#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ub7 n GLY 3 N 0.00 1.53 3.55 5.00 0.00 0.95 0.26 105.19 116.47 1ub7 n GLY 3 Ca 0.00 -1.34 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 1ub7 n GLY 3 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub7 s ILE 4 N -2.43 4.82 -0.18 -0.61 1.01 -1.26 -0.90 121.20 121.65 1ub7 s ILE 4 Ca 0.17 0.39 0.18 0.00 0.00 0.00 0.00 60.65 61.39 1ub7 s ILE 4 Cb -0.03 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.25 1ub7 s ILE 4 CO 0.12 -0.50 1.12 -0.07 0.00 0.00 0.00 174.94 175.62 1ub7 h LEU 5 N 9.64 0.00 -7.11 2.97 3.38 -1.16 -3.42 115.31 119.61 1ub7 h LEU 5 Ca -0.26 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1ub7 h LEU 5 Cb 1.10 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.70 1ub7 h LEU 5 CO 0.88 0.42 0.11 0.00 0.09 0.00 0.00 178.44 179.94 1ub7 s ALA 6 N -3.03 -1.47 -0.02 1.53 0.00 -1.24 -4.95 121.76 112.59 1ub7 s ALA 6 Ca 0.01 0.65 -0.15 0.00 0.00 0.00 0.00 51.96 52.47 1ub7 s ALA 6 Cb 0.08 0.50 0.02 0.00 0.00 0.00 0.00 23.12 23.72 1ub7 s ALA 6 CO 0.78 -0.58 0.31 -1.17 0.00 0.00 0.00 175.76 175.10 1ub7 s LEU 7 N -2.14 0.84 0.10 0.00 2.96 -1.26 -1.30 118.68 117.88 1ub7 s LEU 7 Ca -0.04 0.14 -0.25 0.00 -0.22 0.00 0.00 54.13 53.76 1ub7 s LEU 7 Cb -0.00 1.26 0.08 0.00 0.50 0.00 0.00 46.19 48.03 1ub7 s LEU 7 CO -0.04 -0.42 0.68 -0.83 -1.32 0.00 0.00 176.35 174.43 1ub7 s GLY 8 N -1.20 -0.57 0.25 7.98 0.00 -0.66 -4.42 107.32 108.70 1ub7 s GLY 8 Ca -0.12 0.69 -0.17 0.00 0.00 0.00 0.00 44.72 45.11 1ub7 s GLY 8 CO 0.04 0.25 0.57 0.00 0.00 0.00 0.00 173.10 173.96 1ub7 s ALA 9 N -3.44 -0.73 -0.08 3.20 0.00 -1.25 -0.81 121.76 118.65 1ub7 s ALA 9 Ca 0.01 -0.54 -0.25 0.00 0.00 0.00 0.00 51.96 51.18 1ub7 s ALA 9 Cb -0.01 0.95 0.06 0.00 0.00 0.00 0.00 23.12 24.11 1ub7 s ALA 9 CO -0.11 -0.90 0.58 -0.47 0.00 0.00 0.00 175.76 174.86 1ub7 s TYR 10 N -3.95 -0.55 0.04 0.00 5.04 0.98 -4.73 117.35 114.18 1ub7 s TYR 10 Ca 0.16 1.04 0.04 0.00 -2.44 0.00 0.00 57.07 55.86 1ub7 s TYR 10 Cb -0.03 0.30 -0.02 0.00 0.35 0.00 0.00 41.96 42.56 1ub7 s TYR 10 CO 0.06 -0.50 -0.11 0.14 -1.34 0.00 0.00 175.55 173.80 1ub7 s VAL 11 N -0.91 0.81 0.88 3.14 -7.23 -1.26 -1.31 120.40 114.52 1ub7 s VAL 11 Ca -0.09 -1.02 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 1ub7 s VAL 11 Cb -0.02 -0.79 0.13 0.00 0.56 0.00 0.00 36.38 36.25 1ub7 s VAL 11 CO 0.07 -0.19 1.16 -2.84 -0.31 0.00 0.00 175.10 172.99 1ub7 s PRO 12 N -1.34 1.22 0.10 4.82 0.02 -1.26 -4.94 135.00 133.62 1ub7 s PRO 12 Ca -0.04 1.59 -0.15 0.00 0.02 0.00 0.00 61.00 62.42 1ub7 s PRO 12 Cb -0.09 -1.75 -0.08 0.00 0.02 0.00 0.00 34.50 32.61 1ub7 s PRO 12 CO 0.01 -2.49 1.43 1.49 -0.33 0.00 0.00 177.00 177.10 1ub7 h GLU 13 N -1.61 0.71 -6.33 5.54 4.81 -1.98 -3.42 114.58 112.30 1ub7 h GLU 13 Ca -0.44 -0.37 -0.54 0.00 -0.13 0.00 0.00 59.36 57.88 1ub7 h GLU 13 Cb 1.27 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.66 1ub7 h GLU 13 CO 0.43 0.99 1.00 0.50 -0.73 0.00 0.00 179.01 181.20 1ub7 s ARG 14 N -4.39 4.21 0.16 1.92 3.52 -1.26 -4.93 118.95 118.19 1ub7 s ARG 14 Ca -0.12 2.16 -0.01 0.00 -0.13 0.00 0.00 55.73 57.63 1ub7 s ARG 14 Cb 0.09 -3.79 -0.04 0.00 -1.56 0.00 0.00 34.95 29.65 1ub7 s ARG 14 CO 0.83 -0.75 0.34 0.08 -0.81 0.00 0.00 175.30 174.99 1ub7 s VAL 15 N 3.31 5.25 -0.23 7.11 1.01 -1.26 -0.55 120.40 135.04 1ub7 s VAL 15 Ca 0.71 -0.37 -0.04 0.00 0.00 0.00 0.00 61.98 62.28 1ub7 s VAL 15 Cb -0.34 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.41 1ub7 s VAL 15 CO 0.29 -0.08 0.10 -0.32 0.00 0.00 0.00 175.10 175.09 1ub7 s MET 16 N -3.08 0.23 0.63 2.72 1.75 -0.08 -4.91 119.30 116.56 1ub7 s MET 16 Ca 0.38 -0.36 -0.12 0.00 -1.25 0.00 0.00 55.69 54.34 1ub7 s MET 16 Cb -0.11 -1.64 -0.03 0.00 2.84 0.00 0.00 34.83 35.89 1ub7 s MET 16 CO 0.28 -0.81 1.04 0.95 -0.65 0.00 0.00 175.02 175.82 1ub7 s THR 17 N 2.05 4.48 0.47 10.11 -4.23 -1.26 -2.63 115.64 124.63 1ub7 s THR 17 Ca 0.05 0.85 0.15 0.00 -1.18 0.00 0.00 61.69 61.55 1ub7 s THR 17 Cb -0.16 -3.71 0.31 0.00 1.34 0.00 0.00 72.50 70.28 1ub7 s THR 17 CO -0.20 -1.01 2.05 0.78 -0.54 0.00 0.00 174.62 175.70 1ub7 h ASN 18 N -0.30 0.21 -0.30 3.99 2.35 -1.81 0.15 115.58 119.87 1ub7 h ASN 18 Ca -0.44 -0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.35 1ub7 h ASN 18 Cb 1.20 -0.05 -0.04 0.00 0.05 0.00 0.00 38.32 39.48 1ub7 h ASN 18 CO 0.60 0.14 0.04 0.00 -1.65 0.00 0.00 177.43 176.57 1ub7 h ALA 19 N 1.81 0.30 -0.64 -0.83 0.00 -1.92 0.11 119.26 118.09 1ub7 h ALA 19 Ca 0.16 0.06 0.19 0.00 0.00 0.00 0.00 54.91 55.32 1ub7 h ALA 19 Cb 0.34 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1ub7 h ALA 19 CO -0.03 -0.37 0.54 -0.44 0.00 0.00 0.00 179.25 178.96 1ub7 h ASP 20 N 0.15 0.00 0.64 0.00 3.32 -1.05 0.31 116.42 119.79 1ub7 h ASP 20 Ca 0.14 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.92 1ub7 h ASP 20 Cb 0.16 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 1ub7 h ASP 20 CO -0.20 0.00 -1.48 -0.26 -1.72 0.00 0.00 179.24 175.59 1ub7 h PHE 21 N 0.00 0.03 0.00 4.55 0.04 -0.68 -3.28 116.94 117.61 1ub7 h PHE 21 Ca 0.30 -0.02 -0.00 0.00 2.80 0.00 0.00 57.97 61.05 1ub7 h PHE 21 Cb 1.39 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 39.53 1ub7 h PHE 21 CO 0.00 1.03 -0.00 0.93 -0.60 0.00 0.00 178.31 179.67 1ub7 h GLU 22 N 0.00 0.00 0.00 1.51 5.08 0.14 -1.38 114.58 119.93 1ub7 h GLU 22 Ca -0.20 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1ub7 h GLU 22 Cb 1.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.19 1ub7 h GLU 22 CO 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.11 1ub7 n ALA 23 N -2.09 1.84 -1.44 3.43 0.00 -0.36 -4.13 120.51 117.75 1ub7 n ALA 23 Ca 0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1ub7 n ALA 23 Cb 0.33 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1ub7 n ALA 23 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ub7 n TYR 24 N -1.35 0.00 -4.51 0.00 4.11 -1.14 -5.12 117.16 109.15 1ub7 n TYR 24 Ca 0.06 0.00 -0.22 0.00 -0.00 0.00 0.00 57.90 57.74 1ub7 n TYR 24 Cb 0.15 0.02 -0.14 0.00 -0.00 0.00 0.00 39.34 39.37 1ub7 n TYR 24 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 1ub7 s LEU 25 N 0.00 2.15 -0.71 -3.48 1.43 -0.53 -5.04 118.68 112.49 1ub7 s LEU 25 Ca 0.00 -0.45 -0.27 0.00 -1.03 0.00 0.00 54.13 52.38 1ub7 s LEU 25 Cb 0.00 -0.76 -0.25 0.00 0.03 0.00 0.00 46.19 45.21 1ub7 s LEU 25 CO 0.00 0.10 1.89 -0.67 0.23 0.00 0.00 176.35 177.90 1ub7 n ASP 26 N 1.99 1.64 -3.54 2.29 2.03 -1.26 -4.53 116.55 115.17 1ub7 n ASP 26 Ca -0.17 -2.55 -0.12 0.00 0.52 0.00 0.00 54.79 52.47 1ub7 n ASP 26 Cb 0.54 -1.26 -0.04 0.00 -0.72 0.00 0.00 41.12 39.64 1ub7 n ASP 26 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1ub7 s THR 27 N 11.55 0.00 0.48 5.18 -1.32 -1.26 -5.05 115.64 125.23 1ub7 s THR 27 Ca 0.73 0.00 0.06 0.00 -1.21 0.00 0.00 61.69 61.26 1ub7 s THR 27 Cb 0.05 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.03 1ub7 s THR 27 CO 0.23 0.00 0.26 -0.94 -2.21 0.00 0.00 174.62 171.95 1ub7 s SER 28 N -1.52 4.50 0.17 8.08 1.04 -1.26 -4.32 113.70 120.39 1ub7 s SER 28 Ca -0.02 -1.22 -0.00 0.00 0.48 0.00 0.00 55.95 55.19 1ub7 s SER 28 Cb -0.00 0.05 0.03 0.00 0.10 0.00 0.00 66.02 66.20 1ub7 s SER 28 CO 0.01 -0.83 1.41 -0.78 0.98 0.00 0.00 173.24 174.02 1ub7 h ASP 29 N 1.11 0.39 -0.12 7.02 3.58 -1.99 -3.01 116.42 123.40 1ub7 h ASP 29 Ca -0.40 -0.28 -0.03 0.00 0.42 0.00 0.00 57.03 56.73 1ub7 h ASP 29 Cb 1.28 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 42.21 1ub7 h ASP 29 CO 0.65 1.04 -0.04 -0.08 -2.88 0.00 0.00 179.24 177.93 1ub7 h GLU 30 N 0.20 0.24 -0.67 0.28 4.81 -1.98 0.35 114.58 117.83 1ub7 h GLU 30 Ca -0.04 -0.10 0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1ub7 h GLU 30 Cb 1.39 -0.01 -0.13 0.00 0.63 0.00 0.00 28.75 30.64 1ub7 h GLU 30 CO 0.13 0.56 -0.14 2.35 -0.73 0.00 0.00 179.01 181.17 1ub7 h TRP 31 N -0.08 -0.31 0.37 0.92 -0.00 -1.96 -0.74 115.95 114.15 1ub7 h TRP 31 Ca 0.03 0.06 -0.02 0.00 -0.00 0.00 0.00 58.89 58.96 1ub7 h TRP 31 Cb 0.47 0.24 0.00 0.00 -0.00 0.00 0.00 29.16 29.88 1ub7 h TRP 31 CO 0.06 -0.28 -0.18 0.82 -0.00 0.00 0.00 178.44 178.86 1ub7 h ILE 32 N 0.01 0.52 -0.29 2.65 2.04 -1.37 -1.52 117.51 119.55 1ub7 h ILE 32 Ca 0.33 -0.60 0.08 0.00 1.00 0.00 0.00 64.86 65.66 1ub7 h ILE 32 Cb 0.51 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.34 1ub7 h ILE 32 CO -0.67 0.10 0.22 0.58 0.00 0.00 0.00 178.15 178.37 1ub7 h VAL 33 N -0.90 0.78 0.00 1.67 2.07 0.17 -0.19 116.25 119.85 1ub7 h VAL 33 Ca -0.05 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.29 1ub7 h VAL 33 Cb 0.54 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1ub7 h VAL 33 CO 0.08 0.00 -2.12 0.35 0.02 0.00 0.00 177.57 175.91 1ub7 n THR 34 N -4.33 0.73 0.03 2.57 -2.24 -0.33 -2.62 114.28 108.09 1ub7 n THR 34 Ca 0.04 -0.68 -0.10 0.00 -2.27 0.00 0.00 64.05 61.04 1ub7 n THR 34 Cb 0.38 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.21 1ub7 n THR 34 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1ub7 h ARG 35 N 0.00 0.06 0.00 -0.78 2.43 -0.94 -3.42 114.38 111.74 1ub7 h ARG 35 Ca -0.26 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1ub7 h ARG 35 Cb 1.61 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.20 1ub7 h ARG 35 CO 0.02 0.84 -0.69 0.25 -1.51 0.00 0.00 179.97 178.87 1ub7 n THR 36 N -3.26 0.00 -0.32 0.20 -2.24 -0.12 -4.77 114.28 103.76 1ub7 n THR 36 Ca -0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1ub7 n THR 36 Cb 1.01 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 1ub7 n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ub7 n GLY 37 N 2.12 0.88 3.74 3.38 0.00 -0.97 -1.17 105.19 113.16 1ub7 n GLY 37 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1ub7 n GLY 37 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ub7 s ILE 38 N -2.76 4.72 -0.14 -0.61 1.01 -1.26 -4.25 121.20 117.91 1ub7 s ILE 38 Ca 0.00 1.74 0.01 0.00 0.00 0.00 0.00 60.65 62.40 1ub7 s ILE 38 Cb 0.00 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 38.21 1ub7 s ILE 38 CO 0.00 0.33 -0.13 0.29 0.00 0.00 0.00 174.94 175.43 1ub7 n LYS 39 N 2.97 0.35 -3.92 2.79 5.02 -0.34 -3.88 118.16 121.15 1ub7 n LYS 39 Ca -0.01 0.09 -0.10 0.00 -2.02 0.00 0.00 58.31 56.27 1ub7 n LYS 39 Cb 0.50 -1.27 -0.06 0.00 -0.02 0.00 0.00 35.03 34.18 1ub7 n LYS 39 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 1ub7 s GLU 40 N -2.28 1.20 0.09 1.97 2.02 -0.49 -2.32 118.70 118.89 1ub7 s GLU 40 Ca -0.19 -1.12 -0.15 0.00 0.02 0.00 0.00 54.97 53.53 1ub7 s GLU 40 Cb 0.05 0.40 0.03 0.00 0.10 0.00 0.00 34.13 34.71 1ub7 s GLU 40 CO 0.33 -0.45 0.36 -0.98 0.02 0.00 0.00 175.26 174.53 1ub7 s ARG 41 N -3.95 0.97 0.11 1.61 3.03 -1.08 -2.80 118.95 116.85 1ub7 s ARG 41 Ca 0.16 -0.64 -0.04 0.00 2.03 0.00 0.00 55.73 57.23 1ub7 s ARG 41 Cb 0.02 0.42 -0.05 0.00 -1.03 0.00 0.00 34.95 34.32 1ub7 s ARG 41 CO -0.01 -0.35 0.34 1.03 -1.13 0.00 0.00 175.30 175.18 1ub7 s ARG 42 N -3.36 3.59 -0.06 3.89 1.81 -1.26 -0.90 118.95 122.66 1ub7 s ARG 42 Ca 0.00 -0.14 0.02 0.00 -1.72 0.00 0.00 55.73 53.89 1ub7 s ARG 42 Cb 0.01 -2.91 0.02 0.00 -0.45 0.00 0.00 34.95 31.62 1ub7 