#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgs h SER 2 N 0.00 -0.08 0.00 1.61 0.87 -2.11 -3.49 113.55 110.35 1wgs h SER 2 Ca 0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1wgs h SER 2 Cb 0.00 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 1wgs h SER 2 CO 0.00 0.48 0.00 -1.54 -0.53 0.00 0.00 176.83 175.24 1wgs n SER 3 N -4.82 0.00 -0.35 6.23 3.41 -1.26 -5.16 113.62 111.67 1wgs n SER 3 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 1wgs n SER 3 Cb 0.11 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.06 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgs n GLY 4 N 0.00 0.10 3.72 5.00 0.00 -1.26 -4.59 105.19 108.16 1wgs n GLY 4 Ca 0.00 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.86 1wgs n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgs s SER 5 N -4.00 6.76 -0.22 1.61 0.01 -1.26 -5.05 113.70 111.55 1wgs s SER 5 Ca 0.00 0.91 -0.09 0.00 1.31 0.00 0.00 55.95 58.08 1wgs s SER 5 Cb 0.00 -2.32 0.09 0.00 0.21 0.00 0.00 66.02 64.00 1wgs s SER 5 CO 0.00 -0.02 0.49 -0.55 0.41 0.00 0.00 173.24 173.57 1wgs s SER 6 N 0.62 -0.57 -0.16 2.44 0.15 -1.26 -5.14 113.70 109.79 1wgs s SER 6 Ca 0.29 1.15 -0.04 0.00 0.70 0.00 0.00 55.95 58.04 1wgs s SER 6 Cb -0.16 1.42 0.07 0.00 -1.71 0.00 0.00 66.02 65.64 1wgs s SER 6 CO 0.12 -0.22 0.18 -0.83 1.20 0.00 0.00 173.24 173.70 1wgs s GLY 7 N 2.30 0.06 0.01 9.45 0.00 -1.26 -5.14 107.32 112.74 1wgs s GLY 7 Ca -0.05 0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.93 1wgs s GLY 7 CO -0.15 1.93 0.07 -1.83 0.00 0.00 0.00 173.10 173.13 1wgs s GLU 8 N 2.29 0.43 0.10 2.90 4.04 -1.26 -5.14 118.70 122.06 1wgs s GLU 8 Ca 0.05 -0.50 -0.30 0.00 0.04 0.00 0.00 54.97 54.25 1wgs s GLU 8 Cb -0.14 0.17 -0.06 0.00 0.02 0.00 0.00 34.13 34.12 1wgs s GLU 8 CO -0.09 -0.09 1.15 -1.25 -1.84 0.00 0.00 175.26 173.13 1wgs s PRO 9 N -1.49 4.49 0.08 -4.83 0.04 -1.26 -4.96 135.00 127.08 1wgs s PRO 9 Ca -0.15 1.73 -0.21 0.00 0.04 0.00 0.00 61.00 62.42 1wgs s PRO 9 Cb -0.08 -3.33 -0.07 0.00 0.04 0.00 0.00 34.50 31.06 1wgs s PRO 9 CO 0.00 -0.13 1.35 1.49 0.04 0.00 0.00 177.00 179.75 1wgs h GLU 10 N 6.20 -0.23 0.00 4.56 4.81 -2.07 -3.43 114.58 124.42 1wgs h GLU 10 Ca -0.43 0.02 -0.50 0.00 -0.13 0.00 0.00 59.36 58.32 1wgs h GLU 10 Cb 1.21 0.05 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 1wgs h GLU 10 CO 0.78 -0.15 -0.26 1.55 -0.73 0.00 0.00 179.01 180.19 1wgs n VAL 11 N -4.40 0.00 -3.57 0.32 3.14 -1.26 -5.16 118.33 107.40 1wgs n VAL 11 Ca -0.02 -1.88 -0.13 0.00 -2.96 0.00 0.00 64.34 59.34 1wgs n VAL 11 Cb 0.21 -0.02 -0.06 0.00 -1.06 0.00 0.00 33.84 32.91 1wgs n VAL 11 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1wgs s THR 12 N -2.36 0.00 0.01 1.55 2.01 -1.26 -5.17 115.64 110.42 1wgs s THR 12 Ca 0.23 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.30 1wgs s THR 12 Cb -0.02 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.47 1wgs s THR 12 CO 0.14 0.00 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.16 1wgs s VAL 13 N -0.90 2.40 0.04 3.82 1.01 -1.26 -5.07 120.40 120.45 1wgs s VAL 13 Ca -0.04 -1.14 0.09 0.00 0.00 0.00 0.00 61.98 60.88 1wgs s VAL 13 Cb -0.01 -1.92 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 1wgs s VAL 13 CO 0.04 0.47 -0.24 -1.61 0.00 0.00 0.00 175.10 173.75 1wgs s GLU 14 N -0.98 1.88 0.44 2.72 2.02 -1.26 -5.12 118.70 118.39 1wgs s GLU 14 Ca 0.12 -1.07 -0.10 0.00 0.02 0.00 0.00 54.97 53.93 1wgs s GLU 14 Cb -0.10 -2.03 -0.06 0.00 0.10 0.00 0.00 34.13 32.04 1wgs s GLU 14 CO 0.01 0.52 0.81 0.42 0.02 0.00 0.00 175.26 177.04 1wgs s ILE 15 N -0.83 4.79 0.00 -1.63 -1.09 -1.26 -3.91 121.20 117.27 1wgs s ILE 15 Ca 0.12 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.14 1wgs s ILE 15 Cb -0.10 -3.77 0.00 0.00 -1.58 0.00 0.00 42.46 37.01 1wgs s ILE 15 CO 0.03 -0.64 0.00 0.61 -1.23 0.00 0.00 174.94 173.71 1wgs n GLY 16 N -1.60 2.64 3.89 6.18 0.00 -0.71 -5.00 105.19 110.60 1wgs n GLY 16 Ca 0.03 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N 0.00 3.02 -0.04 1.61 2.02 -1.25 -4.76 118.70 119.31 1wgs s GLU 17 Ca 0.00 0.35 0.01 0.00 0.02 0.00 0.00 54.97 55.35 1wgs s GLU 17 Cb 0.00 -2.13 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 1wgs s GLU 17 CO 0.00 -0.82 -0.03 0.99 0.02 0.00 0.00 175.26 175.42 1wgs s THR 18 N -3.19 3.97 0.14 3.63 2.01 -1.26 -1.22 115.64 119.72 1wgs s THR 18 Ca 0.56 -0.53 0.02 0.00 0.31 0.00 0.00 61.69 62.05 1wgs s THR 18 Cb -0.11 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.66 1wgs s THR 18 