#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 3.05 -0.35 1.61 0.15 -1.26 -5.10 113.70 111.79 1wgs s SER 2 Ca 0.00 -0.51 -0.17 0.00 0.70 0.00 0.00 55.95 55.97 1wgs s SER 2 Cb 0.00 -0.32 -0.01 0.00 -1.71 0.00 0.00 66.02 63.99 1wgs s SER 2 CO 0.00 0.29 0.45 -0.94 1.20 0.00 0.00 173.24 174.24 1wgs s SER 3 N -0.83 6.26 0.00 5.45 1.04 -1.26 -4.84 113.70 119.52 1wgs s SER 3 Ca 0.10 -0.14 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1wgs s SER 3 Cb -0.10 -2.24 0.00 0.00 0.10 0.00 0.00 66.02 63.78 1wgs s SER 3 CO 0.00 -0.43 0.00 0.61 0.98 0.00 0.00 173.24 174.40 1wgs n GLY 4 N 4.87 -1.83 3.64 7.32 0.00 -1.26 -5.16 105.19 112.77 1wgs n GLY 4 Ca -0.07 0.79 0.02 0.00 0.00 0.00 0.00 46.02 46.77 1wgs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgs s SER 5 N 0.00 -0.08 -0.79 1.61 0.15 -1.26 -5.10 113.70 108.23 1wgs s SER 5 Ca 0.00 0.12 -0.22 0.00 0.70 0.00 0.00 55.95 56.56 1wgs s SER 5 Cb 0.00 1.03 0.08 0.00 -1.71 0.00 0.00 66.02 65.42 1wgs s SER 5 CO 0.00 -0.02 1.11 -0.44 1.20 0.00 0.00 173.24 175.09 1wgs s SER 6 N 1.06 6.35 0.00 5.45 0.01 -1.26 -4.79 113.70 120.52 1wgs s SER 6 Ca -0.08 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.88 1wgs s SER 6 Cb -0.02 -2.45 0.00 0.00 0.21 0.00 0.00 66.02 63.76 1wgs s SER 6 CO -0.10 -1.38 0.00 0.61 0.41 0.00 0.00 173.24 172.78 1wgs n GLY 7 N 5.58 3.44 0.17 3.44 0.00 -1.26 -5.04 105.19 111.53 1wgs n GLY 7 Ca 0.10 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1wgs n GLY 7 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wgs h GLU 8 N 0.00 -0.34 -6.39 1.61 4.39 -2.07 -3.39 114.58 108.39 1wgs h GLU 8 Ca 0.00 0.02 -0.55 0.00 0.34 0.00 0.00 59.36 59.17 1wgs h GLU 8 Cb 0.00 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1wgs h GLU 8 CO 0.00 -0.08 1.13 -1.25 -1.16 0.00 0.00 179.01 177.64 1wgs s PRO 9 N -5.25 3.30 0.08 2.33 0.04 -1.26 -4.99 135.00 129.25 1wgs s PRO 9 Ca -0.15 0.63 -0.15 0.00 0.04 0.00 0.00 61.00 61.37 1wgs s PRO 9 Cb 0.03 -4.13 -0.06 0.00 0.04 0.00 0.00 34.50 30.38 1wgs s PRO 9 CO 0.60 -1.92 0.49 -1.83 0.04 0.00 0.00 177.00 174.38 1wgs s GLU 10 N 5.53 3.97 0.32 4.56 -1.05 -1.26 -5.08 118.70 125.69 1wgs s GLU 10 Ca 0.57 0.47 0.04 0.00 -0.15 0.00 0.00 54.97 55.90 1wgs s GLU 10 Cb -0.12 -3.09 -0.03 0.00 -0.44 0.00 0.00 34.13 30.45 1wgs s GLU 10 CO 0.27 0.59 0.19 0.54 0.95 0.00 0.00 175.26 177.80 1wgs s VAL 11 N -1.27 0.24 0.09 1.83 0.11 -1.26 -5.16 120.40 114.97 1wgs s VAL 11 Ca 0.31 -2.00 -0.26 0.00 -2.93 0.00 0.00 61.98 57.10 1wgs s VAL 11 Cb -0.16 -2.48 0.07 0.00 -1.53 0.00 0.00 36.38 32.28 1wgs s VAL 11 CO 0.17 0.00 0.63 -0.89 -3.33 0.00 0.00 175.10 171.68 1wgs s THR 12 N -3.52 0.00 0.11 5.04 2.01 -1.26 -5.17 115.64 112.84 1wgs s THR 12 Ca 0.35 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.45 1wgs s THR 12 Cb 0.04 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.51 1wgs s THR 12 CO 0.20 0.00 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.20 1wgs s VAL 13 N -2.86 2.45 0.02 3.82 1.01 -1.26 -5.01 120.40 118.57 1wgs s VAL 13 Ca -0.03 -1.58 0.08 0.00 0.00 0.00 0.00 61.98 60.44 1wgs s VAL 13 Cb -0.01 -2.07 -0.02 0.00 0.00 0.00 0.00 36.38 34.28 1wgs s VAL 13 CO -0.05 0.16 -0.23 -1.61 0.00 0.00 0.00 175.10 173.37 1wgs s GLU 14 N -1.90 1.63 0.23 2.72 2.02 -1.26 -5.13 118.70 117.01 1wgs s GLU 14 Ca 0.15 -0.93 -0.08 0.00 0.02 0.00 0.00 54.97 54.13 1wgs s GLU 14 Cb -0.10 -1.70 -0.07 0.00 0.10 0.00 0.00 34.13 32.36 1wgs s GLU 14 CO 0.06 0.45 0.54 0.42 0.02 0.00 0.00 175.26 176.75 1wgs s ILE 15 N -0.70 4.97 0.00 -1.63 -1.09 -1.26 -4.03 121.20 117.46 1wgs s ILE 15 Ca 0.09 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.87 1wgs s ILE 15 Cb -0.09 -3.64 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1wgs s ILE 15 CO 0.01 -0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.22 1wgs n GLY 16 N -0.27 3.17 3.95 6.18 0.00 -0.95 -5.02 105.19 112.24 1wgs n GLY 16 Ca -0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.45 2.90 -0.14 1.61 0.41 -1.26 -4.85 118.70 116.92 1wgs s GLU 17 Ca 0.00 -0.44 -0.05 0.00 -0.41 0.00 0.00 54.97 54.07 1wgs s GLU 17 Cb 0.00 -2.47 -0.03 0.00 -1.78 0.00 0.00 34.13 29.84 1wgs s GLU 17 CO 0.00 -0.48 0.02 0.99 -0.49 0.00 0.00 175.26 175.30 1wgs s THR 18 N -2.71 4.39 0.19 3.63 2.01 -1.26 -1.58 115.64 120.31 1wgs s THR 18 Ca 0.52 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.40 1wgs s THR 18 Cb -0.10 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.44 