s ARG 42 CO -0.09 0.51 -0.10 0.08 -0.68 0.00 0.00 175.30 175.03 1ub7 s VAL 43 N -1.59 0.92 0.43 3.52 1.01 0.29 -1.79 120.40 123.18 1ub7 s VAL 43 Ca 0.39 -0.36 -0.26 0.00 0.00 0.00 0.00 61.98 61.75 1ub7 s VAL 43 Cb -0.12 -0.86 -0.09 0.00 0.00 0.00 0.00 36.38 35.31 1ub7 s VAL 43 CO 0.24 0.31 1.42 0.00 0.00 0.00 0.00 175.10 177.07 1ub7 s ALA 44 N 0.71 3.30 1.02 5.51 0.00 -1.26 -4.00 121.76 127.03 1ub7 s ALA 44 Ca -0.13 1.46 -0.12 0.00 0.00 0.00 0.00 51.96 53.17 1ub7 s ALA 44 Cb -0.15 -3.58 0.17 0.00 0.00 0.00 0.00 23.12 19.56 1ub7 s ALA 44 CO 0.02 -1.13 0.87 0.00 0.00 0.00 0.00 175.76 175.52 1ub7 n ALA 45 N -0.04 -2.08 -0.25 0.00 0.00 -1.26 -4.81 120.51 112.06 1ub7 n ALA 45 Ca 0.04 -0.83 0.05 0.00 0.00 0.00 0.00 53.44 52.71 1ub7 n ALA 45 Cb 0.42 -2.00 0.17 0.00 0.00 0.00 0.00 19.45 18.04 1ub7 n ALA 45 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1ub7 h GLU 46 N -2.10 0.20 -0.79 0.00 4.81 -2.05 -1.15 114.58 113.50 1ub7 h GLU 46 Ca -0.50 -0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.21 1ub7 h GLU 46 Cb 1.30 -0.05 -0.29 0.00 0.63 0.00 0.00 28.75 30.35 1ub7 h GLU 46 CO 0.42 0.13 0.20 -0.40 -0.73 0.00 0.00 179.01 178.63 1ub7 n ASP 47 N -5.22 5.30 -4.16 1.04 5.75 -1.26 -4.91 116.55 113.10 1ub7 n ASP 47 Ca 0.14 -3.76 -0.34 0.00 -0.01 0.00 0.00 54.79 50.82 1ub7 n ASP 47 Cb 0.47 -0.72 -0.14 0.00 -1.03 0.00 0.00 41.12 39.69 1ub7 n ASP 47 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1ub7 s GLU 48 N -3.57 2.61 0.56 0.11 2.12 -0.44 -5.07 118.70 115.02 1ub7 s GLU 48 Ca 0.56 -1.12 0.05 0.00 0.36 0.00 0.00 54.97 54.82 1ub7 s GLU 48 Cb 0.46 -2.98 0.05 0.00 0.26 0.00 0.00 34.13 31.92 1ub7 s GLU 48 CO 0.02 -0.48 0.42 0.71 -0.54 0.00 0.00 175.26 175.39 1ub7 s TYR 49 N 1.25 1.46 0.30 5.30 1.51 -1.26 -4.50 117.35 121.42 1ub7 s TYR 49 Ca -0.03 -0.89 0.06 0.00 -1.01 0.00 0.00 57.07 55.20 1ub7 s TYR 49 Cb -0.18 -1.89 0.78 0.00 -0.11 0.00 0.00 41.96 40.56 1ub7 s TYR 49 CO -0.04 -0.56 1.71 1.15 -1.11 0.00 0.00 175.55 176.70 1ub7 h THR 50 N 0.68 0.50 -0.58 -0.71 2.02 -1.92 0.28 112.91 113.18 1ub7 h THR 50 Ca -0.36 -0.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.62 1ub7 h THR 50 Cb 1.31 -0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.68 1ub7 h THR 50 CO 0.56 0.08 0.18 0.77 0.37 0.00 0.00 175.52 177.48 1ub7 h SER 51 N 0.46 0.80 -0.42 4.18 4.64 -1.94 0.24 113.55 121.51 1ub7 h SER 51 Ca 0.59 -0.13 -0.08 0.00 -0.47 0.00 0.00 61.79 61.70 1ub7 h SER 51 Cb 1.12 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 62.99 1ub7 h SER 51 CO -0.51 0.76 -0.07 0.44 -0.87 0.00 0.00 176.83 176.58 1ub7 h ASP 52 N 0.84 0.78 -0.76 4.97 3.32 -0.88 0.39 116.42 125.09 1ub7 h ASP 52 Ca 0.19 -0.35 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1ub7 h ASP 52 Cb 0.25 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.55 1ub7 h ASP 52 CO -0.01 0.95 0.38 -0.07 -1.72 0.00 0.00 179.24 178.77 1ub7 h LEU 53 N 0.61 0.98 -0.38 1.55 3.38 -0.79 0.59 115.31 121.25 1ub7 h LEU 53 Ca 0.11 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1ub7 h LEU 53 Cb 0.58 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1ub7 h LEU 53 CO 0.03 0.82 0.02 0.00 0.09 0.00 0.00 178.44 179.41 1ub7 h ALA 54 N 1.33 0.51 -0.03 1.53 0.00 -0.31 -0.96 119.26 121.33 1ub7 h ALA 54 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1ub7 h ALA 54 Cb 0.09 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1ub7 h ALA 54 CO -0.04 0.26 0.02 0.74 0.00 0.00 0.00 179.25 180.24 1ub7 h PHE 55 N 0.49 0.04 -0.51 0.00 0.04 0.33 -1.92 116.94 115.40 1ub7 h PHE 55 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1ub7 h PHE 55 Cb 0.44 -0.01 -0.03 0.00 2.20 0.00 0.00 35.95 38.55 1ub7 h PHE 55 CO 0.03 0.03 0.33 0.87 -0.60 0.00 0.00 178.31 178.97 1ub7 h LYS 56 N 0.04 0.68 -0.39 1.51 1.57 -0.78 -0.50 116.57 118.69 1ub7 h LYS 56 Ca 0.01 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 1ub7 h LYS 56 Cb 0.00 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.15 1ub7 h LYS 56 CO -0.00 0.46 -0.31 0.00 -0.57 0.00 0.00 179.45 179.03 1ub7 h ALA 57 N 1.66 0.71 -0.22 3.86 0.00 -0.85 -2.18 119.26 122.25 1ub7 h ALA 57 Ca 0.19 -0.42 -0.14 0.00 0.00 0.00 0.00 54.91 54.54 1ub7 h ALA 57 Cb -0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1ub7 h ALA 57 CO -0.04 0.66 -0.46 0.28 0.00 0.00 0.00 179.25 179.70 1ub7 h VAL 58 N 0.73 1.31 -0.95 0.00 2.07 -0.61 -2.00 116.25 116.79 1ub7 h VAL 58 Ca 0.08 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 65.95 1ub7 h VAL 58 Cb 0.87 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.23 1ub7 h VAL 58 CO 0.08 0.52 0.62 -0.33 0.02 0.00 0.00 177.57 178.47 1ub7 h GLU 59 N 0.45 1.26 -0.61 1.57 5.08 -0.94 0.98 114.58 122.38 1ub7 h GLU 59 Ca 0.03 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1ub7 h GLU 59 Cb 0.97 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1ub7 h GLU 59 CO 0.09 0.85 0.21 0.22 -1.00 0.00 0.00 179.01 179.38 1ub7 h ASP 60 N 1.30 0.86 -0.69 1.42 3.58 -1.16 0.13 116.42 121.87 1ub7 h ASP 60 Ca 0.35 -0.19 0.06 0.00 0.42 0.00 0.00 57.03 57.66 1ub7 h ASP 60 Cb -0.13 -0.23 -0.06 0.00 1.72 0.00 0.00 39.33 40.64 1ub7 h ASP 60 CO -0.07 0.82 0.39 0.25 -2.88 0.00 0.00 179.24 177.75 1ub7 h LEU 61 N 0.86 0.58 -0.88 2.28 6.46 -0.53 -1.32 115.31 122.75 1ub7 h LEU 61 Ca 0.20 0.03 -0.11 0.00 -0.12 0.00 0.00 57.88 57.87 1ub7 h LEU 61 Cb 0.25 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.08 1ub7 h LEU 61 CO -0.01 0.37 -0.40 -0.07 -0.62 0.00 0.00 178.44 177.71 1ub7 h LEU 62 N 0.71 0.33 -0.39 2.25 3.38 -0.13 0.27 115.31 121.74 1ub7 h LEU 62 Ca 0.31 -0.14 -0.07 0.00 0.09 0.00 0.00 57.88 58.07 1ub7 h LEU 62 Cb 0.18 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1ub7 h LEU 62 CO -0.18 0.71 -0.02 0.03 0.09 0.00 0.00 178.44 179.06 1ub7 h ARG 63 N 0.26 0.70 0.00 1.13 2.47 0.01 -2.76 114.38 116.20 1ub7 h ARG 63 Ca 0.02 -0.24 -0.17 0.00 -1.26 0.00 0.00 59.98 58.34 1ub7 h ARG 63 Cb 0.83 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.07 1ub7 h ARG 63 CO 0.07 0.81 -0.81 0.00 0.56 0.00 0.00 179.97 180.60 1ub7 h ARG 64 N 0.52 0.00 -2.44 0.04 3.08 -1.15 -3.39 114.38 111.04 1ub7 h ARG 64 Ca 0.11 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.56 1ub7 h ARG 64 Cb 0.51 0.00 -0.39 0.00 0.08 0.00 0.00 29.97 30.17 1ub7 h ARG 64 CO 0.02 0.81 -0.91 0.72 -1.07 0.00 0.00 179.97 179.54 1ub7 n HIS 65 N -3.55 0.12 -1.65 3.04 8.25 0.94 -5.08 115.22 117.30 1ub7 n HIS 65 Ca -0.00 -3.57 -0.45 0.00 -0.26 0.00 0.00 57.72 53.44 1ub7 n HIS 65 Cb 0.78 -0.02 -0.03 0.00 1.12 0.00 0.00 29.99 31.84 1ub7 n HIS 65 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 1ub7 n PRO 66 N 2.38 1.80 -1.07 -0.41 -0.02 -1.05 -2.15 135.00 134.49 1ub7 n PRO 66 Ca 0.27 0.64 -0.02 0.00 -2.02 0.00 0.00 63.50 62.36 1ub7 n PRO 66 Cb 0.46 -2.24 -0.01 0.00 -0.02 0.00 0.00 33.50 31.69 1ub7 n PRO 66 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ub7 n GLY 67 N 1.96 0.50 0.24 -1.23 0.00 -1.26 -4.92 105.19 100.48 1ub7 n GLY 67 Ca 0.12 -0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.06 1ub7 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub7 h ALA 68 N 0.00 1.32 -0.00 4.61 0.00 -1.79 -2.68 119.26 120.71 1ub7 h ALA 68 Ca -0.05 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ub7 h ALA 68 Cb 0.46 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1ub7 h ALA 68 CO 0.07 0.23 -0.00 1.28 0.00 0.00 0.00 179.25 180.83 1ub7 n LEU 69 N -3.77 0.03 -4.69 0.00 4.77 -1.26 -4.77 117.00 107.31 1ub7 n LEU 69 Ca -0.02 -0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.54 1ub7 n LEU 69 Cb 0.29 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.35 1ub7 n LEU 69 CO 0.33 0.00 1.19 -0.70 -1.33 0.00 0.00 177.39 176.88 1ub7 s GLU 70 N -2.01 4.26 0.00 3.23 2.12 -1.01 -1.96 118.70 123.32 1ub7 s GLU 70 Ca 0.47 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.90 1ub7 s GLU 70 Cb 0.22 -3.55 0.00 0.00 0.26 0.00 0.00 34.13 31.06 1ub7 s GLU 70 CO 0.37 -0.62 0.00 0.41 -0.54 0.00 0.00 175.26 174.88 1ub7 n GLY 71 N 3.75 0.76 3.64 -1.50 0.00 -1.26 -5.00 105.19 105.57 1ub7 n GLY 71 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1ub7 n GLY 71 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ub7 s VAL 72 N -2.90 4.37 -1.98 1.61 1.01 -0.83 -3.09 120.40 118.59 1ub7 s VAL 72 Ca 0.00 1.58 0.17 0.00 0.00 0.00 0.00 61.98 63.73 1ub7 s VAL 72 Cb 0.00 -4.27 0.22 0.00 0.00 0.00 0.00 36.38 32.33 1ub7 s VAL 72 CO 0.00 -0.42 1.14 0.47 0.00 0.00 0.00 175.10 176.29 1ub7 n ASP 73 N 7.05 2.70 -3.69 3.32 8.00 -0.68 -4.54 116.55 128.71 1ub7 n ASP 73 Ca 0.13 -1.79 -0.13 0.00 0.71 0.00 0.00 54.79 53.71 1ub7 n ASP 73 Cb 0.47 -0.09 -0.09 0.00 -0.02 0.00 0.00 41.12 41.39 1ub7 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ub7 s ALA 74 N -1.33 -1.33 -0.15 2.24 0.00 -1.22 -1.52 121.76 118.45 1ub7 s ALA 74 Ca 0.24 1.53 0.01 0.00 0.00 0.00 0.00 51.96 53.75 1ub7 s ALA 74 Cb 0.16 -0.89 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1ub7 s ALA 74 CO 0.22 -0.26 -0.18 0.08 0.00 0.00 0.00 175.76 175.62 1ub7 s VAL 75 N 0.33 1.84 -0.17 0.00 1.01 -0.32 0.29 120.40 123.38 1ub7 s VAL 75 Ca -0.00 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1ub7 s VAL 75 Cb -0.04 -1.67 0.01 0.00 0.00 0.00 0.00 36.38 34.69 1ub7 s VAL 75 CO 0.00 0.51 -0.19 -0.63 0.00 0.00 0.00 175.10 174.78 1ub7 s ILE 76 N 1.12 2.19 -0.34 2.22 1.01 -0.35 -1.88 121.20 125.18 1ub7 s ILE 76 Ca -0.01 -0.91 -0.08 0.00 0.00 0.00 0.00 60.65 59.64 1ub7 s ILE 76 Cb -0.14 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.45 1ub7 s ILE 76 CO -0.07 0.53 0.14 -0.69 0.00 0.00 0.00 174.94 174.86 1ub7 s VAL 77 N 1.09 4.16 -0.35 2.92 1.01 -0.73 -0.51 120.40 127.99 1ub7 s VAL 77 Ca -0.00 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 60.83 1ub7 s VAL 77 Cb -0.14 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.96 1ub7 s VAL 77 CO -0.07 -0.13 0.82 0.00 0.00 0.00 0.00 175.10 175.72 1ub7 s ALA 78 N 1.49 3.45 0.22 5.51 0.00 0.33 -0.93 121.76 131.83 1ub7 s ALA 78 Ca 0.01 -0.53 -0.17 0.00 0.00 0.00 0.00 51.96 51.27 1ub7 s ALA 78 Cb -0.19 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1ub7 s ALA 78 CO 0.04 -1.43 0.54 -0.08 0.00 0.00 0.00 175.76 174.83 1ub7 s THR 79 N 3.15 0.02 0.00 0.00 -1.32 -1.03 -1.79 115.64 114.67 1ub7 s THR 79 Ca 0.33 -0.97 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 1ub7 s THR 79 Cb -0.13 -1.80 0.00 0.00 -1.51 0.00 0.00 72.50 69.06 1ub7 s THR 79 CO 0.16 -0.08 0.45 0.59 -2.21 0.00 0.00 174.62 173.54 1ub7 n ASN 80 N -0.37 0.57 -2.87 8.08 3.02 -1.26 -4.21 115.26 118.22 1ub7 n ASN 80 Ca -0.07 -1.20 -0.17 0.00 -0.03 0.00 0.00 54.58 53.11 1ub7 n ASN 80 Cb 0.62 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.78 1ub7 n ASN 80 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1ub7 n THR 81 N -0.10 0.98 -1.90 3.41 -2.24 -1.26 -5.07 114.28 108.10 1ub7 n THR 81 Ca 0.00 -4.18 -0.36 0.00 -2.27 0.00 0.00 64.05 57.24 1ub7 n THR 81 Cb 0.29 -0.18 0.05 0.00 -2.10 0.00 0.00 70.33 68.39 1ub7 n THR 81 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 1ub7 s PRO 82 N -2.95 2.80 0.22 -0.78 0.04 -1.26 -4.59 135.00 128.47 1ub7 s PRO 82 Ca 0.37 1.85 -0.09 0.00 0.04 0.00 0.00 61.00 63.17 1ub7 s PRO 82 Cb 0.39 -1.90 0.32 0.00 0.04 0.00 0.00 34.50 33.34 1ub7 s PRO 82 CO -0.06 -1.34 1.73 -0.44 0.04 0.00 0.00 177.00 176.93 1ub7 h ASP 83 N 0.67 0.15 -5.42 6.66 5.19 -1.96 -3.44 116.42 118.26 1ub7 h ASP 83 Ca -0.50 0.10 -0.18 0.00 -0.62 0.00 0.00 57.03 55.82 1ub7 h ASP 83 Cb 1.30 0.10 -0.15 0.00 0.18 0.00 0.00 39.33 40.76 1ub7 h ASP 83 CO 0.54 0.08 -0.63 0.00 -3.12 0.00 0.00 179.24 176.11 1ub7 s ALA 84 N -6.09 0.83 0.29 3.45 0.00 -1.26 -5.01 121.76 113.97 1ub7 s ALA 84 Ca -0.13 -1.45 0.02 0.00 0.00 0.00 0.00 51.96 50.41 1ub7 s ALA 84 Cb 0.18 0.89 0.46 0.00 0.00 0.00 0.00 23.12 24.65 1ub7 s ALA 84 CO 0.75 -0.50 1.78 -0.07 0.00 0.00 0.00 175.76 177.71 1ub7 h LEU 85 N 2.84 0.53 -7.00 0.00 3.38 -2.02 -3.44 115.31 109.61 1ub7 h LEU 85 Ca -0.35 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 57.48 1ub7 h LEU 85 Cb 1.20 -0.14 -0.22 0.00 0.09 0.00 0.00 40.66 41.58 1ub7 h LEU 85 CO 0.58 0.69 0.31 0.72 0.09 0.00 0.00 178.44 180.83 1ub7 s PHE 86 N -4.73 -0.60 0.83 1.13 -0.71 -1.26 -4.54 117.98 108.10 1ub7 s PHE 86 Ca -0.08 1.32 -0.10 0.00 -1.04 0.00 0.00 56.93 57.03 1ub7 s PHE 86 Cb 0.14 0.36 0.09 0.00 -1.21 0.00 0.00 43.02 42.40 1ub7 s PHE 86 CO 0.79 -0.38 1.11 -1.25 -1.34 0.00 0.00 175.22 174.16 1ub7 s PRO 87 N -0.23 1.74 0.63 1.99 0.04 -1.26 -5.12 135.00 132.77 1ub7 s PRO 87 Ca -0.02 1.33 -0.13 0.00 0.04 0.00 0.00 61.00 62.22 1ub7 s PRO 87 Cb -0.03 -1.83 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 1ub7 s PRO 87 CO 0.01 -2.06 1.04 0.16 0.04 0.00 0.00 177.00 176.19 1ub7 s ASP 88 N -3.09 5.86 0.40 6.66 -4.77 -1.26 -4.35 116.67 116.11 1ub7 s ASP 88 Ca 0.63 1.62 0.16 0.00 -3.30 0.00 0.00 52.55 51.66 1ub7 s ASP 88 Cb -0.19 -2.50 0.86 0.00 -1.09 0.00 0.00 42.92 40.00 1ub7 s ASP 88 CO 0.57 -1.12 1.88 0.74 0.70 0.00 0.00 175.17 177.94 1ub7 h THR 89 N -0.09 1.11 -0.50 2.11 2.02 -1.93 -2.57 112.91 113.07 1ub7 h THR 89 Ca -0.45 -1.09 -0.07 0.00 0.77 0.00 0.00 66.41 65.57 1ub7 h THR 89 Cb 1.20 1.61 -0.02 0.00 -1.74 0.00 0.00 68.15 69.20 1ub7 h THR 89 CO 0.59 0.30 0.02 0.00 0.37 0.00 0.00 175.52 176.80 1ub7 h ALA 90 N 1.69 1.10 -0.50 6.16 0.00 -1.89 -1.58 119.26 124.24 1ub7 h ALA 90 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1ub7 h ALA 90 Cb 0.58 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1ub7 h ALA 90 CO 0.04 0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.94 1ub7 h ALA 91 N 1.25 1.19 -0.48 0.00 0.00 -1.73 0.15 119.26 119.64 1ub7 h ALA 91 Ca 0.15 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1ub7 h ALA 91 Cb 0.44 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1ub7 h ALA 91 CO 0.02 0.54 -0.07 -0.07 0.00 0.00 0.00 179.25 179.67 1ub7 h LEU 92 N 0.75 0.84 -0.38 0.00 3.38 -1.29 -1.66 115.31 116.95 1ub7 h LEU 92 Ca 0.16 -0.24 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 1ub7 h LEU 92 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1ub7 h LEU 92 CO 0.01 0.94 -0.22 0.58 0.09 0.00 0.00 178.44 179.84 1ub7 h VAL 93 N 0.78 1.28 -0.62 1.22 2.07 -0.78 -1.41 116.25 118.79 1ub7 h VAL 93 Ca 0.14 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.32 1ub7 h VAL 93 Cb 0.57 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.63 1ub7 h VAL 93 CO 0.03 0.45 0.37 -0.61 0.02 0.00 0.00 177.57 177.84 1ub7 h GLN 94 N 0.62 0.70 0.52 1.57 -0.00 -0.73 -2.41 115.11 115.37 1ub7 h GLN 94 Ca 0.08 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.65 58.66 1ub7 h GLN 94 Cb 0.78 -0.16 0.01 0.00 0.00 0.00 0.00 27.48 28.11 1ub7 h GLN 94 CO 0.06 0.46 -0.25 0.00 0.00 0.00 0.00 178.83 179.11 1ub7 h ALA 95 N 1.29 -0.69 -0.88 3.38 0.00 -1.18 -1.15 119.26 120.03 1ub7 h ALA 95 Ca 0.26 -0.19 0.23 0.00 0.00 0.00 0.00 54.91 55.22 1ub7 h ALA 95 Cb 0.06 0.27 -0.14 0.00 0.00 0.00 0.00 17.79 17.98 1ub7 h ALA 95 CO -0.12 -0.80 0.25 -0.09 0.00 0.00 0.00 179.25 178.49 1ub7 h ARG 96 N -0.87 0.21 -0.65 0.00 9.65 -1.12 0.44 114.38 122.04 1ub7 h ARG 96 Ca -0.07 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1ub7 h ARG 96 Cb 0.60 -0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 1ub7 h ARG 96 CO 0.12 0.14 0.00 1.19 2.80 0.00 0.00 179.97 184.22 1ub7 n PHE 97 N -5.21 1.39 -4.06 2.20 3.72 -0.92 -4.96 117.46 109.61 1ub7 n PHE 97 Ca 0.22 -0.55 -0.28 0.00 -0.05 0.00 0.00 57.45 56.79 1ub7 n PHE 97 Cb 0.69 -0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 38.95 1ub7 n PHE 97 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ub7 n GLY 98 N 1.07 -0.22 3.89 1.37 0.00 0.15 -4.96 105.19 106.50 1ub7 n GLY 98 Ca 0.24 0.15 -0.31 0.00 0.00 0.00 0.00 46.02 46.10 1ub7 n GLY 98 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub7 s LEU 99 N -7.09 4.17 -0.80 0.99 1.43 -0.50 -5.02 118.68 111.86 1ub7 s LEU 99 Ca 0.06 0.76 -0.17 0.00 -1.03 0.00 0.00 54.13 53.76 1ub7 s LEU 99 Cb -0.04 -3.52 0.16 0.00 0.03 0.00 0.00 46.19 42.82 1ub7 s LEU 99 CO 0.92 -0.06 0.87 -0.75 0.23 0.00 0.00 176.35 177.55 1ub7 s LYS 100 N -2.95 3.46 0.04 1.70 2.20 -1.26 -4.83 119.74 118.10 1ub7 s LYS 100 Ca 0.44 -1.95 -0.26 0.00 -0.36 0.00 0.00 55.97 53.84 1ub7 s LYS 100 Cb -0.11 -4.56 0.06 0.00 -1.51 0.00 0.00 37.83 31.71 1ub7 s LYS 100 CO 0.24 -1.51 0.60 0.00 -0.36 0.00 0.00 175.35 174.32 1ub7 s ALA 101 N 1.61 -1.57 0.47 3.13 0.00 -1.26 -4.50 121.76 119.65 1ub7 s ALA 101 Ca 0.21 0.85 -0.09 0.00 0.00 0.00 0.00 51.96 52.93 1ub7 s ALA 101 Cb -0.12 0.36 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 1ub7 s ALA 101 CO -0.05 -0.52 0.83 -0.59 0.00 0.00 0.00 175.76 175.43 1ub7 s PHE 102 N -2.29 3.52 -0.08 0.00 -0.71 -0.58 -4.88 117.98 112.97 1ub7 s PHE 102 Ca -0.06 1.04 -0.13 0.00 -1.04 0.00 0.00 56.93 56.74 1ub7 s PHE 102 Cb -0.01 -2.47 0.03 0.00 -1.21 0.00 0.00 43.02 39.37 1ub7 s PHE 102 CO -0.00 -0.27 0.33 0.00 -1.34 0.00 0.00 175.22 173.94 1ub7 s ALA 103 N -2.63 -0.83 0.09 1.99 0.00 -1.26 -1.18 121.76 117.94 1ub7 s ALA 103 Ca 0.51 0.69 -0.25 0.00 0.00 0.00 0.00 51.96 52.91 1ub7 s ALA 103 Cb -0.10 -0.28 0.07 0.00 0.00 0.00 0.00 23.12 22.80 1ub7 s ALA 103 CO 0.39 -0.21 0.64 1.52 0.00 0.00 0.00 175.76 178.10 1ub7 s TYR 104 N -0.49 -0.56 0.01 0.00 -0.85 -0.79 -4.66 117.35 110.01 1ub7 s TYR 104 Ca -0.06 0.55 -0.10 0.00 -0.52 0.00 0.00 57.07 56.94 1ub7 s TYR 104 Cb -0.04 0.52 -0.05 0.00 0.38 0.00 0.00 41.96 42.77 1ub7 s TYR 104 CO 0.02 -0.77 0.32 -0.51 -1.52 0.00 0.00 175.55 173.10 1ub7 s ASP 105 N -2.29 6.61 -0.21 -0.18 1.01 -1.26 -1.77 116.67 118.57 1ub7 s ASP 105 Ca -0.02 0.73 -0.02 0.00 0.71 0.00 0.00 52.55 53.94 1ub7 s ASP 105 Cb -0.01 -2.16 0.01 0.00 1.01 0.00 0.00 42.92 41.77 1ub7 s ASP 105 CO -0.06 0.28 -0.09 -0.22 0.21 0.00 0.00 175.17 175.28 1ub7 s LEU 106 N -1.49 2.71 -0.31 1.23 0.20 -0.11 -4.91 118.68 116.00 1ub7 s LEU 106 Ca 0.26 -0.56 -0.07 0.00 0.69 0.00 0.00 54.13 54.45 1ub7 s LEU 106 Cb -0.14 -1.64 0.02 0.00 -0.43 0.00 0.00 46.19 43.99 1ub7 s LEU 106 CO 0.14 -0.03 0.10 -0.76 -0.29 0.00 0.00 176.35 175.51 1ub7 s LEU 107 N 1.39 4.05 -0.00 -0.68 1.02 -1.26 -2.47 118.68 120.72 1ub7 s LEU 107 Ca 0.05 -0.81 0.10 0.00 0.02 0.00 0.00 54.13 53.49 1ub7 s LEU 107 Cb -0.14 -1.90 0.17 0.00 0.02 0.00 0.00 46.19 44.34 1ub7 s LEU 107 CO -0.07 -0.24 1.07 0.00 0.02 0.00 0.00 176.35 177.14 1ub7 n ALA 108 N 4.88 3.21 -0.43 4.21 0.00 -1.26 -5.06 120.51 126.05 1ub7 n ALA 108 Ca -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 53.44 51.95 1ub7 n ALA 108 Cb 0.47 -0.50 0.00 0.00 0.00 0.00 0.00 19.45 19.43 1ub7 n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 109 N 0.19 1.42 0.13 0.00 0.00 -1.26 -3.85 105.19 101.81 1ub7 n GLY 109 Ca -0.14 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1ub7 n GLY 109 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1ub7 n PRO 111 N 0.00 -0.02 -0.33 1.61 -0.02 -1.26 -4.67 135.00 130.31 1ub7 n PRO 111 Ca 0.00 0.00 0.23 0.00 -2.02 0.00 0.00 63.50 61.71 1ub7 n PRO 111 Cb 0.00 -0.08 0.50 0.00 -0.02 0.00 0.00 33.50 33.90 1ub7 n PRO 111 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1ub7 h GLY 112 N 0.00 1.31 0.99 -1.23 0.00 -1.93 -1.71 103.07 100.50 1ub7 h GLY 112 Ca 0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 47.33 47.00 1ub7 h GLY 112 CO 0.00 -0.16 -0.22 -0.25 0.00 0.00 0.00 176.54 175.91 1ub7 h TRP 113 N 0.41 0.88 -0.38 5.60 7.01 -1.83 0.17 115.95 127.80 1ub7 h TRP 113 Ca 0.61 -0.24 -0.11 0.00 2.11 0.00 0.00 58.89 61.26 1ub7 h TRP 113 Cb 1.51 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 1ub7 h TRP 113 CO -0.00 0.98 -0.23 0.82 -2.79 0.00 0.00 178.44 177.22 1ub7 h ILE 114 N 0.52 1.27 -0.43 2.65 2.04 -1.78 -0.08 117.51 121.70 1ub7 h ILE 114 Ca 0.07 -1.34 0.02 0.00 1.00 0.00 0.00 64.86 64.61 1ub7 h ILE 114 Cb 0.78 1.22 -0.03 0.00 -0.74 0.00 0.00 36.82 38.05 1ub7 h ILE 114 CO 0.06 0.44 0.25 1.88 0.00 0.00 0.00 178.15 180.78 1ub7 h TYR 115 N 0.66 0.47 -0.37 1.37 -1.99 -1.12 -1.09 116.97 114.90 1ub7 h TYR 115 Ca 0.09 0.01 -0.04 0.00 2.00 0.00 0.00 58.73 60.80 1ub7 h TYR 115 Cb 0.73 -0.15 -0.02 0.00 2.00 0.00 0.00 36.73 39.30 1ub7 h TYR 115 CO 0.04 0.27 0.08 0.00 -0.00 0.00 0.00 178.16 178.54 1ub7 h ALA 116 N 1.19 1.45 -0.47 3.88 0.00 -0.05 -0.16 119.26 125.10 1ub7 h ALA 116 Ca 0.17 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 1ub7 h ALA 116 Cb 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ub7 h ALA 116 CO -0.08 0.40 -0.07 -0.07 0.00 0.00 0.00 179.25 179.43 1ub7 h LEU 117 N 0.53 0.87 -0.29 0.00 3.38 -0.40 0.25 115.31 119.64 1ub7 h LEU 117 Ca 0.12 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.72 1ub7 h LEU 117 Cb 0.23 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1ub7 h LEU 117 CO -0.00 1.01 0.07 0.00 0.09 0.00 0.00 178.44 179.61 1ub7 h ALA 118 N 0.89 0.39 -0.70 1.53 0.00 -0.71 0.12 119.26 120.77 1ub7 h ALA 118 Ca 0.12 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ub7 h ALA 118 Cb 0.61 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ub7 h ALA 118 CO 0.04 0.05 0.32 1.96 0.00 0.00 0.00 179.25 181.61 1ub7 h GLN 119 N 0.31 1.00 -0.38 0.00 1.08 -0.84 -0.97 115.11 115.31 1ub7 h GLN 119 Ca 0.09 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 1ub7 h GLN 119 Cb 0.29 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.52 1ub7 h GLN 119 CO 0.00 0.79 0.08 0.00 -0.95 0.00 0.00 178.83 178.76 1ub7 h ALA 120 N 1.35 0.50 -0.15 3.87 0.00 -0.15 -1.25 119.26 123.44 1ub7 h ALA 120 Ca 0.24 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1ub7 h ALA 120 Cb 0.13 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 1ub7 h ALA 120 CO -0.03 0.19 -0.15 1.25 0.00 0.00 0.00 179.25 180.51 1ub7 h HIS 121 N 0.47 -0.37 -0.45 0.00 -0.00 -0.26 -0.63 115.15 113.90 1ub7 h HIS 121 Ca 0.12 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.55 1ub7 h HIS 121 Cb 0.32 0.19 -0.04 0.00 -0.00 0.00 0.00 27.41 27.88 1ub7 h HIS 121 CO 0.02 -0.22 0.22 0.00 -0.00 0.00 0.00 177.93 177.96 1ub7 h ALA 122 N 0.90 0.57 -0.28 5.26 0.00 -0.98 0.98 119.26 125.71 1ub7 h ALA 122 Ca 0.10 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.06 1ub7 h ALA 122 Cb 0.32 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 1ub7 h ALA 122 CO -0.25 -0.13 0.07 -0.07 0.00 0.00 0.00 179.25 178.87 1ub7 h LEU 123 N 0.45 0.05 -0.24 0.00 3.38 -0.78 0.27 115.31 118.43 1ub7 h LEU 123 Ca 0.20 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 1ub7 h LEU 123 Cb 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1ub7 h LEU 123 CO -0.14 0.06 0.06 0.58 0.09 0.00 0.00 178.44 179.09 1ub7 h VAL 124 N 0.18 1.21 -0.30 1.22 2.07 -0.68 0.16 116.25 120.12 1ub7 h VAL 124 Ca 0.13 -0.70 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 1ub7 h VAL 124 Cb 0.12 1.