CO 0.50 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.57 1wgs s TYR 19 N -0.95 1.10 -0.40 4.92 1.51 0.60 -4.93 117.35 119.21 1wgs s TYR 19 Ca 0.16 -0.95 -0.24 0.00 -1.01 0.00 0.00 57.07 55.03 1wgs s TYR 19 Cb -0.11 -0.62 0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1wgs s TYR 19 CO 0.06 -0.15 0.83 -0.51 -1.11 0.00 0.00 175.55 174.67 1wgs s LEU 20 N -3.12 4.10 -0.05 -1.29 2.01 -1.26 0.15 118.68 119.22 1wgs s LEU 20 Ca 0.19 0.28 -0.04 0.00 0.01 0.00 0.00 54.13 54.57 1wgs s LEU 20 Cb 0.05 -3.09 -0.04 0.00 0.01 0.00 0.00 46.19 43.12 1wgs s LEU 20 CO 0.00 -0.84 0.15 0.00 1.01 0.00 0.00 176.35 176.68 1wgs s ARG 22 N -1.59 4.28 -0.14 0.00 3.52 -0.46 -1.74 118.95 122.82 1wgs s ARG 22 Ca 0.22 2.30 -0.04 0.00 -0.13 0.00 0.00 55.73 58.09 1wgs s ARG 22 Cb -0.12 -3.09 0.06 0.00 -1.56 0.00 0.00 34.95 30.23 1wgs s ARG 22 CO 0.13 -0.38 0.12 1.03 -0.81 0.00 0.00 175.30 175.39 1wgs s ARG 23 N -0.80 0.05 -1.20 5.12 0.52 -1.15 -4.88 118.95 116.61 1wgs s ARG 23 Ca 0.57 0.15 -0.20 0.00 -0.52 0.00 0.00 55.73 55.73 1wgs s ARG 23 Cb -0.42 -1.25 -0.03 0.00 0.52 0.00 0.00 34.95 33.77 1wgs s ARG 23 CO 0.47 -0.55 1.91 -0.35 0.02 0.00 0.00 175.30 176.80 1wgs n PRO 24 N 5.30 2.33 0.00 3.54 -0.04 -1.26 -3.69 135.00 141.18 1wgs n PRO 24 Ca -0.06 -2.66 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 1wgs n PRO 24 Cb 0.49 -3.44 0.00 0.00 -0.04 0.00 0.00 33.50 30.51 1wgs n PRO 24 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wgs n ASP 25 N 9.81 0.00 0.00 3.54 8.00 -1.26 -5.04 116.55 131.61 1wgs n ASP 25 Ca 0.48 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.98 1wgs n ASP 25 Cb 0.44 0.17 0.00 0.00 -0.02 0.00 0.00 41.12 41.71 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wgs n SER 26 N -2.35 0.00 0.00 -2.24 7.64 -1.24 -5.16 113.62 110.27 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgs n SER 26 Cb 0.00 0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.40 1wgs n SER 26 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wgs n THR 27 N -2.03 0.00 -3.65 0.44 5.66 -1.25 -5.10 114.28 108.35 1wgs n THR 27 Ca 0.00 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.71 1wgs n THR 27 Cb 0.00 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 68.74 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wgs s TRP 28 N -0.63 3.48 0.06 1.09 0.52 -1.26 -2.92 118.94 119.29 1wgs s TRP 28 Ca 0.00 0.45 0.07 0.00 0.02 0.00 0.00 56.10 56.64 1wgs s TRP 28 Cb 0.00 -1.94 -0.03 0.00 -1.15 0.00 0.00 33.47 30.36 1wgs s TRP 28 CO 0.00 0.38 -0.18 -1.01 0.02 0.00 0.00 176.95 176.16 1wgs s HIS 29 N -1.81 1.56 -0.18 -1.98 3.76 -0.71 -4.93 115.29 110.99 1wgs s HIS 29 Ca 0.40 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 1wgs s HIS 29 Cb -0.11 -0.89 -0.02 0.00 1.11 0.00 0.00 32.58 32.67 1wgs s HIS 29 CO 0.27 0.11 1.32 -1.54 -0.85 0.00 0.00 174.74 174.06 1wgs s SER 30 N -1.48 6.84 -0.05 1.40 1.04 -1.26 -0.88 113.70 119.30 1wgs s SER 30 Ca 0.04 1.65 0.04 0.00 0.48 0.00 0.00 55.95 58.16 1wgs s SER 30 Cb -0.09 -2.54 -0.00 0.00 0.10 0.00 0.00 66.02 63.49 1wgs s SER 30 CO 0.02 -0.86 -0.18 0.00 0.98 0.00 0.00 173.24 173.21 1wgs s ALA 31 N 3.80 1.61 0.02 5.32 0.00 0.12 -3.48 121.76 129.14 1wgs s ALA 31 Ca 0.58 -0.71 -0.26 0.00 0.00 0.00 0.00 51.96 51.57 1wgs s ALA 31 Cb -0.22 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.29 1wgs s ALA 31 CO 0.18 0.27 0.80 -1.83 0.00 0.00 0.00 175.76 175.18 1wgs s GLU 32 N 0.14 4.51 -0.63 0.00 -1.05 0.13 -0.29 118.70 121.51 1wgs s GLU 32 Ca -0.07 1.11 -0.28 0.00 -0.15 0.00 0.00 54.97 55.58 1wgs s GLU 32 Cb -0.13 -3.40 0.02 0.00 -0.44 0.00 0.00 34.13 30.18 1wgs s GLU 32 CO 0.03 0.17 1.30 0.08 0.95 0.00 0.00 175.26 177.79 1wgs s VAL 33 N 0.32 3.84 0.02 1.83 1.01 -0.36 0.15 120.40 127.21 1wgs s VAL 33 Ca 0.41 0.66 -0.29 0.00 0.00 0.00 0.00 61.98 62.76 1wgs s VAL 33 Cb -0.20 -4.70 -0.16 0.00 0.00 0.00 0.00 36.38 31.32 1wgs s VAL 33 CO 0.23 -1.47 1.18 0.40 0.00 0.00 0.00 175.10 175.44 1wgs h ILE 34 N 6.19 0.00 -2.48 2.22 1.08 0.79 -1.89 117.51 123.42 1wgs h ILE 34 Ca -0.26 -0.25 -0.05 0.00 -0.39 0.00 0.00 64.86 63.91 1wgs h ILE 34 Cb 1.07 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 1wgs h ILE 34 CO 1.22 0.00 0.02 0.00 -0.69 0.00 0.00 178.15 178.70 1wgs n GLN 35 N -5.46 0.30 -4.20 2.37 1.13 -1.23 -4.53 117.38 105.76 1wgs n GLN 35 Ca -0.13 -0.81 -0.15 0.00 -1.94 0.00 0.00 57.00 53.97 1wgs n GLN 35 Cb 0.41 0.88 -0.11 0.00 0.11 0.00 0.00 30.24 31.53 1wgs n GLN 35 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1wgs