1wgs s THR 18 CO 0.40 0.52 -0.15 -0.31 -0.69 0.00 0.00 174.62 174.39 1wgs s TYR 19 N -0.04 1.67 -0.19 4.92 1.51 0.06 -4.91 117.35 120.37 1wgs s TYR 19 Ca 0.04 -0.57 -0.24 0.00 -1.01 0.00 0.00 57.07 55.30 1wgs s TYR 19 Cb -0.13 -0.79 -0.02 0.00 -0.11 0.00 0.00 41.96 40.91 1wgs s TYR 19 CO 0.02 0.32 0.77 -0.51 -1.11 0.00 0.00 175.55 175.03 1wgs s LEU 20 N -3.13 4.15 -0.17 -1.29 2.01 -1.26 0.17 118.68 119.17 1wgs s LEU 20 Ca 0.20 1.05 -0.04 0.00 0.01 0.00 0.00 54.13 55.35 1wgs s LEU 20 Cb -0.02 -3.12 -0.03 0.00 0.01 0.00 0.00 46.19 43.03 1wgs s LEU 20 CO 0.06 -0.38 -0.02 0.00 1.01 0.00 0.00 176.35 177.03 1wgs n ARG 22 N 3.66 2.43 -3.67 0.00 0.63 -0.24 -1.88 116.66 117.59 1wgs n ARG 22 Ca -0.17 0.85 -0.21 0.00 -0.92 0.00 0.00 57.85 57.40 1wgs n ARG 22 Cb 0.52 -2.52 -0.18 0.00 0.45 0.00 0.00 32.46 30.73 1wgs n ARG 22 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1wgs s ARG 23 N -1.82 -0.02 -1.21 -0.14 0.52 -1.23 -4.88 118.95 110.18 1wgs s ARG 23 Ca 0.56 0.30 -0.08 0.00 -0.52 0.00 0.00 55.73 55.99 1wgs s ARG 23 Cb -0.52 -0.71 -0.07 0.00 0.52 0.00 0.00 34.95 34.17 1wgs s ARG 23 CO 0.61 -0.37 2.45 -0.35 0.02 0.00 0.00 175.30 177.66 1wgs n PRO 24 N 5.29 2.74 0.00 3.54 -0.04 -1.26 -3.54 135.00 141.73 1wgs n PRO 24 Ca -0.04 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.63 1wgs n PRO 24 Cb 0.50 -2.63 0.00 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.10 0.01 0.00 3.54 9.92 -1.26 -5.05 116.55 127.82 1wgs n ASP 25 Ca 0.59 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.86 1wgs n ASP 25 Cb 0.19 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wgs n SER 26 N -2.76 0.00 -0.65 -2.24 3.41 -1.23 -5.16 113.62 104.98 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wgs n SER 26 Cb 0.23 0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wgs n THR 27 N -2.18 0.00 -1.99 6.66 -2.24 -1.25 -5.08 114.28 108.20 1wgs n THR 27 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 1wgs n THR 27 Cb 0.00 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.24 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wgs s TRP 28 N -6.16 3.33 -0.06 4.78 0.52 -1.26 -3.48 118.94 116.61 1wgs s TRP 28 Ca 0.00 1.42 -0.01 0.00 0.02 0.00 0.00 56.10 57.52 1wgs s TRP 28 Cb 0.00 -2.84 0.03 0.00 -1.15 0.00 0.00 33.47 29.51 1wgs s TRP 28 CO 0.00 -0.81 0.02 -1.01 0.02 0.00 0.00 176.95 175.17 1wgs s HIS 29 N -2.84 0.50 0.30 -1.98 3.76 -0.79 -4.92 115.29 109.33 1wgs s HIS 29 Ca 0.59 -0.05 -0.26 0.00 -0.15 0.00 0.00 55.06 55.18 1wgs s HIS 29 Cb -0.12 -0.71 -0.14 0.00 1.11 0.00 0.00 32.58 32.71 1wgs s HIS 29 CO 0.44 -0.29 0.72 -1.13 -0.85 0.00 0.00 174.74 173.63 1wgs n SER 30 N 5.17 -0.15 -3.68 1.40 3.41 -1.26 -2.54 113.62 115.98 1wgs n SER 30 Ca -0.06 1.08 -0.09 0.00 -0.26 0.00 0.00 58.87 59.53 1wgs n SER 30 Cb 0.50 -1.13 -0.10 0.00 -0.26 0.00 0.00 64.21 63.22 1wgs n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wgs s ALA 31 N -1.17 -1.13 0.02 7.33 0.00 0.13 -3.99 121.76 122.95 1wgs s ALA 31 Ca 0.61 1.56 -0.30 0.00 0.00 0.00 0.00 51.96 53.83 1wgs s ALA 31 Cb -0.74 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.23 1wgs s ALA 31 CO 0.58 -0.47 1.10 -1.83 0.00 0.00 0.00 175.76 175.15 1wgs s GLU 32 N 1.91 4.48 -0.71 0.00 -1.05 0.91 -0.76 118.70 123.47 1wgs s GLU 32 Ca -0.06 1.61 -0.27 0.00 -0.15 0.00 0.00 54.97 56.10 1wgs s GLU 32 Cb -0.10 -3.41 0.03 0.00 -0.44 0.00 0.00 34.13 30.21 1wgs s GLU 32 CO -0.13 -0.19 1.32 0.08 0.95 0.00 0.00 175.26 177.29 1wgs s VAL 33 N 1.14 3.72 0.03 1.83 1.01 -0.61 0.13 120.40 127.65 1wgs s VAL 33 Ca 0.55 0.45 -0.24 0.00 0.00 0.00 0.00 61.98 62.74 1wgs s VAL 33 Cb -0.25 -4.83 -0.13 0.00 0.00 0.00 0.00 36.38 31.17 1wgs s VAL 33 CO 0.28 -1.73 1.25 0.40 0.00 0.00 0.00 175.10 175.30 1wgs h ILE 34 N 6.11 0.00 -2.90 2.22 1.08 0.14 -2.53 117.51 121.62 1wgs h ILE 34 Ca -0.28 -0.07 -0.10 0.00 -0.39 0.00 0.00 64.86 64.02 1wgs h ILE 34 Cb 1.06 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1wgs h ILE 34 CO 1.27 0.00 0.02 0.00 -0.69 0.00 0.00 178.15 178.74 1wgs n GLN 35 N -4.51 0.51 -4.39 2.37 1.13 -1.20 -4.53 117.38 106.76 1wgs n GLN 35 Ca -0.11 -1.46 -0.20 0.00 -1.94 0.00 0.00 57.00 53.30 1wgs n GLN 35 Cb 0.34 1.56 -0.10 0.00 0.11 0.00 0.00 30.24 32.14 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 -2.21 2.63 0.18 1.08 1.04 -1.26 -0.24 113.70 114.91 1wgs s SER 36 Ca 0.13 -1.12 -0.23 0.00 0.48 0.00 0.00 55.95 55.22 1wgs s SER 36 Cb -0.02 -0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.02 1wgs s SER 36 CO 0.10 -0.28 0.66 0.00 0.98 0.00 0.00 173.24 174.71 1wgs s ARG 37 N -3.70 1.37 -0.02 4.02 1.70 -0.91 -4.92 118.95 116.49 1wgs s ARG 37 Ca 0.26 -0.60 0.06 0.00 -0.47 0.00 0.00 55.73 54.99 1wgs s ARG 37 Cb 0.02 0.57 -0.01 0.00 -0.57 0.00 0.00 34.95 34.96 1wgs s ARG 37 CO 0.10 -0.61 -0.20 0.08 -1.08 0.00 0.00 175.30 173.58 1wgs s VAL 38 N -3.73 1.61 -0.29 4.99 1.01 -1.26 -1.41 120.40 121.32 1wgs s VAL 38 Ca 0.04 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 61.03 1wgs s VAL 38 Cb -0.02 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1wgs s VAL 38 CO -0.07 0.46 0.26 0.20 0.00 0.00 0.00 175.10 175.94 1wgs s ASN 39 N -0.44 6.10 0.31 3.32 -0.87 0.26 -4.93 114.94 118.69 1wgs s ASN 39 Ca 0.07 0.02 0.22 0.00 -1.57 0.00 0.00 52.86 51.60 1wgs s ASN 39 Cb -0.08 -2.15 0.16 0.00 -0.02 0.00 0.00 41.25 39.15 1wgs s ASN 39 CO -0.01 -0.13 1.33 0.44 -2.57 0.00 0.00 177.10 176.17 1wgs h ASP 40 N 8.33 0.00 0.00 -1.22 3.32 -1.96 0.97 116.42 125.87 1wgs h ASP 40 Ca -0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1wgs h ASP 40 Cb 1.18 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.72 1wgs h ASP 40 CO 0.59 0.07 -0.11 -0.61 -1.72 0.00 0.00 179.24 177.46 1wgs h GLN 41 N 0.00 0.00 0.01 3.56 4.15 -1.97 -3.37 115.11 117.49 1wgs h GLN 41 Ca -0.01 0.00 -0.19 0.00 0.77 0.00 0.00 58.65 59.22 1wgs h GLN 41 Cb 1.06 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.73 1wgs h GLN 41 CO 0.01 0.28 -0.89 0.93 -1.93 0.00 0.00 178.83 177.22 1wgs h GLU 42 N -1.00 0.05 -3.42 1.69 4.39 -1.99 -3.48 114.58 110.82 1wgs h GLU 42 Ca -0.02 -0.07 -0.07 0.00 0.34 0.00 0.00 59.36 59.55 1wgs h GLU 42 Cb 0.35 0.02 0.05 0.00 -0.10 0.00 0.00 28.75 29.07 1wgs h GLU 42 CO -0.01 0.91 -0.21 0.41 -1.16 0.00 0.00 179.01 178.95 1wgs n GLY 43 N 0.99 0.34 3.44 -3.84 0.00 0.31 -5.06 105.19 101.37 1wgs n GLY 43 Ca -0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.65 1.26 0.25 1.61 0.52 -1.06 -4.97 118.95 112.91 1wgs s ARG 44 Ca 0.08 -0.83 -0.01 0.00 -0.52 0.00 0.00 55.73 54.45 1wgs s ARG 44 Cb -0.01 0.49 -0.04 0.00 0.52 0.00 0.00 34.95 35.91 1wgs s ARG 44 CO 0.19 -0.52 0.45 -1.21 0.02 0.00 0.00 175.30 174.23 1wgs s GLU 45 N -3.86 3.53 0.27 3.54 2.02 -1.26 -0.57 118.70 122.37 1wgs s GLU 45 Ca 0.08 -0.30 -0.11 0.00 0.02 0.00 0.00 54.97 54.66 1wgs s GLU 45 Cb 0.00 -2.78 -0.00 0.00 0.10 0.00 0.00 34.13 31.46 1wgs s GLU 45 CO -0.06 0.32 0.49 -1.21 0.02 0.00 0.00 175.26 174.82 1wgs s GLU 46 N -3.58 1.66 -0.18 1.61 2.02 -0.50 -4.66 118.70 115.06 1wgs s GLU 46 Ca 0.39 -1.38 -0.08 0.00 0.02 0.00 0.00 54.97 53.93 1wgs s GLU 46 Cb -0.11 0.47 0.08 0.00 0.10 0.00 0.00 34.13 34.67 1wgs s GLU 46 CO 0.30 -0.69 0.41 -0.06 0.02 0.00 0.00 175.26 175.24 1wgs s PHE 47 N -3.71 -0.71 -0.77 1.61 0.40 -0.41 -2.15 117.98 112.24 1wgs s PHE 47 Ca 0.24 1.41 -0.25 0.00 -0.60 0.00 0.00 56.93 57.73 1wgs s PHE 47 Cb -0.01 0.27 -0.03 0.00 0.51 0.00 0.00 43.02 43.77 1wgs s PHE 47 CO 0.12 -0.43 1.84 -0.47 0.70 0.00 0.00 175.22 176.98 1wgs s TYR 48 N 2.20 1.81 -0.07 0.36 5.04 0.67 -1.10 117.35 126.25 1wgs s TYR 48 Ca -0.04 0.58 -0.11 0.00 -2.44 0.00 0.00 57.07 55.06 1wgs s TYR 48 Cb -0.11 -4.14 -0.05 0.00 0.35 0.00 0.00 41.96 38.02 1wgs s TYR 48 CO -0.13 -2.03 0.27 0.14 -1.34 0.00 0.00 175.55 172.46 1wgs s VAL 49 N 9.08 5.27 -0.20 3.14 -7.23 -1.05 0.17 120.40 129.58 1wgs s VAL 49 Ca 0.65 0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 61.31 1wgs s VAL 49 Cb -0.09 -3.56 -0.02 0.00 0.56 0.00 0.00 36.38 33.27 1wgs s VAL 49 CO 0.09 0.59 -0.03 -2.28 -0.31 0.00 0.00 175.10 173.16 1wgs s HIS 50 N -0.96 2.98 -0.95 2.82 2.46 0.34 -3.77 115.29 118.21 1wgs s HIS 50 Ca 0.19 -0.64 -0.24 0.00 0.47 0.00 0.00 55.06 54.84 1wgs s HIS 50 Cb -0.14 -2.06 0.05 0.00 -0.13 0.00 0.00 32.58 30.30 1wgs s HIS 50 CO 0.08 -0.34 1.40 0.71 -2.47 0.00 0.00 174.74 174.12 1wgs s TYR 51 N 1.07 2.50 0.40 3.88 2.02 -1.23 -0.06 117.35 125.92 1wgs s TYR 51 Ca 0.01 -0.69 0.16 0.00 -0.37 0.00 0.00 57.07 56.18 1wgs s TYR 51 Cb -0.15 -4.67 1.03 0.00 -0.40 0.00 0.00 41.96 37.78 1wgs s TYR 51 CO 0.00 -1.95 1.83 -0.39 -1.57 0.00 0.00 175.55 173.47 1wgs h VAL 52 N 6.59 0.66 -1.17 0.71 -1.51 -1.93 -1.75 116.25 117.86 1wgs h VAL 52 Ca 0.09 -0.16 -0.70 0.00 -1.23 0.00 0.00 66.70 64.70 1wgs h VAL 52 Cb 1.02 0.15 -0.14 0.00 -2.13 0.00 0.00 31.29 30.19 1wgs h VAL 52 CO 1.38 0.09 1.98 0.61 -1.23 0.00 0.00 177.57 180.40 1wgs n GLY 