#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgs s SER 2 N 0.00 5.72 -0.32 1.61 1.04 -1.26 -4.72 113.70 115.77 1wgs s SER 2 Ca 0.00 -0.37 -0.01 0.00 0.48 0.00 0.00 55.95 56.05 1wgs s SER 2 Cb 0.00 -2.05 0.00 0.00 0.10 0.00 0.00 66.02 64.07 1wgs s SER 2 CO 0.00 -0.16 0.05 -0.24 0.98 0.00 0.00 173.24 173.86 1wgs n SER 3 N 5.02 -8.06 -1.36 7.02 2.88 -1.26 -5.06 113.62 112.81 1wgs n SER 3 Ca -0.14 1.38 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 1wgs n SER 3 Cb 0.50 -5.36 0.00 0.00 -0.75 0.00 0.00 64.21 58.60 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgs n GLY 4 N 0.63 2.55 2.70 0.46 0.00 -1.26 -5.12 105.19 105.15 1wgs n GLY 4 Ca 0.01 -2.11 -0.02 0.00 0.00 0.00 0.00 46.02 43.89 1wgs n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wgs s SER 5 N -0.88 -0.38 0.46 1.61 1.04 -1.26 -5.15 113.70 109.13 1wgs s SER 5 Ca 0.00 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1wgs s SER 5 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1wgs s SER 5 CO 0.00 -0.02 0.00 -1.20 0.98 0.00 0.00 173.24 173.00 1wgs n SER 6 N 2.79 -6.87 0.00 7.02 7.64 -1.26 -5.04 113.62 117.90 1wgs n SER 6 Ca 0.11 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.01 1wgs n SER 6 Cb 0.64 -4.27 0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1wgs n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgs n GLY 7 N -4.01 -0.42 3.18 0.23 0.00 -1.26 -5.18 105.19 97.73 1wgs n GLY 7 Ca -0.05 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 1wgs n GLY 7 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1wgs s GLU 8 N 0.00 0.60 -0.87 1.61 1.03 -1.26 -5.09 118.70 114.71 1wgs s GLU 8 Ca 0.00 -0.30 -0.25 0.00 0.03 0.00 0.00 54.97 54.45 1wgs s GLU 8 Cb 0.00 0.26 0.00 0.00 -0.80 0.00 0.00 34.13 33.59 1wgs s GLU 8 CO 0.00 -0.16 1.65 -1.25 -1.33 0.00 0.00 175.26 174.17 1wgs s PRO 9 N -1.43 3.03 -0.14 -4.83 0.04 -1.26 -4.96 135.00 125.46 1wgs s PRO 9 Ca -0.14 -0.43 -0.04 0.00 0.04 0.00 0.00 61.00 60.43 1wgs s PRO 9 Cb -0.06 -4.92 -0.03 0.00 0.04 0.00 0.00 34.50 29.53 1wgs s PRO 9 CO 0.03 -2.67 -0.01 -1.21 0.04 0.00 0.00 177.00 173.18 1wgs s GLU 10 N 6.10 3.52 1.20 4.56 2.02 -1.26 -5.10 118.70 129.74 1wgs s GLU 10 Ca 0.56 -0.45 -0.18 0.00 0.02 0.00 0.00 54.97 54.92 1wgs s GLU 10 Cb -0.05 -2.93 0.28 0.00 0.10 0.00 0.00 34.13 31.53 1wgs s GLU 10 CO 0.02 0.39 1.06 0.54 0.02 0.00 0.00 175.26 177.28 1wgs s VAL 11 N -0.01 1.67 0.05 2.63 0.11 -1.26 -5.07 120.40 118.51 1wgs s VAL 11 Ca 0.02 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 59.04 1wgs s VAL 11 Cb -0.13 -2.35 -0.02 0.00 -1.53 0.00 0.00 36.38 32.34 1wgs s VAL 11 CO 0.02 0.00 0.04 0.28 -3.33 0.00 0.00 175.10 172.11 1wgs s THR 12 N -2.79 0.17 0.02 5.04 -1.32 -1.26 -5.16 115.64 110.35 1wgs s THR 12 Ca 0.69 -1.39 0.07 0.00 -1.21 0.00 0.00 61.69 59.85 1wgs s THR 12 Cb -0.14 -1.16 -0.03 0.00 -1.51 0.00 0.00 72.50 69.66 1wgs s THR 12 CO 0.58 -0.77 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.32 1wgs s VAL 13 N -3.23 2.53 0.06 5.08 1.01 -1.26 -5.07 120.40 119.52 1wgs s VAL 13 Ca 0.00 -1.19 0.06 0.00 0.00 0.00 0.00 61.98 60.85 1wgs s VAL 13 Cb 0.03 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.37 1wgs s VAL 13 CO -0.07 0.40 -0.16 -1.61 0.00 0.00 0.00 175.10 173.66 1wgs s GLU 14 N -1.20 1.00 0.47 2.72 0.41 -1.26 -5.14 118.70 115.70 1wgs s GLU 14 Ca 0.13 -0.88 -0.09 0.00 -0.41 0.00 0.00 54.97 53.71 1wgs s GLU 14 Cb -0.10 -1.06 -0.05 0.00 -1.78 0.00 0.00 34.13 31.13 1wgs s GLU 14 CO 0.03 0.26 0.83 0.42 -0.49 0.00 0.00 175.26 176.30 1wgs s ILE 15 N -0.98 4.80 0.00 -1.63 -1.09 -1.26 -3.93 121.20 117.11 1wgs s ILE 15 Ca 0.02 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.00 1wgs s ILE 15 Cb -0.09 -3.79 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1wgs s ILE 15 CO 0.02 -0.73 0.00 0.61 -1.23 0.00 0.00 174.94 173.61 1wgs n GLY 16 N -1.84 2.90 3.94 6.18 0.00 -1.00 -5.01 105.19 110.36 1wgs n GLY 16 Ca 0.03 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.12 3.14 -0.03 1.61 8.01 -1.25 -4.81 118.70 125.25 1wgs s GLU 17 Ca 0.00 -0.28 0.01 0.00 0.01 0.00 0.00 54.97 54.72 1wgs s GLU 17 Cb 0.00 -2.48 -0.03 0.00 -4.31 0.00 0.00 34.13 27.30 1wgs s GLU 17 CO 0.00 -0.31 -0.03 0.99 0.01 0.00 0.00 175.26 175.92 1wgs s THR 18 N -2.65 3.98 0.10 3.63 2.01 -1.26 -1.35 115.64 120.10 1wgs s THR 18 Ca 0.48 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1wgs s THR 18 Cb -0.10 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 1wgs s THR 18 