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.08 1ub7 h VAL 124 CO -0.16 0.22 -0.10 -0.33 0.02 0.00 0.00 177.57 177.22 1ub7 h GLU 125 N 0.22 0.50 -0.01 1.57 4.39 -0.61 -1.90 114.58 118.74 1ub7 h GLU 125 Ca 0.08 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.64 1ub7 h GLU 125 Cb 0.28 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1ub7 h GLU 125 CO 0.00 0.61 -0.04 0.00 -1.16 0.00 0.00 179.01 178.42 1ub7 n ALA 126 N -2.48 2.68 -1.12 3.43 0.00 0.93 -4.91 120.51 119.03 1ub7 n ALA 126 Ca 0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 53.44 53.08 1ub7 n ALA 126 Cb 0.31 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.43 1ub7 n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 127 N 1.15 0.71 0.17 0.00 0.00 -0.71 -4.90 105.19 101.61 1ub7 n GLY 127 Ca 0.19 -0.60 0.12 0.00 0.00 0.00 0.00 46.02 45.74 1ub7 n GLY 127 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ub7 h LEU 128 N 0.00 0.00 -7.59 0.99 3.38 -0.94 -3.45 115.31 107.70 1ub7 h LEU 128 Ca -0.09 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1ub7 h LEU 128 Cb 0.35 0.00 -0.24 0.00 0.09 0.00 0.00 40.66 40.86 1ub7 h LEU 128 CO 0.13 0.01 -0.47 0.00 0.09 0.00 0.00 178.44 178.20 1ub7 s ALA 129 N -3.23 -0.47 -0.06 1.53 0.00 -1.03 -5.00 121.76 113.50 1ub7 s ALA 129 Ca 0.06 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.12 1ub7 s ALA 129 Cb 0.07 -0.17 -0.26 0.00 0.00 0.00 0.00 23.12 22.77 1ub7 s ALA 129 CO 0.69 -0.14 0.96 0.37 0.00 0.00 0.00 175.76 177.64 1ub7 h GLN 130 N 5.19 0.21 -3.99 0.00 4.15 -1.88 -3.31 115.11 115.48 1ub7 h GLN 130 Ca -0.27 -0.27 -0.15 0.00 0.77 0.00 0.00 58.65 58.73 1ub7 h GLN 130 Cb 1.19 0.09 -0.19 0.00 0.21 0.00 0.00 27.48 28.78 1ub7 h GLN 130 CO 0.39 1.04 -0.65 0.15 -1.93 0.00 0.00 178.83 177.83 1ub7 s LYS 131 N -2.82 0.45 -0.03 1.69 1.02 -1.18 -4.31 119.74 114.56 1ub7 s LYS 131 Ca -0.15 -0.79 0.02 0.00 0.02 0.00 0.00 55.97 55.07 1ub7 s LYS 131 Cb 0.01 0.16 0.01 0.00 -0.52 0.00 0.00 37.83 37.49 1ub7 s LYS 131 CO 0.77 -0.09 -0.09 0.08 -0.92 0.00 0.00 175.35 175.10 1ub7 s VAL 132 N -2.34 0.80 -0.44 3.17 1.01 0.17 -1.68 120.40 121.08 1ub7 s VAL 132 Ca -0.08 -0.35 -0.20 0.00 0.00 0.00 0.00 61.98 61.36 1ub7 s VAL 132 Cb -0.03 -0.73 0.03 0.00 0.00 0.00 0.00 36.38 35.65 1ub7 s VAL 132 CO -0.04 0.26 0.58 -0.22 0.00 0.00 0.00 175.10 175.68 1ub7 s LEU 133 N 0.34 4.65 -0.35 3.92 2.96 0.15 0.02 118.68 130.36 1ub7 s LEU 133 Ca -0.06 -0.49 -0.11 0.00 -0.22 0.00 0.00 54.13 53.25 1ub7 s LEU 133 Cb -0.10 -2.60 0.01 0.00 0.50 0.00 0.00 46.19 43.99 1ub7 s LEU 133 CO 0.01 -0.73 0.21 0.00 -1.32 0.00 0.00 176.35 174.51 1ub7 s ALA 134 N 2.60 3.34 -0.09 5.97 0.00 0.05 -1.21 121.76 132.43 1ub7 s ALA 134 Ca 0.19 -1.54 -0.00 0.00 0.00 0.00 0.00 51.96 50.61 1ub7 s ALA 134 Cb -0.15 -2.57 -0.03 0.00 0.00 0.00 0.00 23.12 20.37 1ub7 s ALA 134 CO 0.17 -1.15 -0.06 0.08 0.00 0.00 0.00 175.76 174.80 1ub7 s VAL 135 N 1.62 3.72 -0.29 0.00 1.01 0.34 -1.63 120.40 125.17 1ub7 s VAL 135 Ca 0.04 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1ub7 s VAL 135 Cb -0.18 -2.55 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1ub7 s VAL 135 CO 0.08 0.57 -0.01 -0.83 0.00 0.00 0.00 175.10 174.91 1ub7 s GLY 136 N -0.52 1.74 -0.06 4.51 0.00 -0.02 0.12 107.32 113.10 1ub7 s GLY 136 Ca 0.08 -1.74 -0.02 0.00 0.00 0.00 0.00 44.72 43.03 1ub7 s GLY 136 CO 0.02 0.68 0.13 0.00 0.00 0.00 0.00 173.10 173.93 1ub7 s ALA 137 N 1.25 -0.22 -0.02 3.20 0.00 -0.74 -0.05 121.76 125.18 1ub7 s ALA 137 Ca -0.05 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.55 1ub7 s ALA 137 Cb -0.20 -0.44 0.02 0.00 0.00 0.00 0.00 23.12 22.51 1ub7 s ALA 137 CO -0.01 -0.15 -0.00 -1.21 0.00 0.00 0.00 175.76 174.38 1ub7 s GLU 138 N 1.17 0.20 -0.66 0.00 0.41 -0.59 -4.37 118.70 114.87 1ub7 s GLU 138 Ca -0.09 0.03 0.05 0.00 -0.41 0.00 0.00 54.97 54.55 1ub7 s GLU 138 Cb -0.12 -0.33 0.27 0.00 -1.78 0.00 0.00 34.13 32.17 1ub7 s GLU 138 CO -0.06 -0.07 0.84 0.00 -0.49 0.00 0.00 175.26 175.48 1ub7 n ALA 139 N 3.72 4.27 0.25 5.21 0.00 -1.26 -1.93 120.51 130.77 1ub7 n ALA 139 Ca -0.22 -4.77 0.09 0.00 0.00 0.00 0.00 53.44 48.55 1ub7 n ALA 139 Cb 0.54 -0.98 0.66 0.00 0.00 0.00 0.00 19.45 19.67 1ub7 n ALA 139 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ub7 h LEU 140 N 4.06 0.00 0.00 0.00 3.38 -1.96 -2.11 115.31 118.69 1ub7 h LEU 140 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1ub7 h LEU 140 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1ub7 h LEU 140 CO 0.87 0.09 0.00 -1.54 0.09 0.00 0.00 178.44 177.95 1ub7 n SER 141 N -4.15 0.00 -0.00 -0.43 3.41 -1.26 -1.30 113.62 109.88 1ub7 n SER 141 Ca -0.03 -0.05 0.10 0.00 -0.26 0.00 0.00 58.87 58.63 1ub7 n SER 141 Cb 0.17 -0.03 -0.13 0.00 -0.26 0.00 0.00 64.21 63.97 1ub7 n SER 141 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ub7 n LYS 142 N -1.03 0.58 0.00 4.33 4.76 -0.79 -4.41 118.16 121.60 1ub7 n LYS 142 Ca 0.02 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1ub7 n LYS 142 Cb 0.01 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 31.76 1ub7 n LYS 142 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1ub7 n ILE 143 N -1.72 0.31 -3.10 -0.18 -5.35 -0.42 -5.05 119.36 103.84 1ub7 n ILE 143 Ca 0.01 -0.48 -0.39 0.00 -0.27 0.00 0.00 62.75 61.62 1ub7 n ILE 143 Cb 0.38 1.03 -0.06 0.00 -1.74 0.00 0.00 39.64 39.25 1ub7 n ILE 143 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1ub7 s ILE 144 N -0.31 4.63 -0.70 7.28 2.07 -0.72 -3.74 121.20 129.71 1ub7 s ILE 144 Ca 0.00 1.48 -0.25 0.00 -1.41 0.00 0.00 60.65 60.47 1ub7 s ILE 144 Cb 0.00 -4.03 0.05 0.00 0.13 0.00 0.00 42.46 38.61 1ub7 s ILE 144 CO 0.00 0.49 1.13 -0.62 -1.91 0.00 0.00 174.94 174.03 1ub7 s ASP 145 N -0.78 6.17 0.61 4.50 2.15 -1.26 -4.88 116.67 123.19 1ub7 s ASP 145 Ca 0.34 -0.68 0.27 0.00 0.43 0.00 0.00 52.55 52.91 1ub7 s ASP 145 Cb -0.21 -2.50 1.35 0.00 -0.30 0.00 0.00 42.92 41.26 1ub7 s ASP 145 CO 0.22 -1.65 1.76 -0.50 -0.17 0.00 0.00 175.17 174.83 1ub7 h TRP 146 N 9.81 0.00 0.02 -5.34 -0.00 -1.96 -0.96 115.95 117.52 1ub7 h TRP 146 Ca -0.28 0.00 -0.27 0.00 -0.00 0.00 0.00 58.89 58.34 1ub7 h TRP 146 Cb 1.06 0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 30.18 1ub7 h TRP 146 CO 1.05 0.00 -1.47 -0.91 -0.00 0.00 0.00 178.44 177.12 1ub7 h ASN 147 N 0.00 0.06 -2.12 -3.49 -0.26 -2.00 -3.46 115.58 104.30 1ub7 h ASN 147 Ca 0.21 -0.09 -0.55 0.00 -0.56 0.00 0.00 56.30 55.31 1ub7 h ASN 147 Cb 1.40 -0.02 -0.01 0.00 -1.06 0.00 0.00 38.32 38.63 1ub7 h ASN 147 CO -0.00 1.08 1.44 -0.62 -1.06 0.00 0.00 177.43 178.26 1ub7 s ASP 148 N -6.42 5.36 0.20 5.81 -1.08 -0.36 -4.87 116.67 115.30 1ub7 s ASP 148 Ca -0.04 1.36 -0.16 0.00 -0.52 0.00 0.00 52.55 53.19 1ub7 s ASP 148 Cb 0.08 -2.52 0.19 0.00 -1.46 0.00 0.00 42.92 39.22 1ub7 s ASP 148 CO 0.82 -2.12 1.62 0.08 0.52 0.00 0.00 175.17 176.09 1ub7 h ARG 149 N 15.31 -0.06 -0.44 4.34 0.11 -1.87 -2.06 114.38 129.70 1ub7 h ARG 149 Ca -0.33 0.00 0.09 0.00 0.10 0.00 0.00 59.98 59.84 1ub7 h ARG 149 Cb 1.21 0.01 -0.08 0.00 1.11 0.00 0.00 29.97 32.23 1ub7 h ARG 149 CO 1.05 -0.04 -0.08 0.00 0.10 0.00 0.00 179.97 181.00 1ub7 h ALA 150 N 1.41 0.32 0.00 0.08 0.00 -1.96 -3.35 119.26 115.76 1ub7 h ALA 150 Ca 0.27 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ub7 h ALA 150 Cb 0.48 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ub7 h ALA 150 CO -0.63 -0.44 -0.01 1.79 0.00 0.00 0.00 179.25 179.96 1ub7 h THR 151 N 0.03 0.00 0.00 0.00 1.35 -1.82 -3.41 112.91 109.06 1ub7 h THR 151 Ca 0.21 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.98 1ub7 h THR 151 Cb 0.32 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.74 1ub7 h THR 151 CO -0.43 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.84 1ub7 n ALA 152 N -2.11 0.00 1.13 6.62 0.00 -0.80 0.21 120.51 125.56 1ub7 n ALA 152 Ca -0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1ub7 n ALA 152 Cb 0.00 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.02 1ub7 n ALA 152 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1ub7 n VAL 153 N -3.58 0.00 0.03 0.00 0.24 -1.26 -4.21 118.33 109.56 1ub7 n VAL 153 Ca 0.00 -0.01 -0.21 0.00 -2.04 0.00 0.00 64.34 62.08 1ub7 n VAL 153 Cb 0.00 -0.29 -0.14 0.00 -1.47 0.00 0.00 33.84 31.94 1ub7 n VAL 153 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 1ub7 h LEU 154 N 0.10 0.47 -9.70 1.34 3.38 0.22 -3.48 115.31 107.63 1ub7 h LEU 154 Ca 0.00 -0.86 -0.65 0.00 0.09 0.00 0.00 57.88 56.45 1ub7 h LEU 154 Cb 0.44 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.98 1ub7 h LEU 154 CO 0.00 1.76 -0.45 -0.36 0.09 0.00 0.00 178.44 179.47 1ub7 s PHE 155 N -2.57 3.59 0.11 1.13 0.08 -1.25 -0.50 117.98 118.58 1ub7 s PHE 155 Ca -0.18 0.52 0.07 0.00 0.12 0.00 0.00 56.93 57.45 1ub7 s PHE 155 Cb 0.06 -1.94 -0.04 0.00 -0.57 0.00 0.00 43.02 40.54 1ub7 s PHE 155 CO 0.81 0.69 -0.16 0.20 -0.10 0.00 0.00 175.22 176.66 1ub7 s GLY 156 N -1.36 1.12 0.31 4.36 0.00 -0.59 -4.72 107.32 106.44 1ub7 s GLY 156 Ca 0.20 -1.24 -0.12 0.00 0.00 0.00 0.00 44.72 43.56 1ub7 s GLY 156 CO 0.10 -1.28 0.68 0.99 0.00 0.00 0.00 173.10 173.59 1ub7 s ASP 157 N -2.19 6.65 -0.02 1.64 1.01 -0.74 -3.64 116.67 119.38 1ub7 s ASP 157 Ca 0.07 1.11 -0.30 0.00 0.71 0.00 0.00 52.55 54.14 1ub7 s ASP 157 Cb -0.07 -2.30 0.11 0.00 1.01 0.00 0.00 42.92 41.67 1ub7 s ASP 157 CO 0.04 -0.21 1.30 -0.83 0.21 0.00 0.00 175.17 175.67 1ub7 s GLY 158 N -2.57 -0.31 -0.17 0.21 0.00 -0.81 -4.36 107.32 99.32 1ub7 s GLY 158 Ca 0.51 0.45 -0.15 0.00 0.00 0.00 0.00 44.72 45.53 1ub7 s GLY 158 CO 0.22 2.24 0.45 -0.32 0.00 0.00 0.00 173.10 175.69 1ub7 s GLY 159 N -3.30 -0.34 0.08 0.20 0.00 -0.43 -1.54 107.32 102.00 1ub7 s GLY 159 Ca 0.20 1.29 -0.04 0.00 0.00 0.00 0.00 44.72 46.17 1ub7 s GLY 159 CO -0.03 1.14 0.07 -0.32 0.00 0.00 0.00 173.10 173.96 1ub7 s GLY 160 N 0.33 0.41 -0.00 0.20 0.00 0.93 -0.02 107.32 109.16 1ub7 s GLY 160 Ca -0.01 -1.03 -0.27 0.00 0.00 0.00 0.00 44.72 43.41 1ub7 s GLY 160 CO -0.00 -1.12 0.61 0.00 0.00 0.00 0.00 173.10 172.59 1ub7 s ALA 161 N -3.92 -1.60 0.03 3.20 0.00 0.01 -0.84 121.76 118.65 1ub7 s ALA 161 Ca 0.09 1.01 -0.12 0.00 0.00 0.00 0.00 51.96 52.94 1ub7 s ALA 161 Cb 0.07 0.20 0.01 0.00 0.00 0.00 0.00 23.12 23.40 1ub7 s ALA 161 CO -0.08 -0.44 0.26 0.00 0.00 0.00 0.00 175.76 175.50 1ub7 s ALA 162 N -1.78 -0.57 -0.19 0.00 0.00 -0.65 -1.65 121.76 116.92 1ub7 s ALA 162 Ca -0.09 -0.06 -0.06 0.00 0.00 0.00 0.00 51.96 51.76 1ub7 s ALA 162 Cb -0.01 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 23.35 1ub7 s ALA 162 CO 0.04 -0.37 0.02 0.08 0.00 0.00 