53 N -1.48 5.08 0.00 5.19 0.00 -1.26 -4.86 105.19 107.86 1wgs n GLY 53 Ca 0.21 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.19 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 1.50 0.00 -0.37 1.61 3.72 -0.66 -5.08 117.46 118.19 1wgs n PHE 54 Ca 0.59 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.85 1wgs n PHE 54 Cb 0.31 0.00 0.14 0.00 -0.94 0.00 0.00 39.48 38.98 1wgs n PHE 54 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1wgs n ASN 55 N 0.00 -2.87 0.11 4.37 3.02 -1.26 -4.87 115.26 113.77 1wgs n ASN 55 Ca 0.00 -0.41 0.01 0.00 -0.03 0.00 0.00 54.58 54.15 1wgs n ASN 55 Cb 0.00 -0.64 -0.01 0.00 -0.61 0.00 0.00 39.78 38.52 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 -0.03 3.52 9.65 -1.98 -3.22 114.38 122.32 1wgs h ARG 56 Ca -0.18 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.69 1wgs h ARG 56 Cb 0.62 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 29.20 1wgs h ARG 56 CO 0.11 0.52 -0.01 0.07 2.80 0.00 0.00 179.97 183.46 1wgs h ARG 57 N 0.00 0.04 -4.27 0.20 0.11 -1.99 -3.28 114.38 105.19 1wgs h ARG 57 Ca -0.03 -0.00 -0.64 0.00 0.10 0.00 0.00 59.98 59.40 1wgs h ARG 57 Cb 1.46 -0.01 0.03 0.00 1.11 0.00 0.00 29.97 32.56 1wgs h ARG 57 CO 0.07 0.05 2.51 1.28 0.10 0.00 0.00 179.97 183.98 1wgs n LEU 58 N -4.50 4.76 -3.66 0.08 7.99 -1.22 -4.74 117.00 115.71 1wgs n LEU 58 Ca -0.03 -3.15 -0.28 0.00 -0.01 0.00 0.00 56.01 52.55 1wgs n LEU 58 Cb 0.11 -1.22 -0.16 0.00 -0.11 0.00 0.00 43.42 42.04 1wgs n LEU 58 CO 0.34 0.04 -0.34 1.51 -1.51 0.00 0.00 177.39 177.43 1wgs s ASP 59 N 4.48 3.09 0.20 -1.43 1.47 -1.24 -3.50 116.67 119.74 1wgs s ASP 59 Ca 0.54 -1.00 -0.14 0.00 1.18 0.00 0.00 52.55 53.13 1wgs s ASP 59 Cb 0.14 -0.50 0.01 0.00 -0.34 0.00 0.00 42.92 42.23 1wgs s ASP 59 CO 0.06 -0.36 0.45 -1.83 0.68 0.00 0.00 175.17 174.17 1wgs s GLU 60 N 1.94 1.38 0.45 2.11 -1.05 -1.25 -5.06 118.70 117.22 1wgs s GLU 60 Ca 0.04 -1.05 -0.10 0.00 -0.15 0.00 0.00 54.97 53.70 1wgs s GLU 60 Cb -0.17 0.47 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 1wgs s GLU 60 CO -0.17 -0.57 0.82 -1.58 0.95 0.00 0.00 175.26 174.71 1wgs s TRP 61 N -3.94 3.50 0.33 4.83 0.52 -1.26 -2.54 118.94 120.38 1wgs s TRP 61 Ca 0.15 1.06 0.05 0.00 0.02 0.00 0.00 56.10 57.38 1wgs s TRP 61 Cb 0.00 -2.47 -0.02 0.00 -1.15 0.00 0.00 33.47 29.83 1wgs s TRP 61 CO 0.01 -0.21 0.18 1.33 0.02 0.00 0.00 176.95 178.28 1wgs n VAL 62 N -1.63 0.00 -4.12 4.03 0.24 -0.26 -4.86 118.33 111.72 1wgs n VAL 62 Ca 0.03 -2.14 -0.23 0.00 -2.04 0.00 0.00 64.34 59.96 1wgs n VAL 62 Cb 0.54 0.90 -0.07 0.00 -1.47 0.00 0.00 33.84 33.74 1wgs n VAL 62 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wgs s ASP 63 N -3.16 4.63 0.25 -1.34 1.11 -1.26 -1.29 116.67 115.61 1wgs s ASP 63 Ca 0.26 -0.79 -0.05 0.00 0.18 0.00 0.00 52.55 52.14 1wgs s ASP 63 Cb 0.01 -0.71 0.27 0.00 1.07 0.00 0.00 42.92 43.57 1wgs s ASP 63 CO 0.18 -0.29 1.86 0.11 1.18 0.00 0.00 175.17 178.21 1wgs h LYS 64 N 1.57 1.15 -0.29 8.23 1.57 -1.92 -1.66 116.57 125.23 1wgs h LYS 64 Ca -0.44 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.17 1wgs h LYS 64 Cb 1.25 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 1wgs h LYS 64 CO 0.64 0.87 0.10 -0.97 -0.57 0.00 0.00 179.45 179.51 1wgs h ASN 65 N 1.15 0.42 -0.09 0.86 -1.24 -1.97 -1.87 115.58 112.83 1wgs h ASN 65 Ca 0.28 -0.19 0.03 0.00 0.71 0.00 0.00 56.30 57.13 1wgs h ASN 65 Cb 0.07 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 1wgs h ASN 65 CO -0.04 0.50 0.10 0.03 -1.29 0.00 0.00 177.43 176.72 1wgs h ARG 66 N 0.31 0.00 -7.12 6.67 3.08 -1.82 -3.42 114.38 112.09 1wgs h ARG 66 Ca 0.09 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.68 1wgs h ARG 66 Cb 0.22 0.00 0.08 0.00 0.08 0.00 0.00 29.97 30.35 1wgs h ARG 66 CO -0.00 0.00 0.11 -0.51 -1.07 0.00 0.00 179.97 178.49 1wgs s LEU 67 N -7.82 3.00 -0.35 3.04 1.43 -0.67 -1.07 118.68 116.24 1wgs s LEU 67 Ca -0.05 -0.20 -0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1wgs s LEU 67 Cb 0.15 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 44.21 1wgs s LEU 67 CO 0.56 -1.77 0.09 0.00 0.23 0.00 0.00 176.35 175.46 1wgs s ALA 68 N -3.13 2.96 -0.42 4.21 0.00 -0.92 -4.93 121.76 119.54 1wgs s ALA 68 Ca 0.65 -2.12 -0.02 0.00 0.00 0.00 0.00 51.96 50.46 1wgs s ALA 68 Cb -0.06 -2.14 0.11 0.00 0.00 0.00 0.00 23.12 21.03 1wgs s ALA 68 CO 0.44 -1.51 0.20 -0.51 0.00 0.00 0.00 175.76 174.38 1wgs s LEU 69 N 1.19 5.19 0.00 0.00 1.43 -1.26 -4.68 118.68 120.54 