CO 0.40 0.46 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.40 1wgs s TYR 19 N -0.98 0.97 -0.32 4.92 1.51 -0.48 -4.91 117.35 118.07 1wgs s TYR 19 Ca 0.17 -0.80 -0.27 0.00 -1.01 0.00 0.00 57.07 55.16 1wgs s TYR 19 Cb -0.11 -0.54 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 1wgs s TYR 19 CO 0.07 -0.07 0.96 -0.51 -1.11 0.00 0.00 175.55 174.88 1wgs s LEU 20 N -2.83 4.00 -0.05 -1.29 2.01 -1.26 0.14 118.68 119.41 1wgs s LEU 20 Ca 0.10 0.88 -0.05 0.00 0.01 0.00 0.00 54.13 55.07 1wgs s LEU 20 Cb 0.02 -3.35 -0.04 0.00 0.01 0.00 0.00 46.19 42.83 1wgs s LEU 20 CO -0.02 -0.78 0.18 0.00 1.01 0.00 0.00 176.35 176.74 1wgs s ARG 22 N -1.58 3.69 0.20 0.00 6.06 0.21 -2.01 118.95 125.53 1wgs s ARG 22 Ca 0.23 2.24 0.09 0.00 -2.50 0.00 0.00 55.73 55.79 1wgs s ARG 22 Cb -0.13 -2.60 -0.05 0.00 0.06 0.00 0.00 34.95 32.24 1wgs s ARG 22 CO 0.13 -0.75 -0.17 1.03 -2.50 0.00 0.00 175.30 173.04 1wgs s ARG 23 N -2.48 1.37 -0.03 5.12 1.81 -0.54 -4.85 118.95 119.35 1wgs s ARG 23 Ca 0.62 -1.56 -0.23 0.00 -1.72 0.00 0.00 55.73 52.83 1wgs s ARG 23 Cb -0.40 -1.31 -0.22 0.00 -0.45 0.00 0.00 34.95 32.57 1wgs s ARG 23 CO 0.50 0.24 1.08 -1.00 -0.68 0.00 0.00 175.30 175.45 1wgs h PRO 24 N 2.74 0.23 0.00 3.54 0.13 -1.96 -3.39 132.00 133.29 1wgs h PRO 24 Ca -0.40 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.51 1wgs h PRO 24 Cb 1.22 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.41 1wgs h PRO 24 CO 0.58 0.92 -0.34 -0.25 -0.23 0.00 0.00 178.00 178.68 1wgs n ASP 25 N -4.47 0.44 -2.37 1.44 8.00 -1.26 -4.81 116.55 113.52 1wgs n ASP 25 Ca -0.09 -2.06 -0.20 0.00 0.71 0.00 0.00 54.79 53.14 1wgs n ASP 25 Cb 0.51 -0.21 0.02 0.00 -0.02 0.00 0.00 41.12 41.42 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 -0.25 4.00 0.00 -2.24 7.64 -1.26 -5.04 113.62 116.47 1wgs n SER 26 Ca 0.03 -3.40 0.00 0.00 1.01 0.00 0.00 58.87 56.51 1wgs n SER 26 Cb 0.65 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 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 -0.53 0.00 -3.89 0.44 5.66 -1.26 -3.55 114.28 111.14 1wgs n THR 27 Ca 0.33 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 61.12 1wgs n THR 27 Cb 0.82 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.43 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 0.00 0.60 -0.04 1.09 0.52 -1.26 -1.47 118.94 118.38 1wgs s TRP 28 Ca 0.00 -0.13 0.05 0.00 0.02 0.00 0.00 56.10 56.04 1wgs s TRP 28 Cb 0.00 -0.69 -0.02 0.00 -1.15 0.00 0.00 33.47 31.61 1wgs s TRP 28 CO 0.00 -0.25 -0.20 -1.01 0.02 0.00 0.00 176.95 175.51 1wgs s HIS 29 N 1.55 2.54 0.33 -1.98 3.76 -0.85 -4.90 115.29 115.74 1wgs s HIS 29 Ca -0.02 -0.36 -0.29 0.00 -0.15 0.00 0.00 55.06 54.24 1wgs s HIS 29 Cb -0.13 -1.59 -0.11 0.00 1.11 0.00 0.00 32.58 31.87 1wgs s HIS 29 CO -0.03 0.03 1.40 -1.54 -0.85 0.00 0.00 174.74 173.74 1wgs s SER 30 N -0.55 6.60 -0.09 1.40 1.04 -1.26 -0.91 113.70 119.94 1wgs s SER 30 Ca 0.08 2.81 -0.03 0.00 0.48 0.00 0.00 55.95 59.28 1wgs s SER 30 Cb -0.11 -2.65 0.05 0.00 0.10 0.00 0.00 66.02 63.41 1wgs s SER 30 CO 0.01 -0.68 0.17 0.00 0.98 0.00 0.00 173.24 173.71 1wgs s ALA 31 N -0.88 -0.23 0.22 5.32 0.00 0.12 -3.45 121.76 122.87 1wgs s ALA 31 Ca 0.53 0.63 -0.30 0.00 0.00 0.00 0.00 51.96 52.82 1wgs s ALA 31 Cb -0.43 -0.77 -0.09 0.00 0.00 0.00 0.00 23.12 21.84 1wgs s ALA 31 CO 0.54 -0.49 1.20 -1.83 0.00 0.00 0.00 175.76 175.18 1wgs s GLU 32 N 2.08 4.50 -0.46 0.00 -1.05 0.76 -1.38 118.70 123.16 1wgs s GLU 32 Ca 0.00 1.92 -0.27 0.00 -0.15 0.00 0.00 54.97 56.47 1wgs s GLU 32 Cb -0.12 -3.20 0.03 0.00 -0.44 0.00 0.00 34.13 30.39 1wgs s GLU 32 CO -0.06 -0.05 1.01 0.08 0.95 0.00 0.00 175.26 177.19 1wgs s VAL 33 N -0.41 4.38 -0.05 1.83 1.01 -0.46 0.13 120.40 126.83 1wgs s VAL 33 Ca 0.51 0.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.29 1wgs s VAL 33 Cb -0.34 -4.49 -0.12 0.00 0.00 0.00 0.00 36.38 31.43 1wgs s VAL 33 CO 0.40 -0.87 0.72 0.40 0.00 0.00 0.00 175.10 175.74 1wgs h ILE 34 N 6.11 0.46 -1.99 2.22 1.08 0.10 -2.65 117.51 122.84 1wgs h ILE 34 Ca -0.23 -0.92 0.00 0.00 -0.39 0.00 0.00 64.86 63.32 1wgs h ILE 34 Cb 1.07 0.77 0.00 0.00 -3.07 0.00 0.00 36.82 35.59 1wgs h ILE 34 CO 1.06 0.12 0.00 0.00 -0.69 0.00 0.00 178.15 178.64 1wgs n GLN 35 N -5.00 0.00 -4.18 2.37 1.13 -1.23 -4.67 117.38 105.80 1wgs n GLN 35 Ca -0.07 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.86 1wgs n GLN 35 Cb 0.23 0.00 -0.10 0.00 0.11 0.00 0.00 30.24 30.47 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 -0.97 