0.00 175.76 175.54 1ub7 s VAL 163 N -2.34 4.22 -0.16 0.00 1.01 -0.42 -0.77 120.40 121.95 1ub7 s VAL 163 Ca -0.07 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.62 1ub7 s VAL 163 Cb -0.02 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 1ub7 s VAL 163 CO -0.02 0.43 0.09 -0.69 0.00 0.00 0.00 175.10 174.91 1ub7 s VAL 164 N 0.81 5.03 0.33 2.92 1.01 0.10 -0.57 120.40 130.03 1ub7 s VAL 164 Ca 0.01 0.04 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 1ub7 s VAL 164 Cb -0.14 -3.24 0.06 0.00 0.00 0.00 0.00 36.38 33.06 1ub7 s VAL 164 CO 0.02 0.50 0.80 0.61 0.00 0.00 0.00 175.10 177.04 1ub7 n GLY 165 N 3.08 0.94 3.74 4.51 0.00 -0.08 -0.66 105.19 116.72 1ub7 n GLY 165 Ca -0.17 -1.22 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1ub7 n GLY 165 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ub7 s LYS 166 N -2.08 4.23 0.30 1.61 -0.14 -1.26 -0.04 119.74 122.37 1ub7 s LYS 166 Ca 0.17 2.36 0.09 0.00 -1.36 0.00 0.00 55.97 57.22 1ub7 s LYS 166 Cb -0.04 -3.11 -0.06 0.00 -1.68 0.00 0.00 37.83 32.94 1ub7 s LYS 166 CO 0.10 -0.51 -0.10 0.14 -0.76 0.00 0.00 175.35 174.22 1ub7 s VAL 167 N 0.37 2.04 0.74 3.17 -7.23 -1.26 -4.81 120.40 113.41 1ub7 s VAL 167 Ca 0.63 -2.21 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 1ub7 s VAL 167 Cb -0.43 -2.48 0.01 0.00 0.56 0.00 0.00 36.38 34.04 1ub7 s VAL 167 CO 0.40 -0.30 0.88 0.54 -0.31 0.00 0.00 175.10 176.31 1ub7 n ARG 168 N -0.66 0.40 -1.64 4.82 1.74 0.08 -4.81 116.66 116.59 1ub7 n ARG 168 Ca -0.05 0.19 -0.51 0.00 -0.77 0.00 0.00 57.85 56.71 1ub7 n ARG 168 Cb 0.63 -2.15 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 1ub7 n ARG 168 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1ub7 n GLU 169 N -1.75 1.53 0.00 5.56 4.07 -1.26 -1.33 120.64 127.45 1ub7 n GLU 169 Ca 0.12 0.55 0.00 0.00 -0.06 0.00 0.00 57.16 57.77 1ub7 n GLU 169 Cb 0.50 -2.25 0.00 0.00 -0.06 0.00 0.00 31.44 29.62 1ub7 n GLU 169 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1ub7 n GLY 170 N 3.14 3.37 3.77 8.31 0.00 -1.26 -5.06 105.19 117.46 1ub7 n GLY 170 Ca 0.19 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1ub7 n GLY 170 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ub7 s TYR 171 N -2.93 2.70 0.00 1.61 1.51 -0.44 -4.91 117.35 114.88 1ub7 s TYR 171 Ca 0.00 -0.44 0.00 0.00 -1.01 0.00 0.00 57.07 55.62 1ub7 s TYR 171 Cb 0.00 -1.81 0.00 0.00 -0.11 0.00 0.00 41.96 40.04 1ub7 s TYR 171 CO 0.00 0.22 0.00 0.41 -1.11 0.00 0.00 175.55 175.07 1ub7 n GLY 172 N -1.25 -0.89 3.73 0.71 0.00 -0.10 -4.77 105.19 102.62 1ub7 n GLY 172 Ca -0.01 -2.15 -0.42 0.00 0.00 0.00 0.00 46.02 43.44 1ub7 n GLY 172 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ub7 s PHE 173 N 0.00 3.27 -0.05 1.61 0.08 0.14 -0.04 117.98 122.99 1ub7 s PHE 173 Ca 0.00 1.12 0.10 0.00 0.12 0.00 0.00 56.93 58.27 1ub7 s PHE 173 Cb 0.00 -3.62 -0.15 0.00 -0.57 0.00 0.00 43.02 38.69 1ub7 s PHE 173 CO 0.00 -2.02 0.15 0.54 -0.10 0.00 0.00 175.22 173.79 1ub7 n ARG 174 N 3.30 1.16 -3.57 0.44 1.74 0.10 -4.74 116.66 115.10 1ub7 n ARG 174 Ca 0.09 -0.06 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 1ub7 n ARG 174 Cb 0.43 -1.25 -0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1ub7 n ARG 174 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1ub7 s SER 175 N -3.64 -0.35 -0.10 0.55 1.04 -1.14 -4.46 113.70 105.60 1ub7 s SER 175 Ca -0.04 -0.14 -0.08 0.00 0.48 0.00 0.00 55.95 56.17 1ub7 s SER 175 Cb 0.05 0.47 0.03 0.00 0.10 0.00 0.00 66.02 66.67 1ub7 s SER 175 CO 0.43 -0.79 0.25 -0.36 0.98 0.00 0.00 173.24 173.75 1ub7 s PHE 176 N -3.31 -0.30 -0.14 5.02 0.08 -1.26 -2.39 117.98 115.68 1ub7 s PHE 176 Ca 0.06 0.72 -0.01 0.00 0.12 0.00 0.00 56.93 57.83 1ub7 s PHE 176 Cb -0.01 0.09 0.03 0.00 -0.57 0.00 0.00 43.02 42.56 1ub7 s PHE 176 CO -0.06 -0.16 -0.06 0.08 -0.10 0.00 0.00 175.22 174.91 1ub7 s VAL 177 N 0.46 1.04 0.02 -0.44 1.01 0.61 -4.97 120.40 118.13 1ub7 s VAL 177 Ca -0.03 -0.44 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1ub7 s VAL 177 Cb -0.04 -1.14 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1ub7 s VAL 177 CO -0.02 0.24 -0.13 -0.76 0.00 0.00 0.00 175.10 174.43 1ub7 s LEU 178 N 1.68 2.13 0.18 3.92 1.43 -1.26 0.04 118.68 126.80 1ub7 s LEU 178 Ca 0.03 -0.38 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 1ub7 s LEU 178 Cb -0.14 -0.56 0.06 0.00 0.03 0.00 0.00 46.19 45.58 1ub7 s LEU 178 CO -0.08 0.05 0.78 -0.83 0.23 0.00 0.00 176.35 176.50 1ub7 s GLY 179 N -0.89 -0.31 0.12 -3.19 0.00 -0.08 -4.99 107.32 97.99 1ub7 s GLY 179 Ca 0.02 0.19 -0.11 0.00 0.00 0.00 0.00 44.72 44.81 1ub7 s GLY 179 CO 0.01 0.06 0.28 0.00 0.00 0.00 0.00 173.10 173.44 1ub7 s ALA 180 N -3.60 -0.37 -0.39 3.20 0.00 -1.26 -1.45 121.76 117.89 1ub7 s ALA 180 Ca 0.08 -0.53 0.07 0.00 0.00 0.00 0.00 51.96 51.59 1ub7 s ALA 180 Cb -0.03 0.64 0.18 0.00 0.00 0.00 0.00 23.12 23.91 1ub7 s ALA 180 CO -0.01 -0.59 0.63 0.34 0.00 0.00 0.00 175.76 176.13 1ub7 s ASP 181 N -2.87 -1.54 0.00 0.00 -1.08 0.23 -4.96 116.67 106.46 1ub7 s ASP 181 Ca 0.07 -0.64 0.15 0.00 -0.52 0.00 0.00 52.55 51.61 1ub7 s ASP 181 Cb 0.04 1.96 0.63 0.00 -1.46 0.00 0.00 42.92 44.09 1ub7 s ASP 181 CO -0.08 -0.19 1.46 0.61 0.52 0.00 0.00 175.17 177.49 1ub7 n GLY 182 N 4.55 -0.98 0.23 2.66 0.00 -1.25 0.04 105.19 110.44 1ub7 n GLY 182 Ca 0.10 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.23 1ub7 n GLY 182 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1ub7 h THR 183 N 0.00 0.00 -0.93 2.61 1.35 -1.95 -1.05 112.91 112.94 1ub7 h THR 183 Ca 0.00 -0.24 -0.62 0.00 -0.55 0.00 0.00 66.41 65.00 1ub7 h THR 183 Cb 0.24 1.06 -0.31 0.00 -1.73 0.00 0.00 68.15 67.41 1ub7 h THR 183 CO 0.00 0.00 0.49 0.61 -0.25 0.00 0.00 175.52 176.37 1ub7 n GLY 184 N -0.43 5.85 0.11 5.82 0.00 -1.05 -4.52 105.19 110.96 1ub7 n GLY 184 Ca -0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 46.02 43.76 1ub7 n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub7 h ALA 185 N 1.92 0.56 0.00 4.61 0.00 -1.29 -3.25 119.26 121.82 1ub7 h ALA 185 Ca 0.55 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ub7 h ALA 185 Cb 1.14 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1ub7 h ALA 185 CO 1.35 0.89 0.00 1.57 0.00 0.00 0.00 179.25 183.06 1ub7 h LYS 186 N 0.00 0.00 0.00 0.00 2.10 -1.83 -3.24 116.57 113.60 1ub7 h LYS 186 Ca -0.01 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.62 1ub7 h LYS 186 Cb 1.52 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.84 1ub7 h LYS 186 CO 0.09 0.00 -0.10 0.93 -2.00 0.00 0.00 179.45 178.38 1ub7 h GLU 187 N 0.00 0.00 -1.86 0.07 4.39 -1.91 -3.45 114.58 111.83 1ub7 h GLU 187 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1ub7 h GLU 187 Cb 0.57 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.01 1ub7 h GLU 187 CO 0.00 0.10 0.01 -1.17 -1.16 0.00 0.00 179.01 176.79 1ub7 s LEU 188 N -6.36 -0.96 0.04 1.33 2.96 -1.22 -0.78 118.68 113.70 1ub7 s LEU 188 Ca 0.03 1.41 -0.28 0.00 -0.22 0.00 0.00 54.13 55.07 1ub7 s LEU 188 Cb 0.08 2.22 0.10 0.00 0.50 0.00 0.00 46.19 49.09 1ub7 s LEU 188 CO 0.62 -0.21 1.20 -0.72 -1.32 0.00 0.00 176.35 175.92 1ub7 s TYR 189 N 2.23 -0.02 -0.30 5.38 -0.85 -0.98 -4.54 117.35 118.28 1ub7 s TYR 189 Ca -0.07 -0.17 -0.02 0.00 -0.52 0.00 0.00 57.07 56.29 1ub7 s TYR 189 Cb -0.08 0.59 0.19 0.00 0.38 0.00 0.00 41.96 43.04 1ub7 s TYR 189 CO -0.19 -0.46 0.75 -1.58 -1.52 0.00 0.00 175.55 172.55 1ub7 s HIS 190 N -2.40 -1.33 1.11 -3.49 2.46 -1.26 -1.54 115.29 108.85 1ub7 s HIS 190 Ca 0.19 1.06 -0.18 0.00 0.47 0.00 0.00 55.06 56.60 1ub7 s HIS 190 Cb 0.01 0.34 0.12 0.00 -0.13 0.00 0.00 32.58 32.92 1ub7 s HIS 190 CO -0.01 -0.75 0.05 0.00 -2.47 0.00 0.00 174.74 171.56 1ub7 n ALA 191 N 5.38 -3.52 0.09 1.58 0.00 -1.26 -5.00 120.51 117.79 1ub7 n ALA 191 Ca 0.02 -1.28 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1ub7 n ALA 191 Cb 0.54 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ub7 n ALA 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ub7 n VAL 193 N -2.99 0.00 -4.63 0.00 0.31 -1.26 -5.02 118.33 104.74 1ub7 n VAL 193 Ca 0.00 -0.17 -0.33 0.00 -0.01 0.00 0.00 64.34 63.84 1ub7 n VAL 193 Cb 0.00 0.47 -0.11 0.00 -0.91 0.00 0.00 33.84 33.29 1ub7 n VAL 193 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ub7 s ALA 194 N -2.25 2.89 -0.99 3.52 0.00 -1.26 -5.04 121.76 118.63 1ub7 s ALA 194 Ca -0.01 -0.99 0.26 0.00 0.00 0.00 0.00 51.96 51.21 1ub7 s ALA 194 Cb 0.04 -1.09 0.60 0.00 0.00 0.00 0.00 23.12 22.67 1ub7 s ALA 194 CO 0.23 0.58 1.48 -0.35 0.00 0.00 0.00 175.76 177.71 1ub7 n PRO 195 N 1.93 0.01 -3.97 0.00 -0.04 -1.26 -4.73 135.00 126.94 1ub7 n PRO 195 Ca -0.17 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.20 1ub7 n PRO 195 Cb 0.53 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 32.41 1ub7 n PRO 195 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1ub7 s ARG 196 N -3.00 1.20 0.35 0.54 1.04 -1.26 0.79 118.95 118.61 1ub7 s ARG 196 Ca 0.11 -1.19 0.07 0.00 -1.04 0.00 0.00 55.73 53.68 1ub7 s ARG 196 Cb 0.18 0.39 -0.01 0.00 -2.04 0.00 0.00 34.95 33.47 1ub7 s ARG 196 CO 0.68 -0.45 0.48 -0.51 -0.04 0.00 0.00 175.30 175.46 1ub7 s LEU 197 N -2.98 3.92 0.57 -1.89 1.43 0.06 -4.90 118.68 114.90 1ub7 s LEU 197 Ca 0.18 -0.23 0.29 0.00 -1.03 0.00 0.00 54.13 53.34 1ub7 s LEU 197 Cb 0.03 -2.74 1.47 0.00 0.03 0.00 0.00 46.19 44.99 1ub7 s LEU 197 CO 0.01 -0.48 1.91 -0.65 0.23 0.00 0.00 176.35 177.37 1ub7 h PRO 198 N 0.85 0.00 0.00 1.29 0.11 -1.97 0.13 132.00 132.42 1ub7 h PRO 198 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1ub7 h PRO 198 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 1ub7 h PRO 198 CO 0.51 0.00 -0.47 -0.40 -0.21 0.00 0.00 178.00 177.44 1ub7 n ASP 199 N -3.90 0.59 0.00 -2.05 5.68 -1.26 -4.94 116.55 110.67 1ub7 n ASP 199 Ca 0.10 0.11 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 1ub7 n ASP 199 Cb 0.71 0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 1ub7 n ASP 199 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ub7 n GLY 200 N 1.39 1.66 3.57 6.12 0.00 0.47 -5.06 105.19 113.34 1ub7 n GLY 200 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.62 1ub7 n GLY 200 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ub7 n THR 201 N -0.54 0.30 -2.03 2.61 -1.04 -1.26 -4.59 114.28 107.73 1ub7 n THR 201 Ca 0.00 -0.44 -0.35 0.00 -2.04 0.00 0.00 64.05 61.22 1ub7 n THR 201 Cb 0.00 -2.42 0.03 0.00 -1.82 0.00 0.00 70.33 66.11 1ub7 n THR 201 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 1ub7 s SER 202 N 8.32 5.37 0.00 8.00 0.15 -1.26 -0.76 113.70 133.52 1ub7 s SER 202 Ca 1.02 2.17 0.07 0.00 0.70 0.00 0.00 55.95 59.92 1ub7 s SER 202 Cb -0.42 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.29 1ub7 s SER 202 CO 0.37 -1.46 -0.21 -0.04 1.20 0.00 0.00 173.24 173.10 1ub7 s MET 203 N -3.56 2.12 0.41 5.44 -1.94 0.24 -4.88 119.30 117.13 1ub7 s MET 203 Ca 0.72 -0.93 0.08 0.00 -1.71 0.00 0.00 55.69 53.84 1ub7 s MET 203 Cb -0.24 -2.14 -0.02 0.00 2.01 0.00 0.00 34.83 34.44 1ub7 s MET 203 CO 0.33 0.56 0.38 0.21 -0.01 0.00 0.00 175.02 176.49 1ub7 s LYS 204 N -1.01 2.55 0.00 2.03 2.36 -1.26 -4.78 119.74 119.63 