s SER 36 N -1.68 1.63 0.12 1.08 1.04 -1.26 -1.61 113.70 113.02 1wgs s SER 36 Ca 0.07 -0.82 -0.17 0.00 0.48 0.00 0.00 55.95 55.51 1wgs s SER 36 Cb -0.01 -0.02 0.04 0.00 0.10 0.00 0.00 66.02 66.13 1wgs s SER 36 CO 0.05 -0.23 0.43 0.00 0.98 0.00 0.00 173.24 174.47 1wgs s ARG 37 N -2.81 1.09 0.01 4.02 1.70 -1.04 -4.98 118.95 116.94 1wgs s ARG 37 Ca 0.07 -0.65 0.08 0.00 -0.47 0.00 0.00 55.73 54.75 1wgs s ARG 37 Cb -0.03 0.48 -0.02 0.00 -0.57 0.00 0.00 34.95 34.81 1wgs s ARG 37 CO 0.01 -0.43 -0.23 0.08 -1.08 0.00 0.00 175.30 173.65 1wgs s VAL 38 N -3.71 1.86 -0.33 4.99 1.01 -1.26 -1.96 120.40 121.01 1wgs s VAL 38 Ca 0.02 -1.14 -0.08 0.00 0.00 0.00 0.00 61.98 60.78 1wgs s VAL 38 Cb 0.01 -1.58 0.02 0.00 0.00 0.00 0.00 36.38 34.83 1wgs s VAL 38 CO -0.11 0.40 0.13 0.20 0.00 0.00 0.00 175.10 175.71 1wgs s ASN 39 N -0.88 5.38 0.08 3.32 -0.87 0.37 -4.94 114.94 117.39 1wgs s ASN 39 Ca 0.09 -0.83 -0.08 0.00 -1.57 0.00 0.00 52.86 50.48 1wgs s ASN 39 Cb -0.09 -1.93 -0.26 0.00 -0.02 0.00 0.00 41.25 38.94 1wgs s ASN 39 CO 0.01 -0.26 1.14 -0.78 -2.57 0.00 0.00 177.10 174.63 1wgs h ASP 40 N 8.30 0.58 0.74 -1.22 3.58 -1.95 0.63 116.42 127.06 1wgs h ASP 40 Ca -0.28 -0.57 -0.03 0.00 0.42 0.00 0.00 57.03 56.56 1wgs h ASP 40 Cb 1.12 -0.18 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1wgs h ASP 40 CO 0.62 1.43 -0.39 1.56 -2.88 0.00 0.00 179.24 179.58 1wgs h GLN 41 N 0.14 -1.00 0.13 0.28 4.20 -1.97 -3.22 115.11 113.68 1wgs h GLN 41 Ca -0.15 0.07 -0.30 0.00 0.06 0.00 0.00 58.65 58.32 1wgs h GLN 41 Cb 1.93 0.23 0.03 0.00 0.30 0.00 0.00 27.48 29.97 1wgs h GLN 41 CO 0.21 -0.67 -1.27 0.93 -0.67 0.00 0.00 178.83 177.36 1wgs h GLU 42 N -1.04 0.61 -1.42 1.46 4.39 -1.99 -3.48 114.58 113.10 1wgs h GLU 42 Ca -0.10 -0.84 0.00 0.00 0.34 0.00 0.00 59.36 58.76 1wgs h GLU 42 Cb 0.81 0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1wgs h GLU 42 CO 0.14 1.39 0.00 0.41 -1.16 0.00 0.00 179.01 179.79 1wgs n GLY 43 N 1.41 0.53 3.45 -3.84 0.00 0.21 -5.09 105.19 101.87 1wgs n GLY 43 Ca -0.14 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.43 1wgs n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1wgs s ARG 44 N -2.35 1.48 0.17 1.61 1.70 -0.75 -4.98 118.95 115.83 1wgs s ARG 44 Ca 0.00 -1.44 0.07 0.00 -0.47 0.00 0.00 55.73 53.89 1wgs s ARG 44 Cb 0.00 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.74 1wgs s ARG 44 CO 0.00 -0.58 0.03 -1.21 -1.08 0.00 0.00 175.30 172.46 1wgs s GLU 45 N -3.94 2.53 0.22 3.89 2.02 -1.26 -0.48 118.70 121.68 1wgs s GLU 45 Ca 0.29 -1.03 -0.10 0.00 0.02 0.00 0.00 54.97 54.14 1wgs s GLU 45 Cb 0.02 -2.44 -0.01 0.00 0.10 0.00 0.00 34.13 31.80 1wgs s GLU 45 CO 0.12 0.47 0.38 -1.21 0.02 0.00 0.00 175.26 175.03 1wgs s GLU 46 N -2.94 1.39 -0.14 1.61 2.02 -0.83 -4.58 118.70 115.24 1wgs s GLU 46 Ca 0.28 -1.28 -0.06 0.00 0.02 0.00 0.00 54.97 53.93 1wgs s GLU 46 Cb -0.10 0.42 0.06 0.00 0.10 0.00 0.00 34.13 34.62 1wgs s GLU 46 CO 0.20 -0.55 0.30 -0.06 0.02 0.00 0.00 175.26 175.17 1wgs s PHE 47 N -4.03 -0.49 -0.81 1.61 0.08 0.08 -2.51 117.98 111.92 1wgs s PHE 47 Ca 0.24 1.06 -0.25 0.00 0.12 0.00 0.00 56.93 58.10 1wgs s PHE 47 Cb 0.02 0.08 -0.01 0.00 -0.57 0.00 0.00 43.02 42.53 1wgs s PHE 47 CO 0.07 -0.35 1.75 -0.47 -0.10 0.00 0.00 175.22 176.12 1wgs s TYR 48 N 2.07 1.94 -0.08 0.36 5.04 -0.64 -0.63 117.35 125.42 1wgs s TYR 48 Ca -0.03 0.35 -0.13 0.00 -2.44 0.00 0.00 57.07 54.82 1wgs s TYR 48 Cb -0.11 -4.24 -0.05 0.00 0.35 0.00 0.00 41.96 37.90 1wgs s TYR 48 CO -0.10 -2.00 0.31 0.14 -1.34 0.00 0.00 175.55 172.56 1wgs s VAL 49 N 8.35 5.24 -0.23 3.14 -7.23 -1.19 0.13 120.40 128.60 1wgs s VAL 49 Ca 0.61 0.60 -0.07 0.00 -1.81 0.00 0.00 61.98 61.31 1wgs s VAL 49 Cb -0.08 -3.62 -0.03 0.00 0.56 0.00 0.00 36.38 33.22 1wgs s VAL 49 CO 0.07 0.52 0.06 -2.28 -0.31 0.00 0.00 175.10 173.15 1wgs s HIS 50 N -0.50 3.10 -1.02 2.82 2.46 0.39 -3.26 115.29 119.27 1wgs s HIS 50 Ca 0.19 -0.35 -0.22 0.00 0.47 0.00 0.00 55.06 55.15 1wgs s HIS 50 Cb -0.14 -2.19 0.06 0.00 -0.13 0.00 0.00 32.58 30.18 1wgs s HIS 50 CO 0.08 -0.26 1.43 0.71 -2.47 0.00 0.00 174.74 174.23 1wgs s TYR 51 N 1.32 2.60 -0.45 3.88 2.02 -1.26 0.21 117.35 125.67 1wgs s TYR 51 Ca 0.05 -0.92 -0.27 0.00 -0.37 0.00 0.00 57.07 55.56 1wgs s TYR 51 Cb -0.15 -4.66 -0.07 0.00 -0.40 0.00 0.00 41.96 36.68 1wgs s TYR 51 CO 0.03 -1.89 2.39 1.33 -1.57 0.00 0.00 175.55 175.84 1wgs n VAL 52 N 6.74 -0.00 0.00 0.71 0.24 -1.23 -2.04 118.33 122.75 1wgs n VAL 52 Ca 0.33 