1.35 0.27 1.08 1.04 -1.26 -2.10 113.70 113.10 1wgs s SER 36 Ca 0.00 -0.89 -0.21 0.00 0.48 0.00 0.00 55.95 55.33 1wgs s SER 36 Cb 0.00 0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.18 1wgs s SER 36 CO 0.00 -0.34 0.69 0.00 0.98 0.00 0.00 173.24 174.57 1wgs s ARG 37 N -3.22 1.72 0.04 4.02 1.70 -1.09 -4.97 118.95 117.15 1wgs s ARG 37 Ca 0.08 -0.95 0.04 0.00 -0.47 0.00 0.00 55.73 54.44 1wgs s ARG 37 Cb 0.00 0.60 -0.02 0.00 -0.57 0.00 0.00 34.95 34.96 1wgs s ARG 37 CO -0.02 -0.78 -0.12 0.08 -1.08 0.00 0.00 175.30 173.38 1wgs s VAL 38 N -3.91 0.96 -0.23 4.99 1.01 -1.26 -2.02 120.40 119.94 1wgs s VAL 38 Ca 0.10 -0.97 -0.07 0.00 0.00 0.00 0.00 61.98 61.05 1wgs s VAL 38 Cb -0.05 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1wgs s VAL 38 CO 0.05 -0.07 0.06 0.20 0.00 0.00 0.00 175.10 175.34 1wgs s ASN 39 N -1.16 5.15 -0.08 3.32 -0.87 0.38 -4.98 114.94 116.70 1wgs s ASN 39 Ca -0.01 -0.17 -0.24 0.00 -1.57 0.00 0.00 52.86 50.87 1wgs s ASN 39 Cb -0.08 -1.91 -0.29 0.00 -0.02 0.00 0.00 41.25 38.94 1wgs s ASN 39 CO 0.01 0.01 0.84 0.44 -2.57 0.00 0.00 177.10 175.83 1wgs h ASP 40 N 7.94 0.30 -0.00 -1.22 5.19 -1.95 0.58 116.42 127.25 1wgs h ASP 40 Ca -0.38 -0.97 0.03 0.00 -0.62 0.00 0.00 57.03 55.10 1wgs h ASP 40 Cb 1.18 -0.10 -0.05 0.00 0.18 0.00 0.00 39.33 40.53 1wgs h ASP 40 CO 0.60 1.25 -0.37 -0.61 -3.12 0.00 0.00 179.24 176.99 1wgs h GLN 41 N -0.60 -0.50 0.10 3.56 4.15 -1.98 -2.92 115.11 116.92 1wgs h GLN 41 Ca -0.09 0.03 -0.24 0.00 0.77 0.00 0.00 58.65 59.12 1wgs h GLN 41 Cb 1.41 0.11 0.02 0.00 0.21 0.00 0.00 27.48 29.24 1wgs h GLN 41 CO 0.10 -0.34 -1.01 0.93 -1.93 0.00 0.00 178.83 176.57 1wgs h GLU 42 N -0.52 0.50 -1.10 1.69 4.39 -2.00 -3.48 114.58 114.06 1wgs h GLU 42 Ca 0.06 -0.68 0.00 0.00 0.34 0.00 0.00 59.36 59.07 1wgs h GLU 42 Cb 0.61 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 1wgs h GLU 42 CO -0.29 1.29 0.00 0.41 -1.16 0.00 0.00 179.01 179.26 1wgs n GLY 43 N 1.39 0.71 3.30 -3.84 0.00 0.20 -5.07 105.19 101.88 1wgs n GLY 43 Ca -0.13 -0.43 -0.18 0.00 0.00 0.00 0.00 46.02 45.28 1wgs n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgs s ARG 44 N -3.17 1.61 0.26 1.61 1.81 -0.84 -4.96 118.95 115.26 1wgs s ARG 44 Ca 0.00 -1.92 0.08 0.00 -1.72 0.00 0.00 55.73 52.17 1wgs s ARG 44 Cb 0.00 0.11 -0.04 0.00 -0.45 0.00 0.00 34.95 34.57 1wgs s ARG 44 CO 0.00 -0.52 0.14 -1.21 -0.68 0.00 0.00 175.30 173.03 1wgs s GLU 45 N -3.73 2.73 0.27 3.54 2.02 -1.26 -0.47 118.70 121.81 1wgs s GLU 45 Ca 0.37 -1.17 -0.15 0.00 0.02 0.00 0.00 54.97 54.04 1wgs s GLU 45 Cb 0.04 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.84 1wgs s GLU 45 CO 0.20 0.38 0.58 -1.21 0.02 0.00 0.00 175.26 175.24 1wgs s GLU 46 N -3.80 1.69 -0.18 1.61 2.02 -0.86 -4.61 118.70 114.58 1wgs s GLU 46 Ca 0.33 -1.19 -0.07 0.00 0.02 0.00 0.00 54.97 54.05 1wgs s GLU 46 Cb -0.07 0.53 0.08 0.00 0.10 0.00 0.00 34.13 34.76 1wgs s GLU 46 CO 0.23 -0.74 0.40 -0.06 0.02 0.00 0.00 175.26 175.12 1wgs s PHE 47 N -3.84 -0.70 -0.79 1.61 0.08 0.34 -2.69 117.98 111.98 1wgs s PHE 47 Ca 0.18 1.40 -0.25 0.00 0.12 0.00 0.00 56.93 58.38 1wgs s PHE 47 Cb -0.03 0.26 -0.02 0.00 -0.57 0.00 0.00 43.02 42.67 1wgs s PHE 47 CO 0.09 -0.43 1.79 -0.47 -0.10 0.00 0.00 175.22 176.10 1wgs s TYR 48 N 2.21 1.88 -0.05 0.36 5.04 -0.89 -0.31 117.35 125.59 1wgs s TYR 48 Ca -0.04 0.45 -0.12 0.00 -2.44 0.00 0.00 57.07 54.92 1wgs s TYR 48 Cb -0.11 -4.20 -0.05 0.00 0.35 0.00 0.00 41.96 37.96 1wgs s TYR 48 CO -0.12 -2.01 0.30 0.14 -1.34 0.00 0.00 175.55 172.52 1wgs s VAL 49 N 8.69 5.23 -0.21 3.14 -7.23 -1.07 0.83 120.40 129.78 1wgs s VAL 49 Ca 0.63 0.58 -0.04 0.00 -1.81 0.00 0.00 61.98 61.33 1wgs s VAL 49 Cb -0.08 -3.58 -0.02 0.00 0.56 0.00 0.00 36.38 33.26 1wgs s VAL 49 CO 0.07 0.59 -0.02 -2.28 -0.31 0.00 0.00 175.10 173.16 1wgs s HIS 50 N -1.06 2.99 -0.98 2.82 2.46 0.34 -3.76 115.29 118.10 1wgs s HIS 50 Ca 0.20 -0.70 -0.24 0.00 0.47 0.00 0.00 55.06 54.80 1wgs s HIS 50 Cb -0.15 -2.10 -0.03 0.00 -0.13 0.00 0.00 32.58 30.18 1wgs s HIS 50 CO 0.10 -0.40 1.83 0.71 -2.47 0.00 0.00 174.74 174.50 1wgs s TYR 51 N 1.28 2.03 -0.97 3.88 2.02 -1.25 -0.17 117.35 124.16 1wgs s TYR 51 Ca 0.04 0.19 -0.24 0.00 -0.37 0.00 0.00 57.07 56.68 1wgs s TYR 51 Cb -0.14 -4.21 -0.08 0.00 -0.40 0.00 0.00 41.96 37.12 1wgs s TYR 51 CO -0.00 -1.72 2.03 0.14 -1.57 0.00 0.00 175.55 174.43 1wgs s VAL 52 N 8.85 3.38 0.00 0.71 -7.23 -1.22 -2.49 120.40 122.40 1wgs s VAL 52 Ca 0.64 -0.43 0.00 0.00 -1.81 0.00 0.00 61.98 60.38 