1wgs s LEU 69 Ca 0.01 -2.11 0.00 0.00 -1.03 0.00 0.00 54.13 51.00 1wgs s LEU 69 Cb -0.21 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.21 1wgs s LEU 69 CO -0.03 -0.51 0.00 0.41 0.23 0.00 0.00 176.35 176.45 1wgs n THR 70 N 4.47 0.00 -1.90 5.49 -1.04 -1.26 -4.55 114.28 115.48 1wgs n THR 70 Ca -0.01 0.00 -0.23 0.00 -2.04 0.00 0.00 64.05 61.77 1wgs n THR 70 Cb 0.41 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 1wgs n THR 70 CO 0.00 0.00 0.00 -1.59 -0.64 0.00 0.00 175.07 172.84 1wgs s LYS 71 N -3.07 2.02 0.00 -2.82 -2.85 -1.26 -4.49 119.74 107.26 1wgs s LYS 71 Ca 0.00 -0.89 0.00 0.00 -1.00 0.00 0.00 55.97 54.08 1wgs s LYS 71 Cb 0.00 -5.14 0.00 0.00 -2.06 0.00 0.00 37.83 30.63 1wgs s LYS 71 CO 0.00 -4.53 0.00 2.41 0.10 0.00 0.00 175.35 173.33 1wgs n THR 72 N 8.25 0.00 0.02 3.79 -1.04 -1.26 -4.88 114.28 119.17 1wgs n THR 72 Ca 0.44 0.15 -0.22 0.00 -2.04 0.00 0.00 64.05 62.38 1wgs n THR 72 Cb 0.47 -1.05 -0.14 0.00 -1.82 0.00 0.00 70.33 67.78 1wgs n THR 72 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 1wgs h VAL 73 N 0.00 0.71 -5.85 12.58 -1.51 -1.94 -3.49 116.25 116.75 1wgs h VAL 73 Ca 0.00 -2.40 -0.06 0.00 -1.23 0.00 0.00 66.70 63.01 1wgs h VAL 73 Cb 0.00 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 31.74 1wgs h VAL 73 CO 0.00 0.89 -0.93 0.29 -1.23 0.00 0.00 177.57 176.59 1wgs n LYS 74 N -3.51 -0.49 -0.34 5.19 4.76 -1.26 -4.74 118.16 117.77 1wgs n LYS 74 Ca -0.30 0.78 -0.04 0.00 -2.87 0.00 0.00 58.31 55.89 1wgs n LYS 74 Cb 1.06 -1.03 0.01 0.00 -1.84 0.00 0.00 35.03 33.22 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 3.06 -1.51 -0.51 4.39 3.58 -2.00 -3.40 116.42 120.03 1wgs h ASP 75 Ca -0.09 0.29 0.19 0.00 0.42 0.00 0.00 57.03 57.84 1wgs h ASP 75 Cb 0.96 0.75 -0.21 0.00 1.72 0.00 0.00 39.33 42.56 1wgs h ASP 75 CO 0.04 -0.29 -0.02 0.00 -2.88 0.00 0.00 179.24 176.09 1wgs s ALA 76 N -5.88 -3.21 0.48 -0.78 0.00 -1.26 -5.01 121.76 106.11 1wgs s ALA 76 Ca -0.14 1.47 0.35 0.00 0.00 0.00 0.00 51.96 53.65 1wgs s ALA 76 Cb 0.18 -2.49 1.49 0.00 0.00 0.00 0.00 23.12 22.29 1wgs s ALA 76 CO 0.69 -1.57 1.66 -0.24 0.00 0.00 0.00 175.76 176.30 1wgs h VAL 77 N 5.39 0.19 -2.39 0.00 3.04 -1.92 -3.46 116.25 117.10 1wgs h VAL 77 Ca -0.14 -0.03 0.27 0.00 -1.01 0.00 0.00 66.70 65.79 1wgs h VAL 77 Cb 1.17 0.10 -0.08 0.00 -2.01 0.00 0.00 31.29 30.47 1wgs h VAL 77 CO -0.00 0.02 -0.46 0.00 -1.01 0.00 0.00 177.57 176.11 1wgs n GLN 78 N -4.41 -2.08 -2.36 4.17 1.13 -1.26 -4.99 117.38 107.58 1wgs n GLN 78 Ca 0.36 1.44 -0.05 0.00 -1.94 0.00 0.00 57.00 56.81 1wgs n GLN 78 Cb 1.48 -2.58 -0.04 0.00 0.11 0.00 0.00 30.24 29.21 1wgs n GLN 78 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 1wgs n LYS 79 N -3.28 -3.66 -0.30 -1.09 5.02 -1.26 -4.52 118.16 109.07 1wgs n LYS 79 Ca -0.01 2.86 0.10 0.00 -2.02 0.00 0.00 58.31 59.25 1wgs n LYS 79 Cb 0.62 -4.23 0.27 0.00 -0.02 0.00 0.00 35.03 31.67 1wgs n LYS 79 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 1wgs h ASN 80 N 3.23 0.38 0.67 4.39 7.08 -1.99 -0.92 115.58 128.42 1wgs h ASN 80 Ca -0.46 0.13 -0.03 0.00 -3.08 0.00 0.00 56.30 52.86 1wgs h ASN 80 Cb 1.03 0.09 0.01 0.00 -2.08 0.00 0.00 38.32 37.37 1wgs h ASN 80 CO 0.01 0.08 -0.33 -1.28 -2.08 0.00 0.00 177.43 173.83 1wgs h SER 81 N 0.47 -0.79 -0.09 6.14 0.87 -1.98 -3.25 113.55 114.93 1wgs h SER 81 Ca 0.51 0.03 -0.67 0.00 -1.23 0.00 0.00 61.79 60.44 1wgs h SER 81 Cb 0.88 0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 1wgs h SER 81 CO -0.46 -0.56 2.64 -0.62 -0.53 0.00 0.00 176.83 177.30 1wgs n GLU 82 N -5.49 2.28 -3.82 2.24 4.71 -0.35 -4.78 120.64 115.43 1wgs n GLU 82 Ca -0.14 -2.35 -0.09 0.00 -0.01 0.00 0.00 57.16 54.58 1wgs n GLU 82 Cb 0.37 -3.18 0.02 0.00 -1.01 0.00 0.00 31.44 27.64 1wgs n GLU 82 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 1wgs s LYS 83 N 4.15 2.18 0.93 3.49 2.20 -1.23 -4.66 119.74 126.80 1wgs s LYS 83 Ca 0.53 -1.40 -0.13 0.00 -0.36 0.00 0.00 55.97 54.61 1wgs s LYS 83 Cb 0.13 0.62 0.15 0.00 -1.51 0.00 0.00 37.83 37.22 1wgs s LYS 83 CO 0.02 -1.01 1.14 -0.47 -0.36 0.00 0.00 175.35 174.67 1wgs s TYR 84 N -2.51 2.35 -0.48 4.03 6.14 -1.26 -4.83 117.35 120.79 1wgs s TYR 84 Ca 0.15 0.81 -0.43 0.00 0.64 0.00 0.00 57.07 58.24 1wgs s TYR 84 Cb -0.05 -3.43 -0.18 0.00 0.42 0.00 0.00 41.96 38.72 1wgs s TYR 84 CO 0.11 -2.47 1.88 1.28 0.64 0.00 0.00 175.55 176.99 1wgs n LEU 85 N -3.83 0.86 -3.94 6.97 4.77 -1.26 -4.86 117.00 115.71 1wgs n LEU 85 Ca 0.07 