 N -3.04 -0.12 0.01 1.20 0.15 -1.21 -5.09 113.70 105.59 1ugs s SER 212 Ca 0.42 -0.09 -0.04 0.00 0.70 0.00 0.00 55.95 56.95 1ugs s SER 212 Cb 0.35 0.31 -0.01 0.00 -1.71 0.00 0.00 66.02 64.96 1ugs s SER 212 CO -0.10 -0.51 0.05 -0.44 1.20 0.00 0.00 173.24 173.45 1ugs s SER 213 N -1.66 0.14 -0.10 5.45 0.01 -1.26 -1.02 113.70 115.25 1ugs s SER 213 Ca -0.10 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.82 1ugs s SER 213 Cb -0.04 0.15 -0.01 0.00 0.21 0.00 0.00 66.02 66.33 1ugs s SER 213 CO 0.01 -0.34 -0.16 -0.69 0.41 0.00 0.00 173.24 172.46 1ugs s VAL 214 N -1.46 2.80 -0.23 3.43 1.01 0.11 -4.91 120.40 121.15 1ugs s VAL 214 Ca -0.15 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.97 1ugs s VAL 214 Cb -0.09 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1ugs s VAL 214 CO 0.00 0.55 0.12 -0.31 0.00 0.00 0.00 175.10 175.46 1ugs s TYR 215 N 0.11 3.25 -0.02 5.22 1.51 -1.26 -0.79 117.35 125.37 1ugs s TYR 215 Ca -0.08 0.07 0.03 0.00 -1.01 0.00 0.00 57.07 56.08 1ugs s TYR 215 Cb -0.15 -2.22 -0.00 0.00 -0.11 0.00 0.00 41.96 39.48 1ugs s TYR 215 CO 0.05 0.00 -0.11 -0.47 -1.11 0.00 0.00 175.55 173.92 1ugs s TYR 216 N 1.01 1.04 -0.03 2.71 5.04 -0.24 -4.93 117.35 121.95 1ugs s TYR 216 Ca 0.06 -0.24 -0.27 0.00 -2.44 0.00 0.00 57.07 54.19 1ugs s TYR 216 Cb -0.14 -0.70 -0.03 0.00 0.35 0.00 0.00 41.96 41.44 1ugs s TYR 216 CO 0.04 -0.07 0.84 -0.51 -1.34 0.00 0.00 175.55 174.51 1ugs s ASP 217 N -0.03 7.19 -0.09 4.32 -0.00 -1.26 -0.61 116.67 126.19 1ugs s ASP 217 Ca 0.00 1.43 0.02 0.00 -0.00 0.00 0.00 52.55 54.01 1ugs s ASP 217 Cb -0.07 -2.49 0.01 0.00 -0.00 0.00 0.00 42.92 40.37 1ugs s ASP 217 CO 0.00 -0.18 -0.15 0.00 -0.00 0.00 0.00 175.17 174.84 1ugs s TRP 219 N 0.76 3.18 0.28 0.00 0.51 -1.26 -0.91 118.94 121.49 1ugs s TRP 219 Ca -0.12 1.58 -0.05 0.00 -2.12 0.00 0.00 56.10 55.40 1ugs s TRP 219 Cb -0.16 -2.94 0.55 0.00 -0.81 0.00 0.00 33.47 30.11 1ugs s TRP 219 CO 0.02 -0.46 1.58 1.49 -0.51 0.00 0.00 176.95 179.07 1ugs h GLU 220 N 1.65 0.02 0.00 4.98 4.81 -1.03 0.69 114.58 125.70 1ugs h GLU 220 Ca -0.49 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.74 1ugs h GLU 220 Cb 1.20 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.57 1ugs h GLU 220 CO 0.60 0.01 -0.01 -1.35 -0.73 0.00 0.00 179.01 177.53 1ugs h PRO 221 N 0.02 0.00 0.00 0.92 0.11 -1.92 -2.53 132.00 128.59 1ugs h PRO 221 Ca 0.50 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.59 1ugs h PRO 221 Cb 0.90 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 1ugs h PRO 221 CO -0.91 0.01 -0.13 1.88 -0.21 0.00 0.00 178.00 178.63 1ugs h TYR 222 N 0.00 0.00 -3.91 0.65 -1.99 -1.21 -3.46 116.97 107.05 1ugs h TYR 222 Ca -0.00 0.00 -0.46 0.00 2.00 0.00 0.00 58.73 60.27 1ugs h TYR 222 Cb 0.09 0.00 -0.21 0.00 2.00 0.00 0.00 36.73 38.61 1ugs h TYR 222 CO 0.00 0.13 -0.79 0.96 -0.00 0.00 0.00 178.16 178.46 1ugs s ILE 223 N -3.79 1.31 0.04 -2.88 -4.36 -0.95 0.08 121.20 110.65 1ugs s ILE 223 Ca -0.00 -1.41 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 1ugs s ILE 223 Cb 0.11 -1.25 -0.02 0.00 1.25 0.00 0.00 42.46 42.54 1ugs s ILE 223 CO 0.59 -0.19 -0.13 -1.61 0.24 0.00 0.00 174.94 173.84 1ugs s GLU 224 N -1.87 0.83 0.39 0.37 0.41 -0.94 -4.95 118.70 112.94 1ugs s GLU 224 Ca 0.01 -0.74 -0.27 0.00 -0.41 0.00 0.00 54.97 53.56 1ugs s GLU 224 Cb -0.10 -0.81 -0.10 0.00 -1.78 0.00 0.00 34.13 31.35 1ugs s GLU 224 CO 0.03 0.19 1.44 -1.17 -0.49 0.00 0.00 175.26 175.26 1ugs s LEU 225 N -1.20 4.28 0.02 1.80 2.96 -1.26 -1.25 118.68 124.03 1ugs s LEU 225 Ca -0.00 2.96 -0.02 0.00 -0.22 0.00 0.00 54.13 56.84 1ugs s LEU 225 Cb -0.08 -3.74 -0.01 0.00 0.50 0.00 0.00 46.19 42.86 1ugs s LEU 225 CO 0.01 -0.90 -0.05 0.52 -1.32 0.00 0.00 176.35 174.61 1ugs n VAL 226 N 0.34 0.90 -3.75 1.68 0.31 0.13 -4.82 118.33 113.13 1ugs n VAL 226 Ca 0.02 0.22 -0.14 0.00 -0.01 0.00 0.00 64.34 64.43 1ugs n VAL 226 Cb 0.40 -1.65 -0.15 0.00 -0.91 0.00 0.00 33.84 31.54 1ugs n VAL 226 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 1ugs s ASP 227 N -5.77 -0.06 0.00 4.52 1.01 -0.68 -4.99 116.67 110.70 1ugs s ASP 227 Ca -0.05 0.27 0.18 0.00 0.71 0.00 0.00 52.55 53.66 1ugs s ASP 227 Cb 0.01 0.16 1.08 0.00 1.01 0.00 0.00 42.92 45.17 1ugs s ASP 227 CO 0.07 -0.15 1.48 1.07 0.21 0.00 0.00 175.17 177.84