1wgs s VAL 52 Cb -0.04 -4.00 0.00 0.00 0.56 0.00 0.00 36.38 32.90 1wgs s VAL 52 CO -0.00 -0.75 0.00 0.61 -0.31 0.00 0.00 175.10 174.64 1wgs n GLY 53 N 6.53 0.86 0.00 2.32 0.00 -1.26 -4.92 105.19 108.71 1wgs n GLY 53 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 -3.42 1.61 3.01 -1.04 -5.07 117.46 112.55 1wgs n PHE 54 Ca 0.00 0.00 -0.00 0.00 1.01 0.00 0.00 57.45 58.46 1wgs n PHE 54 Cb 0.00 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.40 1wgs n PHE 54 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wgs n ASN 55 N -0.72 -0.14 -0.07 4.37 3.02 -1.25 -5.06 115.26 115.40 1wgs n ASN 55 Ca 0.00 -1.08 -0.05 0.00 -0.03 0.00 0.00 54.58 53.42 1wgs n ASN 55 Cb 0.00 0.23 -0.03 0.00 -0.61 0.00 0.00 39.78 39.37 1wgs n ASN 55 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1wgs h ARG 56 N 0.00 0.00 -1.26 3.52 2.43 -1.98 -3.36 114.38 113.74 1wgs h ARG 56 Ca -0.02 0.00 0.42 0.00 -0.81 0.00 0.00 59.98 59.57 1wgs h ARG 56 Cb 0.09 0.00 -0.13 0.00 -0.42 0.00 0.00 29.97 29.51 1wgs h ARG 56 CO 0.03 0.16 0.80 0.07 -1.51 0.00 0.00 179.97 179.52 1wgs h ARG 57 N -1.00 0.10 -3.91 0.20 -0.00 -2.00 -2.67 114.38 105.11 1wgs h ARG 57 Ca -0.04 -0.01 -0.45 0.00 -0.00 0.00 0.00 59.98 59.48 1wgs h ARG 57 Cb 0.46 -0.02 0.03 0.00 -0.00 0.00 0.00 29.97 30.44 1wgs h ARG 57 CO -0.02 0.07 2.33 1.28 -0.00 0.00 0.00 179.97 183.63 1wgs n LEU 58 N -4.77 4.12 -3.88 0.08 4.32 -1.26 -4.75 117.00 110.86 1wgs n LEU 58 Ca 0.36 -2.70 -0.22 0.00 -0.02 0.00 0.00 56.01 53.44 1wgs n LEU 58 Cb 1.36 -1.04 -0.17 0.00 -1.62 0.00 0.00 43.42 41.96 1wgs n LEU 58 CO 0.18 0.03 -0.41 -1.81 -1.22 0.00 0.00 177.39 174.17 1wgs s ASP 59 N 4.22 1.26 0.23 -1.43 1.01 -1.01 -3.91 116.67 117.04 1wgs s ASP 59 Ca 0.44 -0.15 -0.13 0.00 0.71 0.00 0.00 52.55 53.41 1wgs s ASP 59 Cb 0.11 -0.52 0.00 0.00 1.01 0.00 0.00 42.92 43.52 1wgs s ASP 59 CO 0.04 -0.08 0.47 -1.83 0.21 0.00 0.00 175.17 173.98 1wgs s GLU 60 N 1.16 1.49 0.13 8.23 -1.05 -1.25 -5.06 118.70 122.35 1wgs s GLU 60 Ca -0.07 -1.17 -0.26 0.00 -0.15 0.00 0.00 54.97 53.32 1wgs s GLU 60 Cb -0.14 0.47 -0.07 0.00 -0.44 0.00 0.00 34.13 33.95 1wgs s GLU 60 CO -0.01 -0.62 0.80 -1.58 0.95 0.00 0.00 175.26 174.79 1wgs s TRP 61 N -3.99 3.85 0.35 4.83 0.52 -1.26 -2.59 118.94 120.66 1wgs s TRP 61 Ca 0.19 1.61 0.07 0.00 0.02 0.00 0.00 56.10 58.00 1wgs s TRP 61 Cb -0.01 -2.82 -0.07 0.00 -1.15 0.00 0.00 33.47 29.43 1wgs s TRP 61 CO 0.06 0.41 -0.02 0.14 0.02 0.00 0.00 176.95 177.56 1wgs s VAL 62 N -0.72 1.84 0.29 4.03 -7.23 0.58 -4.82 120.40 114.37 1wgs s VAL 62 Ca 0.38 -2.08 0.07 0.00 -1.81 0.00 0.00 61.98 58.54 1wgs s VAL 62 Cb -0.22 -2.76 -0.03 0.00 0.56 0.00 0.00 36.38 33.92 1wgs s VAL 62 CO 0.26 -0.11 0.25 -1.81 -0.31 0.00 0.00 175.10 173.38 1wgs s ASP 63 N -3.59 5.43 0.41 4.85 1.11 -1.26 0.13 116.67 123.75 1wgs s ASP 63 Ca 0.34 -0.36 0.15 0.00 0.18 0.00 0.00 52.55 52.85 1wgs s ASP 63 Cb 0.07 -1.20 1.02 0.00 1.07 0.00 0.00 42.92 43.87 1wgs s ASP 63 CO 0.16 -0.20 1.90 0.11 1.18 0.00 0.00 175.17 178.32 1wgs h LYS 64 N 1.35 0.45 -0.33 8.23 1.57 -1.92 0.17 116.57 126.09 1wgs h LYS 64 Ca -0.47 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 1wgs h LYS 64 Cb 1.25 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.44 1wgs h LYS 64 CO 0.59 0.30 -0.10 -0.97 -0.57 0.00 0.00 179.45 178.71 1wgs h ASN 65 N 0.46 0.66 -0.39 0.86 -1.24 -1.96 -2.59 115.58 111.39 1wgs h ASN 65 Ca 0.40 -0.37 0.10 0.00 0.71 0.00 0.00 56.30 57.14 1wgs h ASN 65 Cb 0.88 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.73 1wgs h ASN 65 CO -0.14 0.88 0.28 0.03 -1.29 0.00 0.00 177.43 177.18 1wgs h ARG 66 N 0.43 0.04 -7.03 6.67 3.08 -1.08 -3.42 114.38 113.08 1wgs h ARG 66 Ca 0.08 -0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.67 1wgs h ARG 66 Cb 0.60 -0.01 0.07 0.00 0.08 0.00 0.00 29.97 30.71 1wgs h ARG 66 CO 0.04 0.03 0.06 -0.51 -1.07 0.00 0.00 179.97 178.52 1wgs s LEU 67 N -8.91 3.04 -0.35 3.04 1.43 -0.72 0.68 118.68 116.88 1wgs s LEU 67 Ca -0.05 -0.33 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 1wgs s LEU 67 Cb 0.19 -2.12 0.07 0.00 0.03 0.00 0.00 46.19 44.36 1wgs s LEU 67 CO 0.72 -1.69 0.11 0.00 0.23 0.00 0.00 176.35 175.71 1wgs s ALA 68 N -3.04 3.00 -0.42 4.21 0.00 -0.33 -4.87 121.76 120.32 1wgs s ALA 68 Ca 0.64 -2.10 -0.03 0.00 0.00 0.00 0.00 51.96 50.48 1wgs s ALA 68 Cb -0.06 -2.20 0.11 0.00 0.00 0.00 0.00 23.12 20.96 1wgs s ALA 68 CO 0.43 -1.51 0.21 -0.51 0.00 0.00 0.00 175.76 174.38 1wgs s LEU 69 N 1.23 5.26 0.16 0.00 