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 1wgs n VAL 52 Cb 0.51 -2.71 0.00 0.00 -1.47 0.00 0.00 33.84 30.17 1wgs n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgs n GLY 53 N 5.98 2.93 2.52 7.63 0.00 -1.26 -4.94 105.19 118.05 1wgs n GLY 53 Ca 0.36 -0.39 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1wgs n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgs n PHE 54 N 0.00 -3.54 -0.02 1.61 3.72 -0.86 -5.08 117.46 113.29 1wgs n PHE 54 Ca 0.00 -0.96 -0.02 0.00 -0.05 0.00 0.00 57.45 56.42 1wgs n PHE 54 Cb 0.00 -0.57 0.02 0.00 -0.94 0.00 0.00 39.48 37.99 1wgs n PHE 54 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1wgs n ASN 55 N -3.25 -2.15 -0.01 4.37 2.85 -1.26 -4.95 115.26 110.86 1wgs n ASN 55 Ca 0.11 -0.07 -0.07 0.00 -0.11 0.00 0.00 54.58 54.45 1wgs n ASN 55 Cb 0.38 -0.08 -0.13 0.00 1.24 0.00 0.00 39.78 41.20 1wgs n ASN 55 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 1wgs n ARG 56 N -2.27 0.63 -0.16 1.20 1.74 -1.26 -3.99 116.66 112.56 1wgs n ARG 56 Ca 0.01 0.26 0.13 0.00 -0.77 0.00 0.00 57.85 57.48 1wgs n ARG 56 Cb 0.05 -1.78 0.47 0.00 -1.02 0.00 0.00 32.46 30.18 1wgs n ARG 56 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1wgs h ARG 57 N 0.00 0.47 -0.58 5.56 -0.00 -2.01 -0.72 114.38 117.10 1wgs h ARG 57 Ca -0.27 -0.03 0.12 0.00 -0.00 0.00 0.00 59.98 59.80 1wgs h ARG 57 Cb 1.92 -0.11 -0.10 0.00 -0.00 0.00 0.00 29.97 31.69 1wgs h ARG 57 CO 0.07 0.31 -0.01 -0.07 -0.00 0.00 0.00 179.97 180.27 1wgs h LEU 58 N 0.48 -0.28 -8.01 0.08 -0.00 -1.93 -3.39 115.31 102.26 1wgs h LEU 58 Ca 0.35 0.14 -0.55 0.00 -0.00 0.00 0.00 57.88 57.83 1wgs h LEU 58 Cb 0.71 0.26 -0.08 0.00 -0.00 0.00 0.00 40.66 41.55 1wgs h LEU 58 CO -0.12 -0.11 1.68 0.47 -0.00 0.00 0.00 178.44 180.36 1wgs n ASP 59 N -5.27 0.40 -3.89 -0.43 8.00 -0.28 -4.84 116.55 110.23 1wgs n ASP 59 Ca 0.08 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.73 1wgs n ASP 59 Cb 0.32 -0.92 -0.10 0.00 -0.02 0.00 0.00 41.12 40.40 1wgs n ASP 59 CO 0.00 0.00 0.00 -1.83 -0.39 0.00 0.00 177.20 174.98 1wgs s GLU 60 N 8.45 0.49 0.32 -1.24 -1.05 -1.20 -5.00 118.70 119.48 1wgs s GLU 60 Ca 1.33 -0.49 -0.29 0.00 -0.15 0.00 0.00 54.97 55.37 1wgs s GLU 60 Cb -1.29 0.20 -0.11 0.00 -0.44 0.00 0.00 34.13 32.49 1wgs s GLU 60 CO 0.52 -0.12 1.45 -1.58 0.95 0.00 0.00 175.26 176.48 1wgs s TRP 61 N -1.63 2.82 0.44 4.83 0.52 -1.26 -3.19 118.94 121.47 1wgs s TRP 61 Ca -0.13 1.14 0.03 0.00 0.02 0.00 0.00 56.10 57.16 1wgs s TRP 61 Cb -0.07 -3.90 -0.03 0.00 -1.15 0.00 0.00 33.47 28.32 1wgs s TRP 61 CO 0.00 -2.74 0.05 0.14 0.02 0.00 0.00 176.95 174.43 1wgs s VAL 62 N -0.70 1.10 0.15 4.03 -7.23 0.20 -4.85 120.40 113.10 1wgs s VAL 62 Ca 0.55 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.79 1wgs s VAL 62 Cb -0.44 -2.43 -0.04 0.00 0.56 0.00 0.00 36.38 34.03 1wgs s VAL 62 CO 0.54 0.00 -0.05 -1.81 -0.31 0.00 0.00 175.10 173.47 1wgs s ASP 63 N -3.71 4.58 0.22 4.85 1.01 -1.26 -0.75 116.67 121.61 1wgs s ASP 63 Ca 0.20 -0.42 -0.11 0.00 0.71 0.00 0.00 52.55 52.93 1wgs s ASP 63 Cb 0.04 -0.92 0.30 0.00 1.01 0.00 0.00 42.92 43.36 1wgs s ASP 63 CO 0.11 0.12 1.65 0.11 0.21 0.00 0.00 175.17 177.36 1wgs h LYS 64 N 3.02 0.07 -0.44 8.23 1.57 -1.92 0.29 116.57 127.38 1wgs h LYS 64 Ca -0.47 -0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.38 1wgs h LYS 64 Cb 1.19 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.42 1wgs h LYS 64 CO 0.56 0.05 0.06 -0.97 -0.57 0.00 0.00 179.45 178.58 1wgs h ASN 65 N 0.07 -0.05 -0.08 0.86 -0.73 -1.97 0.37 115.58 114.06 1wgs h ASN 65 Ca 0.33 0.08 0.02 0.00 1.87 0.00 0.00 56.30 58.61 1wgs h ASN 65 Cb 0.54 0.13 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 1wgs h ASN 65 CO -0.59 0.01 0.10 0.03 -0.37 0.00 0.00 177.43 176.61 1wgs h ARG 66 N 0.19 0.00 -7.07 6.67 3.08 -0.91 -3.41 114.38 112.93 1wgs h ARG 66 Ca 0.22 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.81 1wgs h ARG 66 Cb 0.29 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.41 1wgs h ARG 66 CO -0.30 0.00 0.08 -0.51 -1.07 0.00 0.00 179.97 178.17 1wgs s LEU 67 N -7.34 3.03 -0.32 3.04 1.43 0.13 -1.35 118.68 117.30 1wgs s LEU 67 Ca -0.05 -0.21 -0.01 0.00 -1.03 0.00 0.00 54.13 52.83 1wgs s LEU 67 Cb 0.15 -2.28 0.07 0.00 0.03 0.00 0.00 46.19 44.15 1wgs s LEU 67 CO 0.51 -1.68 0.04 0.00 0.23 0.00 0.00 176.35 175.45 1wgs s ALA 68 N -3.07 2.88 -0.41 4.21 0.00 -0.86 -4.62 121.76 119.89 1wgs s ALA 68 Ca 0.64 -2.00 -0.04 0.00 0.00 0.00 0.00 51.96 50.56 1wgs s ALA 68 Cb -0.07 -2.02 0.11 0.00 0.00 