0.81 -0.09 0.00 -0.03 0.00 0.00 56.01 56.77 1wgs n LEU 85 Cb 0.59 -0.85 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1wgs n LEU 85 CO 0.56 -0.76 0.30 -0.55 -1.33 0.00 0.00 177.39 175.61 1wgs s SER 86 N 4.82 -0.11 -0.00 -1.43 0.15 -1.26 -5.18 113.70 110.69 1wgs s SER 86 Ca 1.10 -0.85 -0.20 0.00 0.70 0.00 0.00 55.95 56.71 1wgs s SER 86 Cb -1.43 0.65 0.06 0.00 -1.71 0.00 0.00 66.02 63.60 1wgs s SER 86 CO 0.68 -1.25 0.89 -1.84 1.20 0.00 0.00 173.24 172.92 1wgs n GLU 87 N -0.42 0.15 -3.73 5.44 0.28 -1.26 -5.12 120.64 115.98 1wgs n GLU 87 Ca -0.03 -0.58 -0.23 0.00 -0.16 0.00 0.00 57.16 56.16 1wgs n GLU 87 Cb 0.61 0.94 -0.02 0.00 1.43 0.00 0.00 31.44 34.40 1wgs n GLU 87 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 1wgs s LEU 88 N 0.00 3.09 0.34 -1.84 1.02 -1.26 -5.15 118.68 114.88 1wgs s LEU 88 Ca 0.21 -0.98 -0.06 0.00 0.02 0.00 0.00 54.13 53.32 1wgs s LEU 88 Cb -0.01 -1.64 0.01 0.00 0.02 0.00 0.00 46.19 44.58 1wgs s LEU 88 CO -0.00 -0.84 0.53 0.00 0.02 0.00 0.00 176.35 176.06 1wgs s ALA 89 N -2.61 0.37 -0.76 4.21 0.00 -1.26 -5.10 121.76 116.62 1wgs s ALA 89 Ca 0.43 -1.30 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 1wgs s ALA 89 Cb -0.02 1.06 0.09 0.00 0.00 0.00 0.00 23.12 24.25 1wgs s ALA 89 CO 0.25 -0.83 1.02 -2.00 0.00 0.00 0.00 175.76 174.20 1wgs s GLU 90 N -3.06 3.28 0.97 0.00 2.12 -1.26 -5.02 118.70 115.73 1wgs s GLU 90 Ca 0.27 -1.18 -0.14 0.00 0.36 0.00 0.00 54.97 54.28 1wgs s GLU 90 Cb -0.01 -4.50 0.03 0.00 0.26 0.00 0.00 34.13 29.91 1wgs s GLU 90 CO 0.17 -1.80 0.27 1.04 -0.54 0.00 0.00 175.26 174.40 1wgs n GLN 91 N 7.28 -0.40 -2.38 4.30 6.02 -1.26 -4.85 117.38 126.08 1wgs n GLN 91 Ca 0.06 -0.08 -0.43 0.00 -0.01 0.00 0.00 57.00 56.54 1wgs n GLN 91 Cb 0.47 -1.78 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 1wgs n GLN 91 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1wgs s PRO 92 N -3.50 3.94 0.17 -1.09 0.04 -1.26 -4.99 135.00 128.32 1wgs s PRO 92 Ca 0.55 1.35 -0.02 0.00 0.04 0.00 0.00 61.00 62.93 1wgs s PRO 92 Cb -0.20 -3.88 -0.04 0.00 0.04 0.00 0.00 34.50 30.42 1wgs s PRO 92 CO 0.68 -1.09 0.13 -1.83 0.04 0.00 0.00 177.00 174.94 1wgs s GLU 93 N 4.14 1.11 -0.01 4.56 -1.05 -1.26 -5.17 118.70 121.02 1wgs s GLU 93 Ca 0.58 -1.51 -0.30 0.00 -0.15 0.00 0.00 54.97 53.59 1wgs s GLU 93 Cb -0.18 0.28 0.11 0.00 -0.44 0.00 0.00 34.13 33.89 1wgs s GLU 93 CO 0.23 -0.36 1.10 0.50 0.95 0.00 0.00 175.26 177.68 1wgs s ARG 94 N -4.10 0.67 -0.28 -4.83 3.52 -1.26 -5.18 118.95 107.50 1wgs s ARG 94 Ca 0.31 -0.33 -0.20 0.00 -0.13 0.00 0.00 55.73 55.38 1wgs s ARG 94 Cb 0.07 0.26 0.10 0.00 -1.56 0.00 0.00 34.95 33.82 1wgs s ARG 94 CO 0.07 -0.30 0.85 -1.59 -0.81 0.00 0.00 175.30 173.51 1wgs s LYS 95 N -2.80 0.62 0.30 5.12 -2.85 -1.26 -5.17 119.74 113.69 1wgs s LYS 95 Ca 0.11 0.89 0.09 0.00 -1.00 0.00 0.00 55.97 56.05 1wgs s LYS 95 Cb 0.01 0.22 -0.04 0.00 -2.06 0.00 0.00 37.83 35.95 1wgs s LYS 95 CO -0.04 -0.10 0.09 0.42 0.10 0.00 0.00 175.35 175.82 1wgs s ILE 96 N 0.92 3.38 0.24 3.79 1.09 -1.26 -5.14 121.20 124.23 1wgs s ILE 96 Ca -0.04 -1.75 -0.22 0.00 -1.10 0.00 0.00 60.65 57.54 1wgs s ILE 96 Cb -0.05 -2.97 0.04 0.00 -1.06 0.00 0.00 42.46 38.42 1wgs s ILE 96 CO -0.10 -0.28 0.84 0.28 -0.10 0.00 0.00 174.94 175.57 1wgs s THR 97 N -2.35 0.00 0.06 2.92 -1.32 -1.26 -5.19 115.64 108.51 1wgs s THR 97 Ca 0.34 -0.85 -0.28 0.00 -1.21 0.00 0.00 61.69 59.70 1wgs s THR 97 Cb -0.05 -2.20 0.09 0.00 -1.51 0.00 0.00 72.50 68.84 1wgs s THR 97 CO 0.22 0.00 1.14 -0.13 -2.21 0.00 0.00 174.62 173.64 1wgs s ARG 98 N -3.33 0.77 0.31 7.08 0.52 -1.26 -5.19 118.95 117.86 1wgs s ARG 98 Ca 0.13 -0.43 -0.16 0.00 -0.52 0.00 0.00 55.73 54.75 1wgs s ARG 98 Cb -0.04 0.26 0.02 0.00 0.52 0.00 0.00 34.95 35.71 1wgs s ARG 98 CO 0.06 -0.35 0.67 0.54 0.02 0.00 0.00 175.30 176.23 1wgs s ASN 99 N -3.02 -0.03 0.26 0.23 2.20 -1.26 -5.19 114.94 108.13 1wgs s ASN 99 Ca 0.14 -0.92 -0.11 0.00 -0.94 0.00 0.00 52.86 51.03 1wgs s ASN 99 Cb 0.02 0.73 -0.00 0.00 -2.00 0.00 0.00 41.25 39.99 1wgs s ASN 99 CO -0.01 -1.40 0.47 -1.58 -2.94 0.00 0.00 177.10 171.64 1wgs s GLN 100 N -3.38 1.58 -0.13 3.55 0.74 -1.26 -5.18 119.66 115.59 1wgs s GLN 100 Ca 0.17 -1.32 -0.15 0.00 0.05 0.00 0.00 55.36 54.10 1wgs s GLN 100 Cb -0.04 0.46 0.04 0.00 1.10 0.00 0.00 33.01 34.57 1wgs s GLN 100 CO 0.10 -0.66 0.41 0.15 -0.55 0.00 0.00 175.29 174.74 1wgs s LYS 101 N -3.89 0.54 0.29 1.67 1.02 -1.26 -5.17 119.74 112.94 1wgs s LYS 101 Ca 