1.43 -1.26 -4.66 118.68 120.84 1wgs s LEU 69 Ca 0.01 -2.05 0.00 0.00 -1.03 0.00 0.00 54.13 51.06 1wgs s LEU 69 Cb -0.21 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1wgs s LEU 69 CO -0.02 -0.54 0.00 0.41 0.23 0.00 0.00 176.35 176.43 1wgs n THR 70 N 4.57 -0.11 -2.10 5.49 -1.04 -1.26 -4.43 114.28 115.40 1wgs n THR 70 Ca -0.02 0.20 -0.35 0.00 -2.04 0.00 0.00 64.05 61.84 1wgs n THR 70 Cb 0.41 -0.34 -0.04 0.00 -1.82 0.00 0.00 70.33 68.54 1wgs n THR 70 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1wgs n LYS 71 N -2.90 2.15 0.00 -2.82 5.02 -1.26 -3.90 118.16 114.44 1wgs n LYS 71 Ca -0.02 -2.65 0.00 0.00 -2.02 0.00 0.00 58.31 53.62 1wgs n LYS 71 Cb 0.20 -3.54 0.00 0.00 -0.02 0.00 0.00 35.03 31.67 1wgs n LYS 71 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1wgs n THR 72 N 7.02 0.00 -4.44 -0.18 -1.04 -1.26 -5.10 114.28 109.28 1wgs n THR 72 Ca 0.47 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 62.18 1wgs n THR 72 Cb 0.45 -0.38 -0.12 0.00 -1.82 0.00 0.00 70.33 68.47 1wgs n THR 72 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 1wgs s VAL 73 N -1.69 2.87 -1.86 12.58 -7.23 -1.25 -5.10 120.40 118.72 1wgs s VAL 73 Ca 0.00 -1.35 0.00 0.00 -1.81 0.00 0.00 61.98 58.82 1wgs s VAL 73 Cb 0.00 -2.28 0.00 0.00 0.56 0.00 0.00 36.38 34.66 1wgs s VAL 73 CO 0.00 0.20 0.00 0.29 -0.31 0.00 0.00 175.10 175.28 1wgs n LYS 74 N 1.09 -1.32 0.16 4.82 4.76 -1.26 -4.80 118.16 121.61 1wgs n LYS 74 Ca -0.16 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.22 1wgs n LYS 74 Cb 0.52 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.68 1wgs n LYS 74 CO 0.00 0.00 0.00 0.22 -1.37 0.00 0.00 177.40 176.25 1wgs h ASP 75 N 0.00 -0.34 0.00 4.39 3.58 -1.99 -3.48 116.42 118.58 1wgs h ASP 75 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1wgs h ASP 75 Cb 0.00 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.14 1wgs h ASP 75 CO 0.00 -0.24 0.00 0.00 -2.88 0.00 0.00 179.24 176.12 1wgs n ALA 76 N -2.20 0.00 -4.19 -0.78 0.00 -1.26 -4.99 120.51 107.08 1wgs n ALA 76 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 1wgs n ALA 76 Cb 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.55 1wgs n ALA 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wgs n VAL 77 N -0.18 -1.82 -0.17 0.00 0.31 -1.26 -4.81 118.33 110.39 1wgs n VAL 77 Ca 0.00 -0.53 -0.07 0.00 -0.01 0.00 0.00 64.34 63.73 1wgs n VAL 77 Cb 0.00 -1.63 -0.06 0.00 -0.91 0.00 0.00 33.84 31.25 1wgs n VAL 77 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 1wgs h GLN 78 N -1.96 -0.09 -6.98 5.55 5.75 -1.96 -3.44 115.11 111.98 1wgs h GLN 78 Ca -0.67 0.01 -0.60 0.00 -0.15 0.00 0.00 58.65 57.24 1wgs h GLN 78 Cb 1.40 0.02 -0.13 0.00 1.07 0.00 0.00 27.48 29.83 1wgs h GLN 78 CO 0.65 -0.06 -0.98 1.17 -2.65 0.00 0.00 178.83 176.97 1wgs n LYS 79 N -4.25 -0.91 -3.61 1.69 3.00 -1.26 -4.88 118.16 107.94 1wgs n LYS 79 Ca -0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 58.31 58.40 1wgs n LYS 79 Cb 0.17 -3.34 -0.01 0.00 0.00 0.00 0.00 35.03 31.85 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 -4.10 -0.12 -0.21 3.14 3.84 -1.26 -5.19 114.94 111.05 1wgs s ASN 80 Ca 0.16 -0.07 -0.31 0.00 0.21 0.00 0.00 52.86 52.85 1wgs s ASN 80 Cb -0.09 0.18 0.15 0.00 -0.55 0.00 0.00 41.25 40.94 1wgs s ASN 80 CO 0.98 -0.30 1.18 -0.55 -2.79 0.00 0.00 177.10 175.62 1wgs s SER 81 N -2.54 -0.19 0.18 -4.21 0.15 -1.26 -5.17 113.70 100.66 1wgs s SER 81 Ca 0.11 0.14 -0.22 0.00 0.70 0.00 0.00 55.95 56.68 1wgs s SER 81 Cb 0.01 0.17 0.06 0.00 -1.71 0.00 0.00 66.02 64.55 1wgs s SER 81 CO -0.04 -0.22 0.61 -0.70 1.20 0.00 0.00 173.24 174.09 1wgs s GLU 82 N -1.56 1.36 -0.06 5.44 2.12 -1.26 -5.10 118.70 119.64 1wgs s GLU 82 Ca 0.06 -0.57 -0.07 0.00 0.36 0.00 0.00 54.97 54.74 1wgs s GLU 82 Cb -0.01 0.59 -0.02 0.00 0.26 0.00 0.00 34.13 34.95 1wgs s GLU 82 CO -0.04 -0.60 -0.14 1.17 -0.54 0.00 0.00 175.26 175.11 1wgs n LYS 83 N -0.39 0.21 -3.52 4.30 4.81 -1.26 -5.10 118.16 117.22 1wgs n LYS 83 Ca -0.15 0.08 -0.16 0.00 -0.87 0.00 0.00 58.31 57.22 1wgs n LYS 83 Cb 0.64 -0.83 -0.05 0.00 0.02 0.00 0.00 35.03 34.81 1wgs n LYS 83 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1wgs s TYR 84 N -1.83 -0.57 0.09 5.64 5.04 -1.26 -5.02 117.35 119.45 1wgs s TYR 84 Ca -0.11 0.79 -0.01 0.00 -2.44 0.00 0.00 57.07 55.29 1wgs s TYR 84 Cb 0.02 0.42 0.18 0.00 0.35 0.00 0.00 41.96 42.92 1wgs s TYR 84 CO 0.17 -0.66 0.49 1.28 -1.34 0.00 0.00 175.55 175.49 1wgs n LEU 85 N 0.53 -0.09 -2.83 6.97 4.77 -1.26 -4.79 117.00 120.31 1wgs n LEU 85 Ca -0.18 0.54 -0.03 0.00 -0.03 0.00 0.00 56.01 56.31 1wgs n LEU 85 Cb 0.59 -0.18 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1wgs n LEU 85 CO 0.20 -0.53 -0.38 -0.24 -1.33 0.00 0.00 177.39 175.11 1wgs n SER 86 N -4.42 -3.95 -2.39 -1.43 2.88 -1.26 -5.05 113.62 98.01 1wgs n SER 86 Ca 0.06 1.16 -0.06 0.00 -1.33 0.00 0.00 58.87 58.70 1wgs n SER 86 Cb 0.19 -3.58 0.02 0.00 -0.75 0.00 0.00 64.21 60.09 1wgs n SER 86 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1wgs n GLU 87 N 2.01 0.79 -0.88 -1.46 -0.58 -1.26 -5.15 120.64 114.11 1wgs n GLU 87 Ca -0.22 -1.57 -0.35 0.00 -0.42 0.00 0.00 57.16 54.60 1wgs n GLU 87 Cb 0.35 1.98 0.09 0.00 -0.57 0.00 0.00 31.44 33.30 1wgs n GLU 87 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1wgs n LEU 88 N 0.00 -2.88 -3.91 -4.62 7.99 -1.26 -5.01 117.00 107.31 1wgs n LEU 88 Ca -0.06 0.19 -0.10 0.00 -0.01 0.00 0.00 56.01 56.04 1wgs n LEU 88 Cb 0.44 -0.95 -0.01 0.00 -0.11 0.00 0.00 43.42 42.79 1wgs n LEU 88 CO 0.20 -4.37 0.37 0.00 -1.51 0.00 0.00 177.39 172.07 1wgs s ALA 89 N -2.20 -0.45 -0.66 -1.18 0.00 -1.26 -5.10 121.76 110.92 1wgs s ALA 89 Ca 0.49 -0.83 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 1wgs s ALA 89 Cb -0.16 0.89 0.01 0.00 0.00 0.00 0.00 23.12 23.87 1wgs s ALA 89 CO 0.73 -0.93 1.45 -2.00 0.00 0.00 0.00 175.76 175.00 1wgs s GLU 90 N -3.18 3.10 0.22 0.00 2.12 -1.26 -4.99 118.70 114.71 1wgs s GLU 90 Ca 0.19 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.65 1wgs s GLU 90 Cb -0.03 -4.21 -0.05 0.00 0.26 0.00 0.00 34.13 30.10 1wgs s GLU 90 CO 0.12 -2.21 0.45 1.14 -0.54 0.00 0.00 175.26 174.21 1wgs s GLN 91 N 5.94 3.58 0.89 4.30 0.00 -1.26 -5.09 119.66 128.03 1wgs s GLN 91 Ca 0.47 -0.16 -0.12 0.00 -0.00 0.00 0.00 55.36 55.55 1wgs s GLN 91 Cb -0.10 -2.77 0.13 0.00 0.00 0.00 0.00 33.01 30.27 1wgs s GLN 91 CO 0.19 0.35 1.13 -1.25 0.00 0.00 0.00 175.29 175.71 1wgs s PRO 92 N -3.26 1.30 0.00 9.60 0.04 -1.26 -5.08 135.00 136.35 1wgs s PRO 92 Ca 0.41 0.34 0.00 0.00 0.04 0.00 0.00 61.00 61.79 1wgs s PRO 92 Cb -0.11 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1wgs s PRO 92 CO 0.28 -2.10 0.00 -1.91 0.04 0.00 0.00 177.00 173.32 1wgs n GLU 93 N -3.71 0.00 0.00 4.56 0.00 -1.26 -5.19 120.64 115.05 1wgs n GLU 93 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.23 1wgs n GLU 93 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.03 1wgs n GLU 93 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.13 180.02 1wgs n ARG 94 N 0.00 0.00 -3.28 5.31 1.85 -1.26 -5.16 116.66 114.12 1wgs n ARG 94 Ca 0.00 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.88 1wgs n ARG 94 Cb 0.00 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.38 1wgs n ARG 94 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 177.63 176.03 1wgs s LYS 95 N -2.00 0.24 1.17 2.89 0.00 -1.26 -5.17 119.74 115.62 1wgs s LYS 95 Ca 0.00 0.54 -0.13 0.00 0.00 0.00 0.00 55.97 56.38 1wgs s LYS 95 Cb 0.00 0.32 0.29 0.00 0.00 0.00 0.00 37.83 38.44 1wgs s LYS 95 CO 0.00 -0.15 1.03 -1.50 0.00 0.00 0.00 175.35 174.72 1wgs s ILE 96 N 2.60 1.98 0.09 3.79 2.07 -1.26 -5.06 121.20 125.41 1wgs s ILE 96 Ca -0.00 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.17 1wgs s ILE 96 Cb -0.07 -2.10 -0.01 0.00 0.13 0.00 0.00 42.46 40.40 1wgs s ILE 96 CO -0.15 0.00 0.15 0.28 -1.91 0.00 0.00 174.94 173.31 1wgs s THR 97 N -2.50 0.15 0.11 4.00 -1.32 -1.26 -5.17 115.64 109.64 1wgs s THR 97 Ca 0.68 -1.37 -0.26 0.00 -1.21 0.00 0.00 61.69 59.52 1wgs s THR 97 Cb -0.24 -1.48 0.08 0.00 -1.51 0.00 0.00 72.50 69.35 1wgs s THR 97 CO 0.64 -0.66 1.06 -0.13 -2.21 0.00 0.00 174.62 173.32 1wgs s ARG 98 N -3.90 0.97 0.02 7.08 0.52 -1.26 -5.19 118.95 117.19 1wgs s ARG 98 Ca 0.08 -0.55 -0.29 0.00 -0.52 0.00 0.00 55.73 54.45 1wgs s ARG 98 Cb 0.05 0.33 0.11 0.00 0.52 0.00 0.00 34.95 35.96 1wgs s ARG 98 CO -0.09 -0.45 1.18 0.54 0.02 0.00 0.00 175.30 176.50 1wgs s ASN 99 N -2.99 -0.11 0.31 0.23 4.22 -1.26 -5.19 114.94 110.16 1wgs s ASN 99 Ca 0.13 -0.19 -0.14 0.00 -2.14 0.00 0.00 52.86 50.53 1wgs s ASN 99 Cb 0.00 0.26 0.02 0.00 1.28 0.00 0.00 41.25 42.81 1wgs s ASN 99 CO 0.01 -0.47 0.62 -1.58 -2.04 0.00 0.00 177.10 173.64 1wgs s GLN 100 N -2.69 1.87 0.36 3.55 0.74 -1.26 -5.19 119.66 117.05 1wgs s GLN 100 Ca 0.13 -1.34 -0.17 0.00 0.05 0.00 0.00 55.36 54.03 1wgs s GLN 100 Cb 0.02 0.54 0.05 0.00 1.10 0.00 0.00 33.01 34.73 1wgs s GLN 100 CO -0.02 -0.83 0.77 -1.59 -0.55 0.00 0.00 175.29 173.07 