0.00 0.00 23.12 21.14 1wgs s ALA 68 CO 0.43 -1.42 0.21 -0.51 0.00 0.00 0.00 175.76 174.47 1wgs s LEU 69 N 1.19 5.25 0.00 0.00 1.43 -1.26 -4.65 118.68 120.64 1wgs s LEU 69 Ca -0.01 -1.98 0.00 0.00 -1.03 0.00 0.00 54.13 51.10 1wgs s LEU 69 Cb -0.20 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.17 1wgs s LEU 69 CO -0.03 -0.55 0.00 0.35 0.23 0.00 0.00 176.35 176.35 1wgs n THR 70 N 4.63 0.00 -3.25 5.49 -2.24 -1.26 -4.74 114.28 112.91 1wgs n THR 70 Ca -0.03 0.00 -0.17 0.00 -2.27 0.00 0.00 64.05 61.58 1wgs n THR 70 Cb 0.41 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.60 1wgs n THR 70 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 1wgs n LYS 71 N 0.00 -0.93 -0.93 -0.78 2.85 -1.26 -4.23 118.16 112.87 1wgs n LYS 71 Ca 0.00 0.05 0.11 0.00 -1.05 0.00 0.00 58.31 57.42 1wgs n LYS 71 Cb 0.00 -1.93 -0.03 0.00 -0.65 0.00 0.00 35.03 32.42 1wgs n LYS 71 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1wgs n THR 72 N -2.58 0.00 -0.66 0.58 -1.04 -1.26 -4.76 114.28 104.57 1wgs n THR 72 Ca -0.09 0.12 -0.24 0.00 -2.04 0.00 0.00 64.05 61.80 1wgs n THR 72 Cb 0.30 -0.41 0.13 0.00 -1.82 0.00 0.00 70.33 68.53 1wgs n THR 72 CO 0.00 0.00 0.00 0.55 -0.64 0.00 0.00 175.07 174.98 1wgs n VAL 73 N -2.96 0.00 -1.24 12.58 3.14 -1.26 -4.61 118.33 123.97 1wgs n VAL 73 Ca -0.01 -0.11 0.16 0.00 -2.96 0.00 0.00 64.34 61.42 1wgs n VAL 73 Cb 0.60 -0.41 -0.05 0.00 -1.06 0.00 0.00 33.84 32.92 1wgs n VAL 73 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 1wgs n LYS 74 N -0.93 -2.50 0.04 1.45 5.02 -1.26 -4.93 118.16 115.05 1wgs n LYS 74 Ca 0.03 1.75 0.00 0.00 -2.02 0.00 0.00 58.31 58.06 1wgs n LYS 74 Cb 0.48 -3.06 0.00 0.00 -0.02 0.00 0.00 35.03 32.43 1wgs n LYS 74 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1wgs n ASP 75 N -4.32 0.31 -3.15 4.39 -0.08 -1.26 -4.53 116.55 107.91 1wgs n ASP 75 Ca -0.01 0.13 0.05 0.00 -1.51 0.00 0.00 54.79 53.45 1wgs n ASP 75 Cb 0.65 -0.03 -0.00 0.00 2.34 0.00 0.00 41.12 44.07 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1wgs s ALA 76 N -2.00 -3.09 0.15 -1.67 0.00 -1.26 -5.02 121.76 108.87 1wgs s ALA 76 Ca 0.00 1.25 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 1wgs s ALA 76 Cb 0.00 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.54 1wgs s ALA 76 CO 0.00 -1.88 1.75 -0.24 0.00 0.00 0.00 175.76 175.39 1wgs h VAL 77 N 5.39 0.91 0.00 0.00 3.04 -1.97 -3.40 116.25 120.21 1wgs h VAL 77 Ca -0.06 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1wgs h VAL 77 Cb 1.18 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.07 1wgs h VAL 77 CO 0.05 0.05 -0.41 0.00 -1.01 0.00 0.00 177.57 176.24 1wgs n GLN 78 N -5.01 0.00 0.03 4.17 1.13 -1.26 -5.07 117.38 111.37 1wgs n GLN 78 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1wgs n GLN 78 Cb 0.12 -0.42 0.00 0.00 0.11 0.00 0.00 30.24 30.05 1wgs n GLN 78 CO 0.00 0.00 0.00 0.36 -1.44 0.00 0.00 177.06 175.98 1wgs n LYS 79 N -2.37 0.00 -3.48 -1.09 -0.00 -1.26 -5.10 118.16 104.85 1wgs n LYS 79 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.14 1wgs n LYS 79 Cb 0.21 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.11 1wgs n LYS 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1wgs s ASN 80 N -2.00 1.21 -0.10 -5.58 3.84 -1.26 -4.91 114.94 106.14 1wgs s ASN 80 Ca 0.00 -0.14 -0.19 0.00 0.21 0.00 0.00 52.86 52.74 1wgs s ASN 80 Cb 0.00 0.47 -0.04 0.00 -0.55 0.00 0.00 41.25 41.13 1wgs s ASN 80 CO 0.00 -0.32 0.51 -0.55 -2.79 0.00 0.00 177.10 173.95 1wgs s SER 81 N 2.35 6.75 0.03 -4.21 0.15 -1.26 -5.00 113.70 112.51 1wgs s SER 81 Ca 0.07 0.90 -0.27 0.00 0.70 0.00 0.00 55.95 57.35 1wgs s SER 81 Cb -0.16 -2.31 -0.15 0.00 -1.71 0.00 0.00 66.02 61.70 1wgs s SER 81 CO -0.12 0.00 1.23 -0.33 1.20 0.00 0.00 173.24 175.22 1wgs h GLU 82 N 6.57 -0.93 0.00 5.44 5.08 -2.06 -3.46 114.58 125.21 1wgs h GLU 82 Ca -0.42 0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.01 1wgs h GLU 82 Cb 1.18 0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1wgs h GLU 82 CO 0.75 -0.62 0.00 1.17 -1.00 0.00 0.00 179.01 179.30 1wgs n LYS 83 N -5.02 0.00 -1.17 2.33 4.81 -1.26 -5.16 118.16 112.69 1wgs n LYS 83 Ca -0.12 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.46 1wgs n LYS 83 Cb 0.38 -0.01 -0.05 0.00 0.02 0.00 0.00 35.03 35.37 1wgs n LYS 83 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 1wgs n TYR 84 N -2.62 -2.80 -3.40 5.64 9.36 -1.26 -4.89 117.16 117.20 1wgs n TYR 84 Ca 0.00 1.44 -0.29 0.00 3.32 0.00 0.00 57.90 62.36 1wgs n TYR 84 Cb 0.00 -2.54 