0.24 0.43 0.02 0.00 0.02 0.00 0.00 55.97 56.68 1wgs s LYS 101 Cb -0.00 0.26 -0.05 0.00 -0.52 0.00 0.00 37.83 37.52 1wgs s LYS 101 CO 0.10 -0.09 0.11 -0.98 -0.92 0.00 0.00 175.35 173.57 1wgs s ARG 102 N -0.12 1.52 0.33 1.68 1.04 -1.26 -5.17 118.95 116.97 1wgs s ARG 102 Ca -0.03 -1.85 -0.10 0.00 -1.04 0.00 0.00 55.73 52.71 1wgs s ARG 102 Cb -0.03 -0.33 0.02 0.00 -2.04 0.00 0.00 34.95 32.57 1wgs s ARG 102 CO 0.02 -0.33 0.59 -1.59 -0.04 0.00 0.00 175.30 173.94 1wgs s LYS 103 N -3.94 1.91 0.23 3.89 -2.85 -1.26 -5.19 119.74 112.53 1wgs s LYS 103 Ca 0.36 -1.49 -0.22 0.00 -1.00 0.00 0.00 55.97 53.63 1wgs s LYS 103 Cb 0.07 0.52 0.06 0.00 -2.06 0.00 0.00 37.83 36.42 1wgs s LYS 103 CO 0.15 -0.83 0.93 -3.38 0.10 0.00 0.00 175.35 172.31 1wgs s HIS 104 N -3.12 -0.02 -0.05 1.78 -3.43 -1.26 -5.19 115.29 104.00 1wgs s HIS 104 Ca 0.23 -0.41 -0.31 0.00 -0.80 0.00 0.00 55.06 53.76 1wgs s HIS 104 Cb -0.02 0.71 0.12 0.00 -1.43 0.00 0.00 32.58 31.96 1wgs s HIS 104 CO 0.14 -1.06 1.21 0.16 -2.00 0.00 0.00 174.74 173.19 1wgs s ASP 105 N -3.12 -0.11 -0.23 7.38 -4.77 -1.26 -5.18 116.67 109.38 1wgs s ASP 105 Ca 0.16 -0.11 -0.19 0.00 -3.30 0.00 0.00 52.55 49.10 1wgs s ASP 105 Cb -0.03 0.20 0.06 0.00 -1.09 0.00 0.00 42.92 42.07 1wgs s ASP 105 CO 0.06 -0.36 0.61 -0.70 0.70 0.00 0.00 175.17 175.47 1wgs s GLU 106 N -2.56 0.68 0.96 2.11 2.12 -1.26 -5.17 118.70 115.58 1wgs s GLU 106 Ca 0.12 0.91 -0.16 0.00 0.36 0.00 0.00 54.97 56.20 1wgs s GLU 106 Cb 0.02 0.28 0.22 0.00 0.26 0.00 0.00 34.13 34.91 1wgs s GLU 106 CO -0.04 -0.10 1.21 0.44 -0.54 0.00 0.00 175.26 176.23 1wgs n ILE 107 N 3.15 0.00 -4.05 -3.70 -6.64 -1.26 -5.11 119.36 101.76 1wgs n ILE 107 Ca -0.16 -0.84 -0.10 0.00 -1.77 0.00 0.00 62.75 59.88 1wgs n ILE 107 Cb 0.56 -1.49 -0.07 0.00 -1.44 0.00 0.00 39.64 37.20 1wgs n ILE 107 CO 0.00 0.00 0.00 0.21 -1.77 0.00 0.00 176.55 174.99 1wgs s ASN 108 N -5.34 0.01 -0.20 7.28 2.47 -1.26 -5.18 114.94 112.72 1wgs s ASN 108 Ca 0.70 -1.06 -0.27 0.00 0.42 0.00 0.00 52.86 52.65 1wgs s ASN 108 Cb -0.03 0.50 0.09 0.00 -1.45 0.00 0.00 41.25 40.36 1wgs s ASN 108 CO 0.50 -1.00 0.80 -1.38 -3.72 0.00 0.00 177.10 172.29 1wgs s HIS 109 N -4.05 -0.65 0.14 0.43 -3.43 -1.26 -5.17 115.29 101.30 1wgs s HIS 109 Ca 0.26 1.42 0.02 0.00 -0.80 0.00 0.00 55.06 55.97 1wgs s HIS 109 Cb 0.02 0.35 -0.04 0.00 -1.43 0.00 0.00 32.58 31.48 1wgs s HIS 109 CO 0.08 -0.41 0.26 0.08 -2.00 0.00 0.00 174.74 172.75 1wgs s VAL 110 N -0.24 5.25 1.35 -5.38 1.01 -1.26 -5.10 120.40 116.04 1wgs s VAL 110 Ca -0.03 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.06 1wgs s VAL 110 Cb -0.03 -3.68 0.34 0.00 0.00 0.00 0.00 36.38 33.01 1wgs s VAL 110 CO 0.02 -0.06 0.98 0.00 0.00 0.00 0.00 175.10 176.04 1wgs s GLN 111 N -3.12 -2.38 -0.28 2.72 1.03 -1.26 -5.07 119.66 111.30 1wgs s GLN 111 Ca 0.34 0.15 -0.16 0.00 0.04 0.00 0.00 55.36 55.73 1wgs s GLN 111 Cb -0.11 -1.44 0.09 0.00 0.03 0.00 0.00 33.01 31.58 1wgs s GLN 111 CO 0.28 -4.52 0.74 0.21 -2.54 0.00 0.00 175.29 169.46 1wgs s LYS 112 N -5.10 0.64 0.27 9.60 2.20 -1.26 -5.18 119.74 120.92 1wgs s LYS 112 Ca 0.69 1.14 -0.02 0.00 -0.36 0.00 0.00 55.97 57.42 1wgs s LYS 112 Cb -0.13 0.17 0.01 0.00 -1.51 0.00 0.00 37.83 36.36 1wgs s LYS 112 CO 0.58 -0.14 0.39 0.25 -0.36 0.00 0.00 175.35 176.07 1wgs n THR 113 N 4.27 0.00 -4.06 3.43 -2.24 -1.26 -5.19 114.28 109.23 1wgs n THR 113 Ca -0.19 -1.35 -0.11 0.00 -2.27 0.00 0.00 64.05 60.12 1wgs n THR 113 Cb 0.58 0.85 -0.06 0.00 -2.10 0.00 0.00 70.33 69.60 1wgs n THR 113 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1wgs s TYR 114 N -3.41 0.74 0.06 4.78 -0.85 -1.26 -5.18 117.35 112.23 1wgs s TYR 114 Ca 0.22 -1.03 0.02 0.00 -0.52 0.00 0.00 57.07 55.76 1wgs s TYR 114 Cb -0.01 -0.02 -0.03 0.00 0.38 0.00 0.00 41.96 42.28 1wgs s TYR 114 CO 0.16 -0.99 -0.08 0.00 -1.52 0.00 0.00 175.55 173.12 1wgs s ALA 115 N -3.69 0.72 0.01 9.51 0.00 -1.26 -5.16 121.76 121.89 1wgs s ALA 115 Ca 0.28 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.37 1wgs s ALA 115 Cb 0.01 0.07 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1wgs s ALA 115 CO 0.13 -0.07 -0.20 -1.83 0.00 0.00 0.00 175.76 173.79 1wgs s GLU 116 N -2.20 1.50 0.38 0.00 1.03 -1.26 -5.15 118.70 113.00 1wgs s GLU 116 Ca -0.04 -0.81 0.08 0.00 0.03 0.00 0.00 54.97 54.23 1wgs s GLU 116 Cb -0.06 -1.52 -0.04 0.00 -0.80 0.00 0.00 34.13 31.71 1wgs s GLU 116 CO -0.01 0.41 0.21 -1.64 -1.33 0.00 0.00 175.26 172.90 1wgs s MET 117 N -0.78 