1wgs s LYS 101 N -3.32 2.14 0.12 1.67 -2.85 -1.26 -5.19 119.74 111.05 1wgs s LYS 101 Ca 0.19 -1.35 -0.21 0.00 -1.00 0.00 0.00 55.97 53.60 1wgs s LYS 101 Cb -0.03 0.62 0.06 0.00 -2.06 0.00 0.00 37.83 36.42 1wgs s LYS 101 CO 0.11 -1.00 0.53 0.50 0.10 0.00 0.00 175.35 175.60 1wgs s ARG 102 N -2.65 1.16 0.24 1.78 3.00 -1.26 -5.18 118.95 116.04 1wgs s ARG 102 Ca 0.15 -0.45 -0.06 0.00 -1.00 0.00 0.00 55.73 54.36 1wgs s ARG 102 Cb -0.05 0.53 -0.02 0.00 0.00 0.00 0.00 34.95 35.41 1wgs s ARG 102 CO 0.11 -0.47 0.33 0.21 0.00 0.00 0.00 175.30 175.48 1wgs s LYS 103 N -3.38 1.46 0.31 5.12 2.20 -1.26 -5.18 119.74 119.01 1wgs s LYS 103 Ca -0.00 -1.49 -0.18 0.00 -0.36 0.00 0.00 55.97 53.94 1wgs s LYS 103 Cb -0.00 0.38 0.06 0.00 -1.51 0.00 0.00 37.83 36.76 1wgs s LYS 103 CO -0.09 -0.56 0.88 -1.58 -0.36 0.00 0.00 175.35 173.63 1wgs s HIS 104 N -3.94 0.10 0.13 4.03 2.46 -1.26 -5.19 115.29 111.62 1wgs s HIS 104 Ca 0.31 -0.67 -0.26 0.00 0.47 0.00 0.00 55.06 54.91 1wgs s HIS 104 Cb 0.03 0.79 0.07 0.00 -0.13 0.00 0.00 32.58 33.33 1wgs s HIS 104 CO 0.12 -1.34 1.00 0.34 -2.47 0.00 0.00 174.74 172.39 1wgs s ASP 105 N -3.18 -0.16 -0.12 9.88 2.15 -1.26 -5.18 116.67 118.80 1wgs s ASP 105 Ca 0.18 -0.38 -0.10 0.00 0.43 0.00 0.00 52.55 52.68 1wgs s ASP 105 Cb -0.04 0.45 0.03 0.00 -0.30 0.00 0.00 42.92 43.06 1wgs s ASP 105 CO 0.09 -0.83 0.32 -0.70 -0.17 0.00 0.00 175.17 173.87 1wgs s GLU 106 N -3.18 0.35 0.96 4.34 2.12 -1.26 -5.17 118.70 116.87 1wgs s GLU 106 Ca 0.13 0.47 -0.16 0.00 0.36 0.00 0.00 54.97 55.76 1wgs s GLU 106 Cb -0.01 0.14 0.20 0.00 0.26 0.00 0.00 34.13 34.73 1wgs s GLU 106 CO 0.02 -0.06 1.32 0.96 -0.54 0.00 0.00 175.26 176.96 1wgs s ILE 107 N 0.34 2.00 -0.14 -3.70 -5.25 -1.26 -5.10 121.20 108.09 1wgs s ILE 107 Ca -0.01 -0.01 -0.32 0.00 -0.99 0.00 0.00 60.65 59.32 1wgs s ILE 107 Cb -0.03 -2.99 0.13 0.00 2.95 0.00 0.00 42.46 42.51 1wgs s ILE 107 CO -0.01 0.00 1.09 0.21 -1.79 0.00 0.00 174.94 174.44 1wgs s ASN 108 N -4.90 -0.24 -0.22 4.36 2.47 -1.26 -5.18 114.94 109.97 1wgs s ASN 108 Ca 0.74 0.08 -0.30 0.00 0.42 0.00 0.00 52.86 53.80 1wgs s ASN 108 Cb -0.04 0.23 0.16 0.00 -1.45 0.00 0.00 41.25 40.15 1wgs s ASN 108 CO 0.53 -0.34 1.19 -2.28 -3.72 0.00 0.00 177.10 172.48 1wgs s HIS 109 N -2.25 -0.19 0.15 0.43 2.46 -1.26 -5.18 115.29 109.46 1wgs s HIS 109 Ca 0.06 0.30 0.02 0.00 0.47 0.00 0.00 55.06 55.91 1wgs s HIS 109 Cb -0.01 0.48 -0.05 0.00 -0.13 0.00 0.00 32.58 32.87 1wgs s HIS 109 CO -0.05 -0.18 -0.02 0.54 -2.47 0.00 0.00 174.74 172.55 1wgs s VAL 110 N -1.21 0.74 0.52 0.89 0.11 -1.26 -5.17 120.40 115.02 1wgs s VAL 110 Ca 0.05 -1.98 0.04 0.00 -2.93 0.00 0.00 61.98 57.15 1wgs s VAL 110 Cb -0.01 -2.00 0.01 0.00 -1.53 0.00 0.00 36.38 32.85 1wgs s VAL 110 CO -0.04 -0.59 0.20 0.00 -3.33 0.00 0.00 175.10 171.34 1wgs s GLN 111 N -3.88 2.22 -0.28 1.54 1.03 -1.26 -5.15 119.66 113.88 1wgs s GLN 111 Ca 0.21 -2.19 -0.25 0.00 0.04 0.00 0.00 55.36 53.16 1wgs s GLN 111 Cb 0.05 -1.82 0.14 0.00 0.03 0.00 0.00 33.01 31.41 1wgs s GLN 111 CO 0.02 -0.47 1.15 0.21 -2.54 0.00 0.00 175.29 173.66 1wgs s LYS 112 N -4.07 0.38 0.04 9.60 2.20 -1.26 -5.18 119.74 121.44 1wgs s LYS 112 Ca 0.21 0.43 -0.13 0.00 -0.36 0.00 0.00 55.97 56.12 1wgs s LYS 112 Cb -0.00 0.18 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 1wgs s LYS 112 CO 0.13 -0.05 0.28 0.99 -0.36 0.00 0.00 175.35 176.34 1wgs s THR 113 N 0.12 0.09 -0.20 3.43 2.01 -1.26 -5.17 115.64 114.65 1wgs s THR 113 Ca 0.04 -0.71 -0.30 0.00 0.31 0.00 0.00 61.69 61.03 1wgs s THR 113 Cb -0.05 -0.91 0.15 0.00 0.01 0.00 0.00 72.50 71.70 1wgs s THR 113 CO -0.09 -0.39 1.15 -0.47 -0.69 0.00 0.00 174.62 174.13 1wgs s TYR 114 N -2.48 -0.22 0.36 4.92 6.14 -1.26 -5.19 117.35 119.62 1wgs s TYR 114 Ca -0.06 0.34 -0.04 0.00 0.64 0.00 0.00 57.07 57.96 1wgs s TYR 114 Cb -0.01 0.48 0.01 0.00 0.42 0.00 0.00 41.96 42.86 1wgs s TYR 114 CO -0.03 -0.22 0.53 0.00 0.64 0.00 0.00 175.55 176.47 1wgs s ALA 115 N -1.31 0.59 -0.07 3.97 0.00 -1.26 -5.16 121.76 118.52 1wgs s ALA 115 Ca 0.04 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.60 1wgs s ALA 115 Cb -0.01 1.08 -0.02 0.00 0.00 0.00 0.00 23.12 24.18 1wgs s ALA 115 CO -0.03 -0.82 -0.20 -1.21 0.00 0.00 0.00 175.76 173.50 1wgs s GLU 116 N -2.86 2.70 0.03 0.00 2.02 -1.26 -5.13 118.70 114.21 1wgs s GLU 116 Ca 0.28 -0.81 -0.00 0.00 0.02 0.00 0.00 54.97 54.47 1wgs s GLU 116 Cb -0.01 -2.31 -0.04 0.00 0.10 0.00 0.00 34.13 31.87 1wgs s GLU 116 CO 0.20 0.41 0.14 -1.64 0.02 0.00 0.00 