0.03 0.00 -0.63 0.00 0.00 39.34 36.20 1wgs n TYR 84 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1wgs n LEU 85 N -3.56 -3.15 -4.98 2.98 7.94 -1.26 -4.96 117.00 110.00 1wgs n LEU 85 Ca -0.01 0.02 -0.20 0.00 -1.11 0.00 0.00 56.01 54.71 1wgs n LEU 85 Cb 0.63 -1.74 0.01 0.00 0.53 0.00 0.00 43.42 42.85 1wgs n LEU 85 CO 0.02 -0.48 0.20 -0.94 -1.11 0.00 0.00 177.39 175.07 1wgs s SER 86 N -1.45 5.70 -0.14 1.96 1.04 -1.26 -5.12 113.70 114.42 1wgs s SER 86 Ca 0.30 -0.11 -0.27 0.00 0.48 0.00 0.00 55.95 56.35 1wgs s SER 86 Cb -0.03 -1.05 0.07 0.00 0.10 0.00 0.00 66.02 65.10 1wgs s SER 86 CO 0.70 -0.74 0.66 -1.61 0.98 0.00 0.00 173.24 173.23 1wgs s GLU 87 N -4.44 0.91 0.99 4.02 2.02 -1.26 -5.15 118.70 115.80 1wgs s GLU 87 Ca 0.51 0.54 -0.17 0.00 0.02 0.00 0.00 54.97 55.87 1wgs s GLU 87 Cb -0.10 0.44 -0.08 0.00 0.10 0.00 0.00 34.13 34.49 1wgs s GLU 87 CO 0.35 -0.21 -0.45 1.47 0.02 0.00 0.00 175.26 176.43 1wgs n LEU 88 N 1.75 -3.57 0.00 1.80 -0.00 -1.26 -5.01 117.00 110.72 1wgs n LEU 88 Ca -0.17 0.18 -0.03 0.00 -0.00 0.00 0.00 56.01 55.99 1wgs n LEU 88 Cb 0.56 -0.89 -0.01 0.00 -0.00 0.00 0.00 43.42 43.09 1wgs n LEU 88 CO 0.15 -4.64 -0.02 0.00 -0.00 0.00 0.00 177.39 172.88 1wgs n ALA 89 N -3.12 0.08 -2.52 1.47 0.00 -1.26 -5.18 120.51 109.99 1wgs n ALA 89 Ca 0.01 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.16 1wgs n ALA 89 Cb 0.58 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1wgs n ALA 89 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1wgs n GLU 90 N -0.12 2.89 -4.41 0.00 2.13 -1.26 -5.15 120.64 114.72 1wgs n GLU 90 Ca -0.00 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.55 1wgs n GLU 90 Cb 0.09 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 31.68 1wgs n GLU 90 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1wgs s GLN 91 N 1.47 1.49 0.84 5.31 0.00 -1.26 -5.14 119.66 122.38 1wgs s GLN 91 Ca 0.00 -1.52 -0.12 0.00 -0.00 0.00 0.00 55.36 53.73 1wgs s GLN 91 Cb 0.00 -1.78 0.10 0.00 0.00 0.00 0.00 33.01 31.33 1wgs s GLN 91 CO 0.00 0.38 1.11 -1.25 0.00 0.00 0.00 175.29 175.54 1wgs s PRO 92 N -2.70 1.70 -0.44 9.60 0.04 -1.26 -4.88 135.00 137.06 1wgs s PRO 92 Ca 0.20 0.49 -0.31 0.00 0.04 0.00 0.00 61.00 61.43 1wgs s PRO 92 Cb -0.08 -1.89 -0.10 0.00 0.04 0.00 0.00 34.50 32.48 1wgs s PRO 92 CO 0.10 -1.86 2.33 0.39 0.04 0.00 0.00 177.00 178.00 1wgs n GLU 93 N -3.57 1.10 -1.26 4.56 1.02 -1.26 -4.85 120.64 116.38 1wgs n GLU 93 Ca 0.07 0.21 -0.38 0.00 -0.02 0.00 0.00 57.16 57.04 1wgs n GLU 93 Cb 0.57 -2.78 0.02 0.00 -0.02 0.00 0.00 31.44 29.23 1wgs n GLU 93 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1wgs n ARG 94 N 8.59 0.11 -0.79 3.49 1.85 -1.26 -4.85 116.66 123.80 1wgs n ARG 94 Ca 0.41 0.05 -0.34 0.00 -1.00 0.00 0.00 57.85 56.96 1wgs n ARG 94 Cb 0.34 -1.18 0.12 0.00 -1.05 0.00 0.00 32.46 30.69 1wgs n ARG 94 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1wgs n LYS 95 N 1.16 -1.01 0.00 2.89 4.01 -1.26 -4.96 118.16 118.99 1wgs n LYS 95 Ca 0.08 -0.28 0.00 0.00 -0.51 0.00 0.00 58.31 57.60 1wgs n LYS 95 Cb 0.48 -1.48 0.00 0.00 -0.51 0.00 0.00 35.03 33.52 1wgs n LYS 95 CO 0.00 0.00 0.00 -0.89 -1.11 0.00 0.00 177.40 175.40 1wgs n ILE 96 N -4.04 0.00 -3.86 -0.18 2.08 -1.26 -4.98 119.36 107.12 1wgs n ILE 96 Ca 0.00 0.00 -0.12 0.00 0.56 0.00 0.00 62.75 63.19 1wgs n ILE 96 Cb 0.65 -0.63 -0.13 0.00 -0.75 0.00 0.00 39.64 38.79 1wgs n ILE 96 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 1wgs s THR 97 N 0.00 0.01 0.20 1.39 -1.32 -1.26 -5.14 115.64 109.52 1wgs s THR 97 Ca 0.00 -0.10 -0.30 0.00 -1.21 0.00 0.00 61.69 60.08 1wgs s THR 97 Cb 0.00 -0.13 -0.08 0.00 -1.51 0.00 0.00 72.50 70.78 1wgs s THR 97 CO 0.00 -0.05 1.10 -0.13 -2.21 0.00 0.00 174.62 173.32 1wgs s ARG 98 N -0.14 4.61 0.14 7.08 0.52 -1.26 -5.04 118.95 124.86 1wgs s ARG 98 Ca -0.02 1.73 0.08 0.00 -0.52 0.00 0.00 55.73 57.00 1wgs s ARG 98 Cb -0.01 -3.26 -0.04 0.00 0.52 0.00 0.00 34.95 32.16 1wgs s ARG 98 CO 0.00 0.11 -0.08 1.21 0.02 0.00 0.00 175.30 176.56 1wgs s ASN 99 N -0.29 4.42 0.25 0.23 2.47 -1.26 -5.14 114.94 115.61 1wgs s ASN 99 Ca 0.48 -0.45 0.02 0.00 0.42 0.00 0.00 52.86 53.33 1wgs s ASN 99 Cb -0.30 -0.83 -0.05 0.00 -1.45 0.00 0.00 41.25 38.62 1wgs s ASN 99 CO 0.36 0.14 0.05 0.00 -3.72 0.00 0.00 177.10 173.93 1wgs s GLN 100 N -2.55 1.37 0.19 0.43 -2.07 -1.26 -5.17 119.66 110.60 1wgs s GLN 100 Ca 0.24 -1.72 0.04 0.00 -1.82 0.00 0.00 55.36 52.09 1wgs s GLN 100 Cb -0.10 -0.42 -0.05 0.00 -1.09 0.00 0.00 33.01 31.35 1wgs s GLN 