2.39 0.32 -4.83 -1.94 -1.26 -5.11 119.30 108.08 1wgs s MET 117 Ca 0.07 -1.61 -0.27 0.00 -1.71 0.00 0.00 55.69 52.17 1wgs s MET 117 Cb -0.08 -2.18 -0.09 0.00 2.01 0.00 0.00 34.83 34.48 1wgs s MET 117 CO 0.00 -0.02 0.99 0.34 -0.01 0.00 0.00 175.02 176.32 1wgs s ASP 118 N -3.93 7.27 -0.05 3.03 -1.08 -1.26 -5.00 116.67 115.65 1wgs s ASP 118 Ca 0.41 1.97 -0.08 0.00 -0.52 0.00 0.00 52.55 54.33 1wgs s ASP 118 Cb -0.01 -2.59 -0.05 0.00 -1.46 0.00 0.00 42.92 38.81 1wgs s ASP 118 CO 0.24 -0.12 0.37 1.55 0.52 0.00 0.00 175.17 177.73 1wgs h PRO 119 N 3.32 -0.29 -2.39 4.34 0.13 -2.08 -3.49 132.00 131.54 1wgs h PRO 119 Ca -0.47 0.02 0.16 0.00 -0.87 0.00 0.00 66.00 64.85 1wgs h PRO 119 Cb 1.20 0.06 -0.08 0.00 0.13 0.00 0.00 31.00 32.31 1wgs h PRO 119 CO 0.65 -0.19 0.46 -0.08 -0.23 0.00 0.00 178.00 178.62 1wgs s THR 120 N -2.50 0.00 -0.08 1.56 -1.32 -1.26 -5.18 115.64 106.85 1wgs s THR 120 Ca -0.04 -0.63 -0.28 0.00 -1.21 0.00 0.00 61.69 59.52 1wgs s THR 120 Cb 0.00 -1.91 0.07 0.00 -1.51 0.00 0.00 72.50 69.15 1wgs s THR 120 CO 0.13 0.00 0.65 -0.89 -2.21 0.00 0.00 174.62 172.30 1wgs s THR 121 N -3.33 0.01 0.00 5.08 2.01 -1.26 -5.17 115.64 112.97 1wgs s THR 121 Ca 0.11 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1wgs s THR 121 Cb -0.02 -0.96 0.00 0.00 0.01 0.00 0.00 72.50 71.54 1wgs s THR 121 CO 0.02 -0.02 0.00 0.00 -0.69 0.00 0.00 174.62 173.92 1wgs n ALA 122 N 1.23 0.00 -3.51 7.40 0.00 -1.26 -5.19 120.51 119.18 1wgs n ALA 122 Ca -0.18 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.22 1wgs n ALA 122 Cb 0.57 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 1wgs n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgs n ALA 123 N -0.08 0.07 -2.05 0.00 0.00 -1.26 -5.16 120.51 112.03 1wgs n ALA 123 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1wgs n ALA 123 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1wgs n ALA 123 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1wgs n LEU 124 N 0.00 0.00 -3.65 0.00 -0.00 -1.26 -5.16 117.00 106.93 1wgs n LEU 124 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.01 56.00 1wgs n LEU 124 Cb 0.07 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.43 1wgs n LEU 124 CO 0.04 0.00 1.16 -0.70 -0.00 0.00 0.00 177.39 177.89 1wgs s GLU 125 N 2.09 0.00 0.44 1.47 2.12 -1.26 -5.16 118.70 118.39 1wgs s GLU 125 Ca 0.00 0.00 -0.16 0.00 0.36 0.00 0.00 54.97 55.17 1wgs s GLU 125 Cb 0.00 0.00 -0.08 0.00 0.26 0.00 0.00 34.13 34.31 1wgs s GLU 125 CO 0.00 -0.00 0.89 0.21 -0.54 0.00 0.00 175.26 175.82 1wgs s LYS 126 N 0.35 3.98 0.05 4.30 2.20 -1.26 -5.08 119.74 124.28 1wgs s LYS 126 Ca 0.02 0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 56.45 1wgs s LYS 126 Cb -0.04 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.99 1wgs s LYS 126 CO -0.14 -0.10 -0.02 -2.00 -0.36 0.00 0.00 175.35 172.73 1wgs s GLU 127 N -3.65 0.58 -0.11 4.03 2.56 -1.26 -5.17 118.70 115.68 1wgs s GLU 127 Ca 0.57 -1.13 -0.33 0.00 0.00 0.00 0.00 54.97 54.08 1wgs s GLU 127 Cb -0.10 0.20 0.13 0.00 2.00 0.00 0.00 34.13 36.37 1wgs s GLU 127 CO 0.25 -0.11 1.29 -1.12 -0.56 0.00 0.00 175.26 175.01 1wgs s SER 128 N -2.73 -0.07 -0.30 -1.70 0.01 -1.26 -5.17 113.70 102.48 1wgs s SER 128 Ca 0.04 -0.06 -0.17 0.00 1.31 0.00 0.00 55.95 57.07 1wgs s SER 128 Cb 0.06 0.12 0.18 0.00 0.21 0.00 0.00 66.02 66.59 1wgs s SER 128 CO -0.09 -0.22 1.13 -0.83 0.41 0.00 0.00 173.24 173.65 1wgs s GLY 129 N -2.62 0.01 0.59 3.44 0.00 -1.26 -5.18 107.32 102.30 1wgs s GLY 129 Ca 0.12 3.30 -0.10 0.00 0.00 0.00 0.00 44.72 48.04 1wgs s GLY 129 CO -0.04 3.37 0.65 -1.55 0.00 0.00 0.00 173.10 175.53 1wgs n PRO 130 N 4.85 -1.42 -3.82 2.90 -0.04 -1.26 -5.10 135.00 131.10 1wgs n PRO 130 Ca -0.08 -1.02 -0.04 0.00 -0.04 0.00 0.00 63.50 62.33 1wgs n PRO 130 Cb 0.54 -0.80 0.01 0.00 -0.04 0.00 0.00 33.50 33.20 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 -3.34 -0.07 0.00 3.54 1.04 -1.26 -4.99 113.70 108.62 1wgs s SER 131 Ca 0.39 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 56.23 1wgs s SER 131 Cb -0.02 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1wgs s SER 131 CO 0.29 -0.99 0.00 -1.20 0.98 0.00 0.00 173.24 172.31 1wgs n SER 132 N -0.92 0.00 -0.46 7.02 7.64 -1.26 -5.39 113.62 120.26 1wgs n SER 132 Ca -0.05 0.00 0.06 0.00 1.01 0.00 0.00 58.87 59.89 1wgs n SER 132 Cb 0.60 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.85 1wgs n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64