175.26 174.39 1wgs s MET 117 N -0.21 3.22 -0.30 1.61 -1.94 -1.26 -5.09 119.30 115.33 1wgs s MET 117 Ca -0.01 -0.48 -0.17 0.00 -1.71 0.00 0.00 55.69 53.32 1wgs s MET 117 Cb -0.13 -2.94 0.20 0.00 2.01 0.00 0.00 34.83 33.97 1wgs s MET 117 CO 0.03 0.62 1.23 0.16 -0.01 0.00 0.00 175.02 177.06 1wgs s ASP 118 N -2.16 -0.12 -0.00 3.03 1.47 -1.26 -5.10 116.67 112.53 1wgs s ASP 118 Ca 0.29 0.19 -0.00 0.00 1.18 0.00 0.00 52.55 54.21 1wgs s ASP 118 Cb -0.12 1.08 -0.00 0.00 -0.34 0.00 0.00 42.92 43.53 1wgs s ASP 118 CO 0.21 -0.03 0.26 1.55 0.68 0.00 0.00 175.17 177.84 1wgs h PRO 119 N 5.76 -0.01 -2.81 2.11 0.13 -2.10 -3.50 132.00 131.58 1wgs h PRO 119 Ca -0.23 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.96 1wgs h PRO 119 Cb 1.15 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.26 1wgs h PRO 119 CO 0.18 -0.01 0.37 -0.08 -0.23 0.00 0.00 178.00 178.24 1wgs s THR 120 N -1.55 0.00 0.19 1.56 -1.32 -1.26 -5.18 115.64 108.09 1wgs s THR 120 Ca -0.00 -0.86 0.05 0.00 -1.21 0.00 0.00 61.69 59.67 1wgs s THR 120 Cb 0.00 -2.66 -0.04 0.00 -1.51 0.00 0.00 72.50 68.29 1wgs s THR 120 CO 0.01 0.00 0.17 0.28 -2.21 0.00 0.00 174.62 172.87 1wgs s THR 121 N -2.61 4.56 -0.04 5.08 -1.32 -1.26 -5.12 115.64 114.93 1wgs s THR 121 Ca 0.16 -1.15 0.02 0.00 -1.21 0.00 0.00 61.69 59.51 1wgs s THR 121 Cb -0.04 -3.37 0.01 0.00 -1.51 0.00 0.00 72.50 67.59 1wgs s THR 121 CO 0.08 -0.19 -0.07 0.00 -2.21 0.00 0.00 174.62 172.24 1wgs s ALA 122 N -1.87 0.80 0.00 11.08 0.00 -1.26 -5.11 121.76 125.40 1wgs s ALA 122 Ca 0.32 -0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.08 1wgs s ALA 122 Cb -0.09 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1wgs s ALA 122 CO 0.24 0.06 0.00 0.00 0.00 0.00 0.00 175.76 176.07 1wgs n ALA 123 N 3.71 0.00 -2.85 0.00 0.00 -1.26 -5.11 120.51 115.00 1wgs n ALA 123 Ca -0.22 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.19 1wgs n ALA 123 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 1wgs n ALA 123 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgs n LEU 124 N 0.00 -5.52 -4.59 0.00 4.32 -1.26 -4.99 117.00 104.97 1wgs n LEU 124 Ca 0.00 1.55 -0.31 0.00 -0.02 0.00 0.00 56.01 57.23 1wgs n LEU 124 Cb 0.00 -2.46 -0.10 0.00 -1.62 0.00 0.00 43.42 39.23 1wgs n LEU 124 CO 0.00 -3.29 -0.40 -1.61 -1.22 0.00 0.00 177.39 170.87 1wgs s GLU 125 N -0.52 2.42 0.53 3.23 2.02 -1.26 -5.13 118.70 120.00 1wgs s GLU 125 Ca -0.13 -0.82 0.04 0.00 0.02 0.00 0.00 54.97 54.09 1wgs s GLU 125 Cb 0.01 -2.44 0.02 0.00 0.10 0.00 0.00 34.13 31.83 1wgs s GLU 125 CO 0.42 0.57 0.28 0.15 0.02 0.00 0.00 175.26 176.70 1wgs s LYS 126 N -1.65 2.24 0.31 1.61 -0.14 -1.26 -5.16 119.74 115.69 1wgs s LYS 126 Ca 0.18 -2.13 -0.16 0.00 -1.36 0.00 0.00 55.97 52.51 1wgs s LYS 126 Cb -0.11 -1.93 0.02 0.00 -1.68 0.00 0.00 37.83 34.13 1wgs s LYS 126 CO 0.09 -0.54 0.66 -2.00 -0.76 0.00 0.00 175.35 172.80 1wgs s GLU 127 N -4.16 1.89 0.28 1.68 2.12 -1.26 -5.19 118.70 114.06 1wgs s GLU 127 Ca 0.25 -1.27 -0.15 0.00 0.36 0.00 0.00 54.97 54.17 1wgs s GLU 127 Cb -0.01 0.57 0.01 0.00 0.26 0.00 0.00 34.13 34.96 1wgs s GLU 127 CO 0.16 -0.85 0.59 -1.12 -0.54 0.00 0.00 175.26 173.50 1wgs s SER 128 N -3.02 -0.03 -0.22 -1.70 0.01 -1.26 -5.18 113.70 102.30 1wgs s SER 128 Ca 0.17 -0.92 -0.15 0.00 1.31 0.00 0.00 55.95 56.36 1wgs s SER 128 Cb -0.04 0.67 0.06 0.00 0.21 0.00 0.00 66.02 66.93 1wgs s SER 128 CO 0.10 -1.29 0.56 -0.83 0.41 0.00 0.00 173.24 172.19 1wgs s GLY 129 N -3.02 -0.46 0.87 3.44 0.00 -1.26 -5.17 107.32 101.72 1wgs s GLY 129 Ca 0.19 1.85 -0.15 0.00 0.00 0.00 0.00 44.72 46.61 1wgs s GLY 129 CO 0.10 1.81 0.97 -1.55 0.00 0.00 0.00 173.10 174.43 1wgs n PRO 130 N 3.75 -1.84 -3.97 2.90 -0.04 -1.26 -5.11 135.00 129.43 1wgs n PRO 130 Ca -0.19 -1.52 -0.09 0.00 -0.04 0.00 0.00 63.50 61.67 1wgs n PRO 130 Cb 0.57 -1.19 -0.04 0.00 -0.04 0.00 0.00 33.50 32.79 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 -4.37 -0.10 0.23 3.54 1.04 -1.26 -5.19 113.70 107.58 1wgs s SER 131 Ca 0.58 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1wgs s SER 131 Cb -0.03 0.62 -0.04 0.00 0.10 0.00 0.00 66.02 66.67 1wgs s SER 131 CO 0.43 -1.20 0.13 -0.44 0.98 0.00 0.00 173.24 173.14 1wgs s SER 132 N -3.00 0.55 0.00 7.02 0.01 -1.26 -5.38 113.70 111.63 1wgs s SER 132 Ca 0.20 -1.41 0.00 0.00 1.31 0.00 0.00 55.95 56.05 1wgs s SER 132 Cb -0.02 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.54 1wgs s SER 132 CO 0.09 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.53