1ub7 s LYS 204 Ca 0.12 -1.51 0.00 0.00 -2.55 0.00 0.00 55.97 52.03 1ub7 s LYS 204 Cb -0.10 -2.40 0.00 0.00 -1.05 0.00 0.00 37.83 34.28 1ub7 s LYS 204 CO 0.02 -0.19 0.28 0.27 1.55 0.00 0.00 175.35 177.28 1ub7 n ASN 205 N -1.56 0.57 -4.01 1.43 0.23 -1.26 -4.26 115.26 106.40 1ub7 n ASN 205 Ca 0.04 -1.12 -0.08 0.00 -0.53 0.00 0.00 54.58 52.89 1ub7 n ASN 205 Cb 0.62 -0.28 -0.09 0.00 -2.08 0.00 0.00 39.78 37.94 1ub7 n ASN 205 CO 0.00 0.00 0.00 -0.13 -0.93 0.00 0.00 177.26 176.20 1ub7 s ARG 206 N -0.99 0.62 0.11 -3.83 1.81 -1.26 -5.03 118.95 110.39 1ub7 s ARG 206 Ca 0.00 -1.05 -0.31 0.00 -1.72 0.00 0.00 55.73 52.66 1ub7 s ARG 206 Cb 0.00 0.23 -0.10 0.00 -0.45 0.00 0.00 34.95 34.63 1ub7 s ARG 206 CO 0.00 -0.14 1.83 -1.17 -0.68 0.00 0.00 175.30 175.14 1ub7 s LEU 207 N -2.66 4.40 0.03 2.53 0.20 -1.25 -4.69 118.68 117.25 1ub7 s LEU 207 Ca 0.03 2.73 0.09 0.00 0.69 0.00 0.00 54.13 57.67 1ub7 s LEU 207 Cb 0.04 -3.56 -0.03 0.00 -0.43 0.00 0.00 46.19 42.22 1ub7 s LEU 207 CO -0.09 -1.00 -0.26 -0.47 -0.29 0.00 0.00 176.35 174.24 1ub7 s TYR 208 N 2.93 2.33 -0.11 5.38 5.04 -0.59 -4.85 117.35 127.48 1ub7 s TYR 208 Ca 0.81 -0.42 -0.06 0.00 -2.44 0.00 0.00 57.07 54.96 1ub7 s TYR 208 Cb -0.45 -1.42 0.04 0.00 0.35 0.00 0.00 41.96 40.48 1ub7 s TYR 208 CO 0.37 0.08 0.26 1.41 -1.34 0.00 0.00 175.55 176.33 1ub7 s MET 209 N -1.07 0.24 -1.12 4.97 -2.45 -1.26 -2.33 119.30 116.28 1ub7 s MET 209 Ca 0.11 0.50 -0.07 0.00 -1.25 0.00 0.00 55.69 54.98 1ub7 s MET 209 Cb -0.10 -0.05 0.28 0.00 1.25 0.00 0.00 34.83 36.21 1ub7 s MET 209 CO 0.01 -0.13 1.33 -1.71 1.05 0.00 0.00 175.02 175.57 1ub7 n ASN 210 N 3.92 5.88 -0.29 1.11 2.85 0.04 -4.92 115.26 123.86 1ub7 n ASN 210 Ca -0.22 -3.20 0.10 0.00 -0.11 0.00 0.00 54.58 51.15 1ub7 n ASN 210 Cb 0.54 -1.35 0.24 0.00 1.24 0.00 0.00 39.78 40.46 1ub7 n ASN 210 CO 0.00 0.00 0.00 1.23 -2.11 0.00 0.00 177.26 176.38 1ub7 h GLY 211 N 6.35 1.17 0.51 8.20 0.00 -1.98 -2.02 103.07 115.30 1ub7 h GLY 211 Ca 0.21 0.03 0.09 0.00 0.00 0.00 0.00 47.33 47.66 1ub7 h GLY 211 CO 1.20 -0.35 0.37 3.21 0.00 0.00 0.00 176.54 180.97 1ub7 h ARG 212 N 0.16 0.61 0.12 4.80 -0.00 -1.98 0.21 114.38 118.30 1ub7 h ARG 212 Ca 0.51 -0.04 -0.29 0.00 -0.50 0.00 0.00 59.98 59.66 1ub7 h ARG 212 Cb 0.98 -0.14 0.02 0.00 0.00 0.00 0.00 29.97 30.83 1ub7 h ARG 212 CO -0.68 0.41 -1.23 0.93 0.00 0.00 0.00 179.97 179.40 1ub7 h GLU 213 N 0.63 0.53 -0.45 0.04 4.39 -1.89 -2.86 114.58 114.98 1ub7 h GLU 213 Ca 0.35 -0.73 0.02 0.00 0.34 0.00 0.00 59.36 59.33 1ub7 h GLU 213 Cb 0.34 0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.22 1ub7 h GLU 213 CO -0.25 1.33 0.30 0.28 -1.16 0.00 0.00 179.01 179.50 1ub7 h VAL 214 N 0.22 1.07 -0.01 3.13 2.07 -0.86 0.47 116.25 122.35 1ub7 h VAL 214 Ca -0.17 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 67.16 1ub7 h VAL 214 Cb 1.91 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1ub7 h VAL 214 CO 0.23 0.10 -0.01 0.15 0.02 0.00 0.00 177.57 178.06 1ub7 h PHE 215 N 0.54 0.03 -0.86 1.57 3.04 -0.59 -0.95 116.94 119.73 1ub7 h PHE 215 Ca 0.17 -0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.19 1ub7 h PHE 215 Cb 0.04 -0.01 -0.07 0.00 2.56 0.00 0.00 35.95 38.47 1ub7 h PHE 215 CO -0.00 0.41 0.52 -0.22 -2.02 0.00 0.00 178.31 177.00 1ub7 h LYS 216 N -0.36 0.90 0.67 1.11 3.64 -1.14 -2.46 116.57 118.92 1ub7 h LYS 216 Ca 0.00 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.30 1ub7 h LYS 216 Cb 0.40 -0.20 0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1ub7 h LYS 216 CO 0.00 0.59 -0.32 0.35 -2.27 0.00 0.00 179.45 177.80 1ub7 h PHE 217 N 0.92 -0.83 -0.58 1.91 3.57 -0.83 -3.01 116.94 118.09 1ub7 h PHE 217 Ca 0.39 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.95 1ub7 h PHE 217 Cb 0.25 0.27 -0.10 0.00 2.79 0.00 0.00 35.95 39.16 1ub7 h PHE 217 CO -0.04 -0.52 -0.46 0.00 -2.23 0.00 0.00 178.31 175.07 1ub7 h ALA 218 N -1.41 -0.40 -0.31 2.41 0.00 -1.10 0.24 119.26 118.69 1ub7 h ALA 218 Ca -0.09 0.10 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1ub7 h ALA 218 Cb 0.69 1.01 -0.08 0.00 0.00 0.00 0.00 17.79 19.40 1ub7 h ALA 218 CO 0.15 -0.86 -0.33 0.28 0.00 0.00 0.00 179.25 178.48 1ub7 h VAL 219 N -0.24 0.24 -0.24 0.00 2.07 -1.53 0.69 116.25 117.24 1ub7 h VAL 219 Ca 0.17 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.55 1ub7 h VAL 219 Cb 0.56 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 1ub7 h VAL 219 CO -0.69 0.00 -0.37 0.03 0.02 0.00 0.00 177.57 176.56 1ub7 h ARG 220 N -0.31 0.67 0.47 1.57 3.08 -1.28 -2.92 114.38 115.66 1ub7 h ARG 220 Ca 0.14 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 59.77 1ub7 h ARG 220 Cb 0.54 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1ub7 h ARG 220 CO -0.48 1.02 -0.23 -0.24 -1.07 0.00 0.00 179.97 178.97 1ub7 h VAL 221 N 0.38 0.42 -0.94 2.04 3.04 -0.28 -1.84 116.25 119.07 1ub7 h VAL 221 Ca 0.02 -0.44 0.28 0.00 -1.01 0.00 0.00 66.70 65.55 1ub7 h VAL 221 Cb 0.96 0.59 -0.15 0.00 -2.01 0.00 0.00 31.29 30.68 1ub7 h VAL 221 CO 0.08 0.06 0.36 0.24 -1.01 0.00 0.00 177.57 177.31 1ub7 h MET 222 N -0.93 0.22 0.07 4.17 2.86 0.30 -0.50 114.93 121.12 1ub7 h MET 222 Ca -0.06 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.56 1ub7 h MET 222 Cb 0.59 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.20 1ub7 h MET 222 CO 0.11 0.15 -0.03 -0.97 1.06 0.00 0.00 176.91 177.22 1ub7 h ASN 223 N 0.23 -0.08 0.40 1.22 -0.73 -1.42 -2.36 115.58 112.84 1ub7 h ASN 223 Ca 0.64 -0.43 -0.01 0.00 1.87 0.00 0.00 56.30 58.37 1ub7 h ASN 223 Cb 1.39 0.02 -0.01 0.00 0.27 0.00 0.00 38.32 39.99 1ub7 h ASN 223 CO -0.66 0.40 -0.26 0.74 -0.37 0.00 0.00 177.43 177.28 1ub7 h THR 224 N -0.59 0.45 -0.38 -3.57 2.02 -0.43 -2.24 112.91 108.17 1ub7 h THR 224 Ca -0.01 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 1ub7 h THR 224 Cb 0.50 0.45 -0.08 0.00 -1.74 0.00 0.00 68.15 67.28 1ub7 h THR 224 CO 0.02 0.00 -0.18 0.00 0.37 0.00 0.00 175.52 175.72 1ub7 h ALA 225 N -0.09 0.10 -0.22 6.16 0.00 -1.25 0.18 119.26 124.14 1ub7 h ALA 225 Ca -0.04 0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1ub7 h ALA 225 Cb 0.54 0.45 -0.06 0.00 0.00 0.00 0.00 17.79 18.71 1ub7 h ALA 225 CO 0.03 -0.55 -0.18 1.15 0.00 0.00 0.00 179.25 179.70 1ub7 h THR 226 N -0.12 0.52 -0.59 0.00 2.02 -1.28 0.52 112.91 113.98 1ub7 h THR 226 Ca 0.19 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 1ub7 h THR 226 Cb 0.41 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1ub7 h THR 226 CO -0.45 0.00 0.08 -0.07 0.37 0.00 0.00 175.52 175.45 1ub7 h LEU 227 N -0.18 0.94 -0.32 2.58 3.38 -0.82 0.41 115.31 121.30 1ub7 h LEU 227 Ca 0.13 -0.27 0.01 0.00 0.09 0.00 0.00 57.88 57.84 1ub7 h LEU 227 Cb 0.37 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1ub7 h LEU 227 CO -0.33 0.97 0.18 -0.08 0.09 0.00 0.00 178.44 179.28 1ub7 h GLU 228 N 0.88 0.36 0.20 1.13 4.81 0.04 0.55 114.58 122.55 1ub7 h GLU 228 Ca 0.18 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1ub7 h GLU 228 Cb 0.44 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1ub7 h GLU 228 CO 0.01 0.24 -0.09 0.00 -0.73 0.00 0.00 179.01 178.44 1ub7 h ALA 229 N 1.14 -0.26 -0.62 2.92 0.00 0.22 1.24 119.26 123.90 1ub7 h ALA 229 Ca 0.12 -0.12 0.06 0.00 0.00 0.00 0.00 54.91 54.98 1ub7 h ALA 229 Cb 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1ub7 h ALA 229 CO -0.06 -0.57 0.32 0.82 0.00 0.00 0.00 179.25 179.76 1ub7 h ILE 230 N -0.42 0.93 0.00 0.00 2.04 -0.67 0.48 117.51 119.87 1ub7 h ILE 230 Ca -0.03 -0.20 -0.00 0.00 1.00 0.00 0.00 64.86 65.63 1ub7 h ILE 230 Cb 0.32 0.28 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1ub7 h ILE 230 CO 0.04 0.11 -0.00 -0.08 0.00 0.00 0.00 178.15 178.22 1ub7 h GLU 231 N 0.59 -0.00 0.00 2.37 4.57 0.37 -2.19 114.58 120.29 1ub7 h GLU 231 Ca 0.28 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.46 1ub7 h GLU 231 Cb 0.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1ub7 h GLU 231 CO -0.20 0.16 -0.02 -0.22 -1.18 0.00 0.00 179.01 177.55 1ub7 h LYS 232 N -0.16 0.00 0.00 1.92 3.64 0.26 -0.78 116.57 121.45 1ub7 h LYS 232 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ub7 h LYS 232 Cb 0.16 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1ub7 h LYS 232 CO 0.00 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.20 1ub7 n ALA 233 N -2.42 1.96 -1.73 5.00 0.00 0.16 -4.84 120.51 118.64 1ub7 n ALA 233 Ca -0.03 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ub7 n ALA 233 Cb 0.11 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.13 1ub7 n ALA 233 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 234 N 0.63 0.84 0.00 0.00 0.00 -0.30 -4.92 105.19 101.44 1ub7 n GLY 234 Ca 0.04 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.44 1ub7 n GLY 234 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ub7 n LEU 235 N -0.17 0.00 -4.03 0.99 4.77 -0.93 -5.07 117.00 112.56 1ub7 n LEU 235 Ca 0.00 0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.90 1ub7 n LEU 235 Cb 0.39 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.39 1ub7 n LEU 235 CO 0.00 0.00 -0.26 0.42 -1.33 0.00 0.00 177.39 176.22 1ub7 s THR 236 N -1.73 0.17 0.37 -5.08 -4.23 -1.26 -4.28 115.64 99.60 1ub7 s THR 236 Ca 0.00 -1.65 0.18 0.00 -1.18 0.00 0.00 61.69 59.04 1ub7 s THR 236 Cb 0.00 -1.58 0.36 0.00 1.34 0.00 0.00 72.50 72.62 1ub7 s THR 236 CO 0.00 -0.79 1.68 -0.65 -0.54 0.00 0.00 174.62 174.32 1ub7 h PRO 237 N 2.97 0.30 0.00 3.99 0.11 -1.97 0.63 132.00 138.03 1ub7 h PRO 237 Ca -0.34 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.75 1ub7 h PRO 237 Cb 1.17 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ub7 h PRO 237 CO 0.61 0.20 0.00 0.39 -0.21 0.00 0.00 178.00 178.99 1ub7 n GLU 238 N -4.92 0.16 0.04 1.05 4.71 -1.26 -1.09 120.64 119.33 1ub7 n GLU 238 Ca 0.32 0.53 0.12 0.00 -0.01 0.00 0.00 57.16 58.11 1ub7 n GLU 238 Cb 1.04 -1.89 0.22 0.00 -1.01 0.00 0.00 31.44 29.79 1ub7 n GLU 238 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ub7 n ASP 239 N -2.20 0.59 -4.61 1.62 8.00 0.22 -4.85 116.55 115.32 1ub7 n ASP 239 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 1ub7 n ASP 239 Cb 0.12 0.18 -0.04 0.00 -0.02 0.00 0.00 41.12 41.36 1ub7 n ASP 239 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1ub7 s ILE 240 N -3.10 4.67 0.14 0.53 -1.09 -0.25 -4.38 121.20 117.72 1ub7 s ILE 240 Ca 0.08 1.17 -0.12 0.00 -2.23 0.00 0.00 60.65 59.55 1ub7 s ILE 240 Cb 0.15 -4.26 -0.02 0.00 -1.58 0.00 0.00 42.46 36.75 1ub7 s ILE 240 CO 0.71 -0.42 1.52 -0.09 -1.23 0.00 0.00 174.94 175.42 1ub7 h ARG 241 N 8.33 0.89 -2.50 2.79 9.65 -1.42 -3.46 114.38 128.68 1ub7 h ARG 241 Ca -0.24 -0.39 -0.09 0.00 -1.10 0.00 0.00 59.98 58.16 1ub7 h ARG 241 Cb 1.09 -0.02 -0.24 0.00 -1.39 0.00 0.00 29.97 29.40 1ub7 h ARG 241 CO 0.94 1.04 -0.17 -1.17 2.80 0.00 0.00 179.97 183.42 1ub7 s LEU 242 N -9.10 -0.11 -0.20 3.80 2.96 -1.23 -4.69 118.68 110.11 1ub7 s LEU 242 Ca -0.12 1.04 -0.10 0.00 -0.22 0.00 0.00 54.13 54.73 1ub7 s LEU 242 Cb 0.11 1.68 -0.05 0.00 0.50 0.00 0.00 46.19 48.43 1ub7 s LEU 242 CO 0.85 -0.19 0.15 -0.36 -1.32 0.00 0.00 176.35 175.48 1ub7 s PHE 243 N 0.83 3.40 -0.31 5.38 