100 CO 0.15 -0.21 -0.05 0.21 -1.32 0.00 0.00 175.29 174.07 1wgs s LYS 101 N -3.96 1.19 0.28 9.60 2.20 -1.26 -5.17 119.74 122.63 1wgs s LYS 101 Ca 0.33 -1.56 0.03 0.00 -0.36 0.00 0.00 55.97 54.41 1wgs s LYS 101 Cb 0.07 -0.61 -0.06 0.00 -1.51 0.00 0.00 37.83 35.72 1wgs s LYS 101 CO 0.11 -0.01 0.05 0.50 -0.36 0.00 0.00 175.35 175.64 1wgs s ARG 102 N -3.81 1.50 0.36 4.03 3.52 -1.26 -5.17 118.95 118.13 1wgs s ARG 102 Ca 0.23 -1.81 0.04 0.00 -0.13 0.00 0.00 55.73 54.05 1wgs s ARG 102 Cb 0.04 -0.64 -0.03 0.00 -1.56 0.00 0.00 34.95 32.76 1wgs s ARG 102 CO 0.05 -0.19 0.13 -1.59 -0.81 0.00 0.00 175.30 172.89 1wgs s LYS 103 N -3.92 1.78 0.22 5.12 -2.85 -1.26 -5.18 119.74 113.66 1wgs s LYS 103 Ca 0.35 -2.05 -0.07 0.00 -1.00 0.00 0.00 55.97 53.20 1wgs s LYS 103 Cb 0.08 -0.49 -0.02 0.00 -2.06 0.00 0.00 37.83 35.33 1wgs s LYS 103 CO 0.13 -0.42 0.30 -1.58 0.10 0.00 0.00 175.35 173.87 1wgs s HIS 104 N -3.34 0.79 0.17 1.78 2.46 -1.26 -5.18 115.29 110.70 1wgs s HIS 104 Ca 0.30 -1.07 -0.00 0.00 0.47 0.00 0.00 55.06 54.75 1wgs s HIS 104 Cb 0.04 -0.20 -0.04 0.00 -0.13 0.00 0.00 32.58 32.25 1wgs s HIS 104 CO 0.16 -0.81 0.07 -0.51 -2.47 0.00 0.00 174.74 171.17 1wgs s ASP 105 N -3.09 0.60 -0.01 9.88 1.11 -1.26 -5.17 116.67 118.72 1wgs s ASP 105 Ca 0.31 -1.27 0.03 0.00 0.18 0.00 0.00 52.55 51.81 1wgs s ASP 105 Cb 0.03 0.26 -0.01 0.00 1.07 0.00 0.00 42.92 44.27 1wgs s ASP 105 CO 0.11 -0.72 -0.11 -0.70 1.18 0.00 0.00 175.17 174.93 1wgs s GLU 106 N -4.04 0.98 0.98 8.23 2.12 -1.26 -5.15 118.70 120.56 1wgs s GLU 106 Ca 0.29 -0.40 -0.16 0.00 0.36 0.00 0.00 54.97 55.06 1wgs s GLU 106 Cb 0.07 -0.93 0.20 0.00 0.26 0.00 0.00 34.13 33.72 1wgs s GLU 106 CO 0.06 0.22 1.26 0.96 -0.54 0.00 0.00 175.26 177.22 1wgs s ILE 107 N -0.16 1.93 0.23 -3.70 -5.25 -1.26 -5.10 121.20 107.89 1wgs s ILE 107 Ca 0.03 0.00 -0.07 0.00 -0.99 0.00 0.00 60.65 59.61 1wgs s ILE 107 Cb -0.06 -2.89 -0.02 0.00 2.95 0.00 0.00 42.46 42.44 1wgs s ILE 107 CO -0.00 0.00 0.33 0.20 -1.79 0.00 0.00 174.94 173.68 1wgs s ASN 108 N -4.62 0.08 0.14 4.36 -0.87 -1.26 -5.18 114.94 107.59 1wgs s ASN 108 Ca 0.71 -1.16 -0.18 0.00 -1.57 0.00 0.00 52.86 50.66 1wgs s ASN 108 Cb -0.06 0.50 0.05 0.00 -0.02 0.00 0.00 41.25 41.72 1wgs s ASN 108 CO 0.53 -1.02 0.46 -2.28 -2.57 0.00 0.00 177.10 172.22 1wgs s HIS 109 N -4.02 -0.31 0.11 2.20 2.46 -1.26 -5.18 115.29 109.29 1wgs s HIS 109 Ca 0.30 0.03 0.01 0.00 0.47 0.00 0.00 55.06 55.87 1wgs s HIS 109 Cb 0.03 0.35 -0.04 0.00 -0.13 0.00 0.00 32.58 32.79 1wgs s HIS 109 CO 0.11 -0.75 -0.05 0.54 -2.47 0.00 0.00 174.74 172.12 1wgs s VAL 110 N -3.77 0.65 0.49 0.89 0.11 -1.26 -5.17 120.40 112.33 1wgs s VAL 110 Ca 0.02 -1.93 0.00 0.00 -2.93 0.00 0.00 61.98 57.14 1wgs s VAL 110 Cb 0.01 -1.74 0.00 0.00 -1.53 0.00 0.00 36.38 33.12 1wgs s VAL 110 CO -0.12 -0.82 0.02 0.00 -3.33 0.00 0.00 175.10 170.85 1wgs n GLN 111 N -0.06 0.82 -3.95 1.54 0.00 -1.26 -5.17 117.38 109.31 1wgs n GLN 111 Ca -0.11 -3.52 -0.09 0.00 0.00 0.00 0.00 57.00 53.27 1wgs n GLN 111 Cb 0.61 0.91 -0.06 0.00 0.00 0.00 0.00 30.24 31.71 1wgs n GLN 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1wgs s LYS 112 N -3.77 1.41 0.14 2.61 2.36 -1.26 -5.18 119.74 116.05 1wgs s LYS 112 Ca 0.01 -1.17 0.01 0.00 -2.55 0.00 0.00 55.97 52.27 1wgs s LYS 112 Cb -0.00 0.45 -0.00 0.00 -1.05 0.00 0.00 37.83 37.23 1wgs s LYS 112 CO 0.01 -0.57 0.17 -2.37 1.55 0.00 0.00 175.35 174.13 1wgs n THR 113 N -0.33 0.00 -3.65 3.43 5.66 -1.26 -5.18 114.28 112.95 1wgs n THR 113 Ca -0.05 -0.81 -0.02 0.00 -3.05 0.00 0.00 64.05 60.12 1wgs n THR 113 Cb 0.62 0.46 -0.05 0.00 -1.55 0.00 0.00 70.33 69.82 1wgs n THR 113 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1wgs s TYR 114 N -3.57 -0.02 -0.43 1.09 6.14 -1.26 -5.12 117.35 114.18 1wgs s TYR 114 Ca 0.13 0.05 0.02 0.00 0.64 0.00 0.00 57.07 57.91 1wgs s TYR 114 Cb 0.00 0.50 0.19 0.00 0.42 0.00 0.00 41.96 43.07 1wgs s TYR 114 CO 0.09 -0.02 0.83 0.00 0.64 0.00 0.00 175.55 177.10 1wgs s ALA 115 N -0.81 -3.03 -0.43 3.97 0.00 -1.26 -5.08 121.76 115.12 1wgs s ALA 115 Ca 0.09 0.20 0.04 0.00 0.00 0.00 0.00 51.96 52.30 1wgs s ALA 115 Cb -0.02 -2.83 0.17 0.00 0.00 0.00 0.00 23.12 20.45 1wgs s ALA 115 CO -0.10 -2.33 0.41 -1.21 0.00 0.00 0.00 175.76 172.53 1wgs s GLU 116 N 1.30 0.91 0.38 0.00 2.02 -1.26 -5.13 118.70 116.92 1wgs s GLU 116 Ca 0.23 -1.86 0.04 0.00 0.02 0.00 0.00 54.97 53.40 1wgs s GLU 116 Cb 0.02 -1.14 -0.05 0.00 0.10 0.00 0.00 34.13 33.07 1wgs s GLU 116 CO -0.08 -1.37 0.07 -1.64 0.02 0.00 0.00 