0.40 0.60 -2.03 117.98 126.25 1ub7 s PHE 243 Ca -0.05 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.65 1ub7 s PHE 243 Cb -0.05 -2.19 0.09 0.00 0.51 0.00 0.00 43.02 41.37 1ub7 s PHE 243 CO -0.07 0.25 0.02 0.08 0.70 0.00 0.00 175.22 176.21 1ub7 s VAL 244 N 0.47 1.95 0.39 -0.44 1.01 0.15 -1.10 120.40 122.82 1ub7 s VAL 244 Ca 0.09 -1.96 0.04 0.00 0.00 0.00 0.00 61.98 60.15 1ub7 s VAL 244 Cb -0.12 -2.36 -0.00 0.00 0.00 0.00 0.00 36.38 33.90 1ub7 s VAL 244 CO -0.01 -0.47 0.56 -2.16 0.00 0.00 0.00 175.10 173.02 1ub7 s PRO 245 N 1.10 3.07 0.33 2.72 0.04 -1.26 -2.26 135.00 138.74 1ub7 s PRO 245 Ca 0.06 -0.81 -0.29 0.00 0.04 0.00 0.00 61.00 60.00 1ub7 s PRO 245 Cb -0.19 -2.71 -0.11 0.00 0.04 0.00 0.00 34.50 31.53 1ub7 s PRO 245 CO -0.10 -0.10 1.53 1.58 0.04 0.00 0.00 177.00 179.96 1ub7 n HIS 246 N -1.84 2.87 -2.91 0.56 -0.00 -0.21 -4.70 115.22 108.99 1ub7 n HIS 246 Ca 0.01 0.35 -0.44 0.00 -0.00 0.00 0.00 57.72 57.64 1ub7 n HIS 246 Cb 0.58 -2.56 0.00 0.00 -0.00 0.00 0.00 29.99 28.01 1ub7 n HIS 246 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1ub7 n GLN 247 N 1.39 3.69 -0.12 1.57 1.13 -1.26 -4.66 117.38 119.12 1ub7 n GLN 247 Ca 0.06 -4.06 -0.20 0.00 -1.94 0.00 0.00 57.00 50.85 1ub7 n GLN 247 Cb 0.37 -2.79 -0.10 0.00 0.11 0.00 0.00 30.24 27.84 1ub7 n GLN 247 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1ub7 n ALA 248 N 3.64 1.47 -3.66 -1.58 0.00 -1.26 -3.86 120.51 115.26 1ub7 n ALA 248 Ca 0.32 -0.98 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 1ub7 n ALA 248 Cb 0.38 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.79 1ub7 n ALA 248 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1ub7 s ASN 249 N -6.62 -0.66 0.23 0.00 3.84 -1.26 -4.69 114.94 105.78 1ub7 s ASN 249 Ca -0.32 1.11 -0.08 0.00 0.21 0.00 0.00 52.86 53.78 1ub7 s ASN 249 Cb 0.10 1.00 0.20 0.00 -0.55 0.00 0.00 41.25 42.00 1ub7 s ASN 249 CO 0.49 -0.21 1.87 0.25 -2.79 0.00 0.00 177.10 176.72 1ub7 h LEU 250 N 6.96 1.07 -0.65 3.21 5.85 -1.49 -0.92 115.31 129.34 1ub7 h LEU 250 Ca -0.34 -0.07 0.02 0.00 0.84 0.00 0.00 57.88 58.33 1ub7 h LEU 250 Cb 1.20 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.92 1ub7 h LEU 250 CO 0.24 0.83 0.41 0.03 -0.34 0.00 0.00 178.44 179.61 1ub7 h ARG 251 N 1.22 0.79 -0.51 1.25 2.47 -1.86 0.62 114.38 118.35 1ub7 h ARG 251 Ca 0.32 -0.05 -0.03 0.00 -1.26 0.00 0.00 59.98 58.96 1ub7 h ARG 251 Cb -0.04 -0.18 -0.02 0.00 -1.65 0.00 0.00 29.97 28.08 1ub7 h ARG 251 CO -0.06 0.52 0.19 0.82 0.56 0.00 0.00 179.97 182.00 1ub7 h ILE 252 N 0.81 1.22 -0.35 2.04 2.04 -1.82 0.87 117.51 122.32 1ub7 h ILE 252 Ca 0.26 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.36 1ub7 h ILE 252 Cb -0.00 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 1ub7 h ILE 252 CO -0.09 0.26 -0.01 0.40 0.00 0.00 0.00 178.15 178.71 1ub7 h ILE 253 N 0.69 1.26 0.63 -0.67 2.04 -0.65 -0.73 117.51 120.09 1ub7 h ILE 253 Ca 0.17 -0.99 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1ub7 h ILE 253 Cb 0.22 1.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1ub7 h ILE 253 CO -0.01 0.33 -0.41 -0.78 0.00 0.00 0.00 178.15 177.28 1ub7 h ASP 254 N 0.44 -1.04 -1.00 1.72 3.58 0.56 -0.24 116.42 120.44 1ub7 h ASP 254 Ca 0.10 0.06 0.24 0.00 0.42 0.00 0.00 57.03 57.85 1ub7 h ASP 254 Cb 0.47 0.31 -0.09 0.00 1.72 0.00 0.00 39.33 41.74 1ub7 h ASP 254 CO 0.02 -0.62 0.64 0.00 -2.88 0.00 0.00 179.24 176.40 1ub7 h ALA 255 N -1.28 2.16 0.00 -0.78 0.00 0.79 -0.21 119.26 119.94 1ub7 h ALA 255 Ca -0.08 0.05 -0.19 0.00 0.00 0.00 0.00 54.91 54.69 1ub7 h ALA 255 Cb 0.79 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1ub7 h ALA 255 CO 0.07 -0.52 -0.89 0.00 0.00 0.00 0.00 179.25 177.91 1ub7 h ALA 256 N 1.62 0.45 0.07 0.00 0.00 -0.81 -2.93 119.26 117.66 1ub7 h ALA 256 Ca 0.55 -0.81 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ub7 h ALA 256 Cb 1.33 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1ub7 h ALA 256 CO -0.27 1.11 -0.03 -0.09 0.00 0.00 0.00 179.25 179.97 1ub7 h ARG 257 N 0.00 -0.09 -0.15 0.00 2.43 0.71 -3.15 114.38 114.12 1ub7 h ARG 257 Ca -0.01 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 1ub7 h ARG 257 Cb 1.65 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 31.16 1ub7 h ARG 257 CO 0.12 0.38 -0.38 0.93 -1.51 0.00 0.00 179.97 179.50 1ub7 h GLU 258 N -0.61 -0.43 0.00 0.20 5.08 -1.41 0.58 114.58 118.00 1ub7 h GLU 258 Ca -0.01 0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1ub7 h GLU 258 Cb 0.51 0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1ub7 h GLU 258 CO 0.02 -0.28 0.06 0.54 -1.00 0.00 0.00 179.01 178.34 1ub7 n ARG 259 N -5.43 0.00 0.00 2.33 1.74 -1.11 -0.12 116.66 114.07 1ub7 n ARG 259 Ca -0.03 0.10 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 1ub7 n ARG 259 Cb 0.35 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.23 1ub7 n ARG 259 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1ub7 n LEU 260 N -0.98 1.13 -3.15 0.55 4.77 0.20 -5.03 117.00 114.49 1ub7 n LEU 260 Ca 0.00 -1.13 -0.14 0.00 -0.03 0.00 0.00 56.01 54.71 1ub7 n LEU 260 Cb 0.06 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1ub7 n LEU 260 CO 0.00 0.28 0.04 0.61 -1.33 0.00 0.00 177.39 177.00 1ub7 n GLY 261 N -0.15 -0.85 3.15 -0.72 0.00 0.82 -5.03 105.19 102.42 1ub7 n GLY 261 Ca 0.00 0.42 -0.23 0.00 0.00 0.00 0.00 46.02 46.21 1ub7 n GLY 261 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub7 s LEU 262 N -5.40 2.09 0.15 0.99 1.43 -1.15 -5.05 118.68 111.75 1ub7 s LEU 262 Ca 0.33 -0.36 -0.18 0.00 -1.03 0.00 0.00 54.13 52.88 1ub7 s LEU 262 Cb -0.04 -0.77 -0.07 0.00 0.03 0.00 0.00 46.19 45.34 1ub7 s LEU 262 CO 0.68 0.14 0.63 -2.16 0.23 0.00 0.00 176.35 175.88 1ub7 s PRO 263 N -0.69 4.18 0.55 1.29 0.04 -1.26 -4.64 135.00 134.48 1ub7 s PRO 263 Ca 0.05 0.74 0.22 0.00 0.04 0.00 0.00 61.00 62.05 1ub7 s PRO 263 Cb -0.07 -3.02 1.20 0.00 0.04 0.00 0.00 34.50 32.65 1ub7 s PRO 263 CO 0.00 0.50 1.64 -1.49 0.04 0.00 0.00 177.00 177.69 1ub7 h TRP 264 N 3.83 0.00 0.00 0.56 4.06 -2.01 -0.10 115.95 122.30 1ub7 h TRP 264 Ca -0.48 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.43 1ub7 h TRP 264 Cb 1.20 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.35 1ub7 h TRP 264 CO 0.65 0.00 -0.16 1.05 -3.56 0.00 0.00 178.44 176.42 1ub7 h GLU 265 N 0.00 0.00 -0.54 0.49 4.11 -2.00 -2.85 114.58 113.80 1ub7 h GLU 265 Ca 0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 1ub7 h GLU 265 Cb 0.75 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.93 1ub7 h GLU 265 CO 0.00 0.16 0.11 0.54 0.07 0.00 0.00 179.01 179.90 1ub7 n ARG 266 N -3.35 3.49 -4.04 1.06 1.74 -0.05 -4.90 116.66 110.61 1ub7 n ARG 266 Ca 0.00 -3.05 -0.18 0.00 -0.77 0.00 0.00 57.85 53.85 1ub7 n ARG 266 Cb 0.38 -2.08 -0.16 0.00 -1.02 0.00 0.00 32.46 29.58 1ub7 n ARG 266 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ub7 s VAL 267 N -2.95 0.33 -0.02 1.55 1.01 -1.08 -0.29 120.40 118.95 1ub7 s VAL 267 Ca 0.50 -0.02 -0.22 0.00 0.00 0.00 0.00 61.98 62.24 1ub7 s VAL 267 Cb 0.41 -0.38 -0.05 0.00 0.00 0.00 0.00 36.38 36.36 1ub7 s VAL 267 CO 0.11 0.17 0.66 0.00 0.00 0.00 0.00 175.10 176.04 1ub7 s ALA 268 N 0.86 3.41 0.02 5.51 0.00 -0.26 -4.94 121.76 126.35 1ub7 s ALA 268 Ca -0.10 0.11 0.01 0.00 0.00 0.00 0.00 51.96 51.98 1ub7 s ALA 268 Cb -0.13 -2.87 -0.01 0.00 0.00 0.00 0.00 23.12 20.11 1ub7 s ALA 268 CO -0.01 0.04 -0.04 0.08 0.00 0.00 0.00 175.76 175.83 1ub7 s VAL 269 N 0.23 0.29 0.00 0.00 1.01 -1.26 -4.56 120.40 116.10 1ub7 s VAL 269 Ca 0.35 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1ub7 s VAL 269 Cb -0.18 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.87 1ub7 s VAL 269 CO 0.18 -0.18 0.00 -0.46 0.00 0.00 0.00 175.10 174.64 1ub7 n ASN 270 N 2.27 0.00 0.32 3.32 2.04 -1.26 -4.92 115.26 117.03 1ub7 n ASN 270 Ca -0.18 -0.68 0.19 0.00 -0.44 0.00 0.00 54.58 53.47 1ub7 n ASN 270 Cb 0.57 0.00 1.02 0.00 -2.53 0.00 0.00 39.78 38.84 1ub7 n ASN 270 CO 0.00 0.00 0.00 1.62 -0.44 0.00 0.00 177.26 178.44 1ub7 h VAL 271 N 0.76 0.06 -0.05 3.53 3.04 -1.87 0.20 116.25 121.92 1ub7 h VAL 271 Ca 0.00 0.00 -0.12 0.00 -1.01 0.00 0.00 66.70 65.57 1ub7 h VAL 271 Cb 0.36 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.47 1ub7 h VAL 271 CO 0.00 0.00 -0.51 -2.24 -1.01 0.00 0.00 177.57 173.81 1ub7 h ASP 272 N 0.00 0.13 0.00 3.17 2.03 -1.87 -1.45 116.42 118.44 1ub7 h ASP 272 Ca 0.01 -0.07 -0.01 0.00 -0.73 0.00 0.00 57.03 56.23 1ub7 h ASP 272 Cb 0.32 -0.04 -0.00 0.00 -0.83 0.00 0.00 39.33 38.78 1ub7 h ASP 272 CO -0.00 0.62 -1.86 0.54 -1.03 0.00 0.00 179.24 177.51 1ub7 n ARG 273 N -3.93 0.59 0.00 4.15 1.74 0.60 -1.20 116.66 118.60 1ub7 n ARG 273 Ca -0.02 -0.16 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 1ub7 n ARG 273 Cb 0.54 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 1ub7 n ARG 273 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1ub7 n TYR 274 N -2.17 0.00 -4.36 -1.55 4.01 -0.61 -3.55 117.16 108.94 1ub7 n TYR 274 Ca -0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.70 1ub7 n TYR 274 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.54 1ub7 n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1ub7 n GLY 275 N 0.53 -0.76 3.47 2.72 0.00 -0.55 -3.78 105.19 106.82 1ub7 n GLY 275 Ca 0.00 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 1ub7 n GLY 275 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ub7 s ASN 276 N -4.00 6.24 -0.14 1.61 3.84 0.35 -4.60 114.94 118.24 1ub7 s ASN 276 Ca 0.00 -0.79 0.11 0.00 0.21 0.00 0.00 52.86 52.39 1ub7 s ASN 276 Cb 0.00 -2.38 0.56 0.00 -0.55 0.00 0.00 41.25 38.88 1ub7 s ASN 276 CO 0.00 -1.21 1.39 0.35 -2.79 0.00 0.00 177.10 174.84 1ub7 n THR 277 N 5.91 1.73 0.00 -5.21 -2.24 -1.24 -1.54 114.28 111.70 1ub7 n THR 277 Ca -0.03 -0.