175.26 172.26 1wgs s MET 117 N 0.28 1.82 -0.13 1.61 -1.94 -1.26 -5.17 119.30 114.51 1wgs s MET 117 Ca 0.31 -2.07 -0.16 0.00 -1.71 0.00 0.00 55.69 52.07 1wgs s MET 117 Cb 0.02 -0.90 0.04 0.00 2.01 0.00 0.00 34.83 36.00 1wgs s MET 117 CO -0.16 -0.29 0.43 0.16 -0.01 0.00 0.00 175.02 175.15 1wgs s ASP 118 N -3.58 -0.42 -0.03 3.03 1.47 -1.26 -5.09 116.67 110.79 1wgs s ASP 118 Ca 0.29 0.75 -0.04 0.00 1.18 0.00 0.00 52.55 54.72 1wgs s ASP 118 Cb 0.06 0.78 -0.02 0.00 -0.34 0.00 0.00 42.92 43.40 1wgs s ASP 118 CO 0.14 -0.22 0.31 1.55 0.68 0.00 0.00 175.17 177.63 1wgs h PRO 119 N 5.06 -0.15 -1.27 2.11 0.13 -2.09 -3.49 132.00 132.31 1wgs h PRO 119 Ca -0.27 0.01 0.15 0.00 -0.87 0.00 0.00 66.00 65.02 1wgs h PRO 119 Cb 1.18 0.03 -0.29 0.00 0.13 0.00 0.00 31.00 32.05 1wgs h PRO 119 CO 0.27 -0.10 0.74 -0.08 -0.23 0.00 0.00 178.00 178.60 1wgs s THR 120 N -2.01 0.00 0.26 1.56 -1.32 -1.26 -5.18 115.64 107.68 1wgs s THR 120 Ca -0.02 0.00 0.07 0.00 -1.21 0.00 0.00 61.69 60.53 1wgs s THR 120 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1wgs s THR 120 CO 0.07 0.00 -0.09 -0.89 -2.21 0.00 0.00 174.62 171.50 1wgs s THR 121 N -0.18 1.72 0.00 5.08 2.01 -1.26 -5.14 115.64 117.86 1wgs s THR 121 Ca 0.06 -2.16 0.00 0.00 0.31 0.00 0.00 61.69 59.89 1wgs s THR 121 Cb -0.04 -2.34 0.00 0.00 0.01 0.00 0.00 72.50 70.13 1wgs s THR 121 CO -0.10 -0.38 0.00 0.00 -0.69 0.00 0.00 174.62 173.45 1wgs n ALA 122 N -0.54 0.00 -2.67 7.40 0.00 -1.26 -5.18 120.51 118.26 1wgs n ALA 122 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.08 1wgs n ALA 122 Cb 0.62 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.00 1wgs n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgs s ALA 123 N -2.00 3.69 0.00 0.00 0.00 -1.26 -5.15 121.76 117.04 1wgs s ALA 123 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1wgs s ALA 123 Cb 0.00 0.28 0.00 0.00 0.00 0.00 0.00 23.12 23.40 1wgs s ALA 123 CO 0.00 -0.13 0.00 1.47 0.00 0.00 0.00 175.76 177.10 1wgs n LEU 124 N -1.14 0.00 -3.60 0.00 -0.00 -1.26 -5.15 117.00 105.85 1wgs n LEU 124 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.87 1wgs n LEU 124 Cb 0.66 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.07 1wgs n LEU 124 CO 0.37 0.00 1.18 -1.83 -0.00 0.00 0.00 177.39 177.12 1wgs s GLU 125 N 1.39 0.06 -0.08 1.47 4.04 -1.26 -5.16 118.70 119.16 1wgs s GLU 125 Ca 0.00 -0.03 -0.02 0.00 0.04 0.00 0.00 54.97 54.97 1wgs s GLU 125 Cb 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 34.13 34.14 1wgs s GLU 125 CO 0.00 -0.03 0.00 0.21 -1.84 0.00 0.00 175.26 173.61 1wgs s LYS 126 N -2.07 2.98 -0.04 -4.83 2.20 -1.26 -5.11 119.74 111.61 1wgs s LYS 126 Ca 0.13 -0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.33 1wgs s LYS 126 Cb 0.03 -2.79 0.02 0.00 -1.51 0.00 0.00 37.83 33.58 1wgs s LYS 126 CO -0.04 0.70 -0.03 -2.00 -0.36 0.00 0.00 175.35 173.62 1wgs s GLU 127 N -0.94 0.65 -0.03 4.03 2.56 -1.26 -5.14 118.70 118.57 1wgs s GLU 127 Ca 0.14 -0.03 -0.07 0.00 0.00 0.00 0.00 54.97 55.01 1wgs s GLU 127 Cb -0.11 -0.75 0.01 0.00 2.00 0.00 0.00 34.13 35.28 1wgs s GLU 127 CO 0.03 -0.12 0.17 -1.54 -0.56 0.00 0.00 175.26 173.24 1wgs s SER 128 N 1.06 -0.09 -0.30 -1.70 1.04 -1.26 -5.13 113.70 107.32 1wgs s SER 128 Ca -0.09 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.45 1wgs s SER 128 Cb -0.14 0.29 0.20 0.00 0.10 0.00 0.00 66.02 66.47 1wgs s SER 128 CO -0.01 -0.23 0.66 -0.83 0.98 0.00 0.00 173.24 173.82 1wgs s GLY 129 N -0.68 -1.22 0.12 7.32 0.00 -1.26 -5.17 107.32 106.44 1wgs s GLY 129 Ca -0.08 1.17 -0.02 0.00 0.00 0.00 0.00 44.72 45.80 1wgs s GLY 129 CO 0.01 3.76 0.14 -1.55 0.00 0.00 0.00 173.10 175.45 1wgs n PRO 130 N 5.31 -0.69 -4.23 2.90 -0.04 -1.26 -5.11 135.00 131.88 1wgs n PRO 130 Ca 0.06 -0.21 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 1wgs n PRO 130 Cb 0.55 -0.17 -0.10 0.00 -0.04 0.00 0.00 33.50 33.74 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgs s SER 131 N -1.69 0.54 0.35 3.54 1.04 -1.26 -5.18 113.70 111.03 1wgs s SER 131 Ca 0.08 -1.45 0.03 0.00 0.48 0.00 0.00 55.95 55.10 1wgs s SER 131 Cb -0.00 0.39 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 1wgs s SER 131 CO 0.06 -0.86 0.12 -0.44 0.98 0.00 0.00 173.24 173.09 1wgs s SER 132 N -3.22 2.23 0.00 7.02 0.01 -1.26 -5.38 113.70 113.10 1wgs s SER 132 Ca 0.39 -1.54 0.00 0.00 1.31 0.00 0.00 55.95 56.11 1wgs s SER 132 Cb 0.06 0.29 0.00 0.00 0.21 0.00 0.00 66.02 66.59 1wgs s SER 132 CO 0.15 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.59