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 1ub7 n THR 277 Cb 0.46 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 1ub7 n THR 277 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1ub7 n SER 278 N 0.55 0.00 0.18 3.42 2.88 -1.26 -1.70 113.62 117.70 1ub7 n SER 278 Ca 0.19 0.00 0.17 0.00 -1.33 0.00 0.00 58.87 57.90 1ub7 n SER 278 Cb 0.84 0.00 0.80 0.00 -0.75 0.00 0.00 64.21 65.10 1ub7 n SER 278 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ub7 h THR 279 N 0.00 0.51 0.00 2.46 1.35 -1.89 -0.54 112.91 114.81 1ub7 h THR 279 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1ub7 h THR 279 Cb 0.00 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 67.24 1ub7 h THR 279 CO 0.00 0.00 -0.04 0.00 -0.25 0.00 0.00 175.52 175.23 1ub7 n ALA 280 N -2.37 2.38 0.02 6.62 0.00 -0.69 -4.32 120.51 122.15 1ub7 n ALA 280 Ca 0.02 -0.08 -0.15 0.00 0.00 0.00 0.00 53.44 53.23 1ub7 n ALA 280 Cb 0.36 -1.45 -0.09 0.00 0.00 0.00 0.00 19.45 18.27 1ub7 n ALA 280 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ub7 h SER 281 N 0.00 -1.66 -0.41 0.00 0.87 -1.15 -0.86 113.55 110.34 1ub7 h SER 281 Ca 0.00 0.19 -0.07 0.00 -1.23 0.00 0.00 61.79 60.68 1ub7 h SER 281 Cb 0.61 0.64 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1ub7 h SER 281 CO 0.00 -0.49 -0.02 0.40 -0.53 0.00 0.00 176.83 176.19 1ub7 h ILE 282 N -0.61 1.26 -0.26 2.23 2.04 -1.78 -2.21 117.51 118.19 1ub7 h ILE 282 Ca 0.03 -1.05 -0.07 0.00 1.00 0.00 0.00 64.86 64.77 1ub7 h ILE 282 Cb 0.69 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1ub7 h ILE 282 CO -0.41 0.36 -0.13 1.55 0.00 0.00 0.00 178.15 179.52 1ub7 h PRO 283 N 0.56 0.43 -0.84 2.37 0.13 -1.76 0.82 132.00 133.70 1ub7 h PRO 283 Ca 0.11 -0.12 -0.00 0.00 -0.87 0.00 0.00 66.00 65.12 1ub7 h PRO 283 Cb 0.51 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 31.55 1ub7 h PRO 283 CO 0.02 0.56 0.52 -0.07 -0.23 0.00 0.00 178.00 178.80 1ub7 h LEU 284 N 0.40 1.01 -0.16 1.56 3.38 -1.00 -2.07 115.31 118.42 1ub7 h LEU 284 Ca 0.08 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1ub7 h LEU 284 Cb 0.47 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1ub7 h LEU 284 CO 0.03 0.77 -0.19 0.00 0.09 0.00 0.00 178.44 179.14 1ub7 h ALA 285 N 1.28 0.24 -1.00 1.53 0.00 -0.88 -3.10 119.26 117.33 1ub7 h ALA 285 Ca 0.30 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.94 1ub7 h ALA 285 Cb -0.06 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 17.61 1ub7 h ALA 285 CO -0.06 0.16 0.65 -0.07 0.00 0.00 0.00 179.25 179.93 1ub7 h LEU 286 N 0.05 1.03 -0.21 0.00 3.38 -0.69 -1.73 115.31 117.14 1ub7 h LEU 286 Ca 0.02 0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.03 1ub7 h LEU 286 Cb 0.73 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1ub7 h LEU 286 CO 0.04 0.65 0.07 0.50 0.09 0.00 0.00 178.44 179.79 1ub7 h LYS 287 N 1.16 0.16 -0.63 1.13 3.64 -1.37 0.15 116.57 120.82 1ub7 h LYS 287 Ca 0.44 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.78 1ub7 h LYS 287 Cb 0.20 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1ub7 h LYS 287 CO -0.18 0.11 0.29 0.93 -2.27 0.00 0.00 179.45 178.33 1ub7 h GLU 288 N 0.17 0.91 -0.78 1.90 5.08 -1.36 -1.55 114.58 118.94 1ub7 h GLU 288 Ca 0.09 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.26 1ub7 h GLU 288 Cb 0.06 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 1ub7 h GLU 288 CO -0.10 0.74 0.31 0.00 -1.00 0.00 0.00 179.01 178.96 1ub7 h ALA 289 N 1.12 1.02 -0.05 3.43 0.00 -0.93 0.23 119.26 124.07 1ub7 h ALA 289 Ca 0.21 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1ub7 h ALA 289 Cb 0.14 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1ub7 h ALA 289 CO -0.02 0.65 0.02 0.28 0.00 0.00 0.00 179.25 180.17 1ub7 h VAL 290 N 1.14 1.14 0.00 0.00 2.07 -0.46 0.34 116.25 120.48 1ub7 h VAL 290 Ca 0.26 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 1ub7 h VAL 290 Cb 0.22 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.30 1ub7 h VAL 290 CO -0.02 0.11 -0.13 0.44 0.02 0.00 0.00 177.57 177.99 1ub7 h ASP 291 N -0.07 0.00 0.80 0.57 3.32 -0.98 -1.27 116.42 118.79 1ub7 h ASP 291 Ca 0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1ub7 h ASP 291 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 1ub7 h ASP 291 CO -0.00 0.13 -0.50 0.00 -1.72 0.00 0.00 179.24 177.15 1ub7 n ALA 292 N -2.30 3.02 -0.71 3.45 0.00 0.04 -4.93 120.51 119.08 1ub7 n ALA 292 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1ub7 n ALA 292 Cb 0.24 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.49 1ub7 n ALA 292 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 293 N 1.40 0.64 0.22 0.00 0.00 -0.48 -4.91 105.19 102.06 1ub7 n GLY 293 Ca 0.04 -0.06 0.14 0.00 0.00 0.00 0.00 46.02 46.15 1ub7 n GLY 293 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ub7 h ARG 294 N 1.73 0.00 -5.40 1.61 3.08 -1.19 -3.40 114.38 110.81 1ub7 h ARG 294 Ca 0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 1ub7 h ARG 294 Cb 0.00 0.00 -0.32 0.00 0.08 0.00 0.00 29.97 29.73 1ub7 h ARG 294 CO 0.00 0.00 -0.87 0.42 -1.07 0.00 0.00 179.97 178.45 1ub7 s ILE 295 N -3.38 1.86 0.06 2.04 1.01 -0.96 -4.79 121.20 117.05 1ub7 s ILE 295 Ca 0.05 -0.92 -0.08 0.00 0.00 0.00 0.00 60.65 59.70 1ub7 s ILE 295 Cb 0.08 -1.61 -0.00 0.00 0.01 0.00 0.00 42.46 40.94 1ub7 s ILE 295 CO 0.59 0.52 0.16 -0.13 0.00 0.00 0.00 174.94 176.08 1ub7 s ARG 296 N 0.22 0.75 0.05 2.79 0.52 -1.26 -4.51 118.95 117.52 1ub7 s ARG 296 Ca -0.13 -0.86 -0.37 0.00 -0.52 0.00 0.00 55.73 53.86 1ub7 s ARG 296 Cb -0.16 0.30 -0.16 0.00 0.52 0.00 0.00 34.95 35.45 1ub7 s ARG 296 CO 0.06 -0.22 1.40 -1.91 0.02 0.00 0.00 175.30 174.65 1ub7 n GLU 297 N 0.27 1.21 0.00 3.54 2.13 -1.26 -1.00 120.64 125.52 1ub7 n GLU 297 Ca -0.17 0.44 0.00 0.00 0.66 0.00 0.00 57.16 58.09 1ub7 n GLU 297 Cb 0.61 -2.09 0.00 0.00 0.27 0.00 0.00 31.44 30.23 1ub7 n GLU 297 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1ub7 n GLY 298 N 2.74 3.12 3.81 8.31 0.00 -0.02 -4.95 105.19 118.20 1ub7 n GLY 298 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1ub7 n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ub7 s ASP 299 N -1.19 5.84 -0.33 1.61 1.01 -0.17 -4.72 116.67 118.71 1ub7 s ASP 299 Ca 0.00 1.79 -0.11 0.00 0.71 0.00 0.00 52.55 54.94 1ub7 s ASP 299 Cb 0.00 -2.53 -0.01 0.00 1.01 0.00 0.00 42.92 41.39 1ub7 s ASP 299 CO 0.00 -1.13 0.20 -1.00 0.21 0.00 0.00 175.17 173.45 1ub7 s HIS 300 N -2.48 3.21 -0.06 4.23 3.76 -1.26 -0.22 115.29 122.46 1ub7 s HIS 300 Ca 0.63 -0.38 0.01 0.00 -0.15 0.00 0.00 55.06 55.17 1ub7 s HIS 300 Cb -0.15 -2.43 -0.03 0.00 1.11 0.00 0.00 32.58 31.08 1ub7 s HIS 300 CO 0.37 -0.41 -0.08 0.08 -0.85 0.00 0.00 174.74 173.86 1ub7 s VAL 301 N 1.67 3.63 -0.11 -0.90 1.01 0.12 -1.10 120.40 124.72 1ub7 s VAL 301 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.53 1ub7 s VAL 301 Cb -0.17 -2.48 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 1ub7 s VAL 301 CO 0.09 0.59 -0.12 -0.22 0.00 0.00 0.00 175.10 175.44 1ub7 s LEU 302 N -0.81 2.78 -0.02 3.92 0.20 -0.86 -1.19 118.68 122.69 1ub7 s LEU 302 Ca 0.12 -0.27 0.06 0.00 0.69 0.00 0.00 54.13 54.73 1ub7 s LEU 302 Cb -0.11 -1.61 -0.03 0.00 -0.43 0.00 0.00 46.19 44.01 1ub7 s LEU 302 CO 0.01 0.21 -0.19 -0.76 -0.29 0.00 0.00 176.35 175.34 1ub7 s LEU 303 N 0.07 2.48 -0.16 -0.68 1.43 0.85 0.31 118.68 122.99 1ub7 s LEU 303 Ca -0.05 -0.33 -0.18 0.00 -1.03 0.00 0.00 54.13 52.54 1ub7 s LEU 303 Cb -0.14 -1.47 0.05 0.00 0.03 0.00 0.00 46.19 44.65 1ub7 s LEU 303 CO 0.04 0.32 0.49 0.54 0.23 0.00 0.00 176.35 177.97 1ub7 s VAL 304 N -0.73 0.01 0.09 -1.59 0.11 -0.96 0.38 120.40 117.71 1ub7 s VAL 304 Ca 0.12 -0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 58.95 1ub7 s VAL 304 Cb -0.10 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 34.07 1ub7 s VAL 304 CO 0.01 -0.03 0.40 -0.55 -3.33 0.00 0.00 175.10 171.60 1ub7 s SER 305 N -0.01 -0.24 0.08 3.54 0.15 0.15 -1.05 113.70 116.32 1ub7 s SER 305 Ca -0.02 -0.20 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 1ub7 s SER 305 Cb -0.03 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.68 1ub7 s SER 305 CO 0.02 -0.77 0.00 0.72 1.20 0.00 0.00 173.24 174.41 1ub7 s PHE 306 N -3.26 0.66 -2.00 3.44 -0.71 -1.26 -0.54 117.98 114.31 1ub7 s PHE 306 Ca -0.00 -1.14 0.00 0.00 -1.04 0.00 0.00 56.93 54.75 1ub7 s PHE 306 Cb 0.01 -0.43 0.00 0.00 -1.21 0.00 0.00 43.02 41.39 1ub7 s PHE 306 CO -0.08 -0.43 0.00 0.41 -1.34 0.00 0.00 175.22 173.77 1ub7 n GLY 307 N 0.03 -0.86 3.73 1.99 0.00 0.26 -4.27 105.19 106.06 1ub7 n GLY 307 Ca -0.10 -0.87 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1ub7 n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ub7 n ALA 308 N 0.00 1.38 0.00 4.61 0.00 -1.26 -1.91 120.51 123.33 1ub7 n ALA 308 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1ub7 n ALA 308 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.12 1ub7 n ALA 308 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ub7 n GLY 309 N 0.83 0.50 3.79 0.00 0.00 -1.26 -3.05 105.19 106.00 1ub7 n GLY 309 Ca 0.12 0.05 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1ub7 n GLY 309 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ub7 s LEU 310 N 0.00 3.76 0.02 0.99 1.43 0.11 -3.78 118.68 121.22 1ub7 s LEU 310 Ca 0.00 2.03 0.00 0.00 -1.03 0.00 0.00 54.13 55.13 1ub7 s LEU 310 Cb 0.00 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.63 1ub7 s LEU 310 CO 0.00 -1.03 -0.04 -0.89 0.23 0.00 0.00 176.35 174.63 1ub7 s THR 311 N -1.94 0.19 0.03 5.49 2.01 -0.80 0.78 115.64 121.40 1ub7 s THR 311 Ca 0.69 -0.93 -0.19 0.00 0.31 0.00 0.00 61.69 61.57 1ub7 s THR 311 Cb -0.20 -0.32 0.04 0.00 0.01 0.00 0.00 72.50 72.03 1ub7 s THR 311 CO 0.25 -0.47 0.44 -1.66 -0.69 0.00 0.00 174.62 172.49 1ub7 s TRP 312 N -1.42 -0.31 0.08 4.92 -2.14 -0.53 -0.58 118.94 118.96 1ub7 s TRP 312 Ca -0.15 0.34 -0.26 0.00 2.66 0.00 0.00 56.10 58.70 1ub7 s TRP 312 Cb -0.10 0.24 0.08 0.00 -3.10 0.00 0.00 33.47 30.59 1ub7 s TRP 312 CO -0.01 -0.56 0.68 0.00 -2.66 0.00 0.00 176.95 174.40 1ub7 s ALA 313 N -2.23 -1.68 -0.05 2.67 0.00 0.30 -0.90 121.76 119.87 1ub7 s ALA 313 Ca -0.07 0.79 -0.24 0.00 0.00 0.00 0.00 51.96 52.44 1ub7 s ALA 313 Cb -0.01 0.57 0.05 0.00 0.00 0.00 0.00 23.12 23.72 1ub7 s ALA 313 CO -0.00 -0.66 0.54 0.00 0.00 0.00 0.00 175.76 175.64 1ub7 s ALA 314 N -3.01 -1.39 0.02 0.00 0.00 0.11 0.32 121.76 117.80 1ub7 s ALA 314 Ca -0.01 1.00 -0.12 0.00 0.00 0.00 0.00 51.96 52.83 1ub7 s ALA 314 Cb -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 23.07 1ub7 s ALA 314 CO -0.07 -0.32 0.25 0.00 0.00 0.00 0.00 175.76 175.62 1ub7 s ALA 315 N -1.10 -0.57 -0.14 0.00 0.00 0.16 -0.28 121.76 119.83 1ub7 s ALA 315 Ca -0.11 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1ub7 s ALA 315 Cb -0.02 0.19 0.01 0.00 0.00 0.00 0.00 23.12 23.30 1ub7 s ALA 315 CO 0.07 -0.31 -0.20 0.08 0.00 0.00 0.00 175.76 175.40 1ub7 s VAL 316 N -1.93 1.94 -0.06 0.00 1.01 -1.01 -0.10 120.40 120.25 1ub7 s VAL 316 Ca -0.10 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1ub7 s VAL 316 Cb -0.04 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.64 1ub7 s VAL 316 CO 0.00 0.53 -0.07 -0.22 0.00 0.00 0.00 175.10 175.34 1ub7 s LEU 317 N 0.91 1.38 -0.52 3.92 2.96 -0.33 0.02 118.68 127.02 1ub7 s LEU 317 Ca -0.05 -0.19 -0.23 0.00 -0.22 0.00 0.00 54.13 53.43 1ub7 s LEU 317 Cb -0.15 -0.60 0.04 0.00 0.50 0.00 0.00 46.19 45.98 1ub7 s LEU 317 CO -0.03 -0.04 0.84 -0.89 -1.32 0.00 0.00 176.35 174.91 1ub7 s THR 318 N 0.96 4.54 0.54 3.68 2.01 0.94 -0.70 115.64 127.61 1ub7 s THR 318 Ca -0.10 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.85 1ub7 s THR 318 Cb -0.15 -4.45 -0.08 0.00 0.01 0.00 0.00 72.50 67.84 1ub7 s THR 318 CO 0.00 -0.97 0.74 1.87 -0.69 0.00 0.00 174.62 175.58 1ub7 n TRP 319 N 7.04 0.10 -4.01 4.92 -0.00 0.69 -0.93 117.44 125.26 1ub7 n TRP 319 Ca 0.00 0.47 0.00 0.00 -0.00 0.00 0.00 57.50 57.97 1ub7 n TRP 319 Cb 0.47 -2.06 0.00 0.00 -0.00 0.00 0.00 31.31 29.72 1ub7 n TRP 319 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 1ub7 n GLY 320 N 1.53 -0.04 2.54 5.87 0.00 -1.26 -0.84 105.19 112.99 1ub7 n GLY 320 Ca 0.12 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1ub7 n GLY 320 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ub7 n GLY 321 N 0.00 0.88 0.00 -0.02 0.00 -1.26 -4.43 105.19 100.35 1ub7 n GLY 321 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ub7 n GLY 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32