#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 -0.23 -0.19 1.61 0.15 -1.26 -5.08 113.70 108.71 1wgs s SER 2 Ca 0.00 -0.67 -0.11 0.00 0.70 0.00 0.00 55.95 55.87 1wgs s SER 2 Cb 0.00 0.74 0.04 0.00 -1.71 0.00 0.00 66.02 65.09 1wgs s SER 2 CO 0.00 -1.37 0.21 -1.20 1.20 0.00 0.00 173.24 172.08 1wgs n SER 3 N -0.55 -1.54 -4.24 5.45 7.64 -1.26 -5.04 113.62 114.08 1wgs n SER 3 Ca -0.04 1.33 -0.23 0.00 1.01 0.00 0.00 58.87 60.94 1wgs n SER 3 Cb 0.59 -5.01 -0.13 0.00 -1.01 0.00 0.00 64.21 58.65 1wgs n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgs s GLY 4 N -0.72 1.10 0.37 0.23 0.00 -1.26 -5.00 107.32 102.05 1wgs s GLY 4 Ca -0.25 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.35 1wgs s GLY 4 CO 0.74 -1.12 0.00 1.44 0.00 0.00 0.00 173.10 174.16 1wgs n SER 5 N 1.31 -3.35 -2.44 1.64 7.64 -1.26 -5.13 113.62 112.03 1wgs n SER 5 Ca -0.19 0.78 -0.03 0.00 1.01 0.00 0.00 58.87 60.43 1wgs n SER 5 Cb 0.54 3.21 -0.03 0.00 -1.01 0.00 0.00 64.21 66.92 1wgs n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1wgs n SER 6 N -3.30 -4.11 -0.71 6.43 2.88 -1.26 -5.07 113.62 108.48 1wgs n SER 6 Ca 0.00 1.50 0.00 0.00 -1.33 0.00 0.00 58.87 59.04 1wgs n SER 6 Cb 0.00 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 58.38 1wgs n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgs n GLY 7 N 1.69 0.81 3.51 0.46 0.00 -1.26 -5.16 105.19 105.25 1wgs n GLY 7 Ca -0.24 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.67 1wgs n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wgs n GLU 8 N 0.00 -0.16 -2.31 1.61 1.02 -1.26 -4.82 120.64 114.72 1wgs n GLU 8 Ca 0.00 0.01 -0.35 0.00 -0.02 0.00 0.00 57.16 56.80 1wgs n GLU 8 Cb 0.00 -2.04 -0.04 0.00 -0.02 0.00 0.00 31.44 29.34 1wgs n GLU 8 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1wgs s PRO 9 N -3.77 3.04 0.69 3.49 0.04 -1.26 -4.96 135.00 132.27 1wgs s PRO 9 Ca 0.63 -0.51 -0.17 0.00 0.04 0.00 0.00 61.00 60.99 1wgs s PRO 9 Cb -0.25 -5.00 -0.05 0.00 0.04 0.00 0.00 34.50 29.24 1wgs s PRO 9 CO 0.62 -2.70 0.54 -0.85 0.04 0.00 0.00 177.00 174.64 1wgs n GLU 10 N 8.97 0.37 -2.55 4.56 0.00 -1.26 -4.99 120.64 125.74 1wgs n GLU 10 Ca 0.31 0.16 -0.23 0.00 0.00 0.00 0.00 57.16 57.40 1wgs n GLU 10 Cb 0.49 -1.81 0.07 0.00 0.00 0.00 0.00 31.44 30.19 1wgs n GLU 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1wgs s VAL 11 N -1.85 2.41 -0.03 3.84 0.11 -1.26 -5.12 120.40 118.50 1wgs s VAL 11 Ca 0.66 -0.58 -0.29 0.00 -2.93 0.00 0.00 61.98 58.85 1wgs s VAL 11 Cb -0.37 -2.83 0.10 0.00 -1.53 0.00 0.00 36.38 31.75 1wgs s VAL 11 CO 0.57 0.00 0.90 -0.89 -3.33 0.00 0.00 175.10 172.35 1wgs s THR 12 N -2.98 0.00 0.08 5.04 2.01 -1.26 -5.18 115.64 113.35 1wgs s THR 12 Ca 0.61 0.00 0.07 0.00 0.31 0.00 0.00 61.69 62.69 1wgs s THR 12 Cb -0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.39 1wgs s THR 12 CO 0.42 0.00 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.46 1wgs s VAL 13 N -2.85 1.60 0.03 3.82 1.01 -1.26 -5.03 120.40 117.71 1wgs s VAL 13 Ca 0.04 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 60.70 1wgs s VAL 13 Cb -0.01 -1.44 -0.02 0.00 0.00 0.00 0.00 36.38 34.91 1wgs s VAL 13 CO -0.07 0.01 -0.19 -1.61 0.00 0.00 0.00 175.10 173.23 1wgs s GLU 14 N -1.62 1.34 0.44 2.72 2.02 -1.26 -5.14 118.70 117.20 1wgs s GLU 14 Ca 0.06 -0.83 -0.09 0.00 0.02 0.00 0.00 54.97 54.12 1wgs s GLU 14 Cb -0.09 -1.40 -0.05 0.00 0.10 0.00 0.00 34.13 32.68 1wgs s GLU 14 CO 0.03 0.36 0.79 0.42 0.02 0.00 0.00 175.26 176.88 1wgs s ILE 15 N -0.71 4.82 0.00 -1.63 -1.09 -1.26 -3.91 121.20 117.42 1wgs s ILE 15 Ca 0.06 0.51 0.00 0.00 -2.23 0.00 0.00 60.65 58.99 1wgs s ILE 15 Cb -0.08 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 37.02 1wgs s ILE 15 CO 0.01 -0.66 0.00 0.61 -1.23 0.00 0.00 174.94 173.67 1wgs n GLY 16 N -1.67 3.06 3.95 6.18 0.00 -1.01 -5.01 105.19 110.69 1wgs n GLY 16 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.31 3.16 -0.02 1.61 8.01 -1.25 -4.84 118.70 125.07 1wgs s GLU 17 Ca 0.00 -0.46 0.02 0.00 0.01 0.00 0.00 54.97 54.54 1wgs s GLU 17 Cb 0.00 -2.58 -0.03 0.00 -4.31 0.00 0.00 34.13 27.20 1wgs s GLU 17 CO 0.00 -0.18 -0.04 0.99 0.01 0.00 0.00 175.26 176.04 1wgs s THR 18 N -2.50 3.89 0.15 3.63 2.01 -1.26 -1.24 115.64 120.31 1wgs s THR 18 Ca 0.47 -0.62 0.02 0.00 0.31 0.00 0.00 61.69 61.87 1wgs s THR 18 Cb -0.10 -2.68 -0.04 0.00 0.01 0.00 0.00 72.50 69.68 1wgs s THR 18 CO 0.37 0.44 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.40 1wgs s TYR 19 N -0.99 1.12 -0.42 4.92 1.51 -0.67 -4.91 117.35 117.92 1wgs s TYR 19 Ca 0.17 -0.94 -0.25 0.00 -1.01 0.00 0.00 57.07 55.04 1wgs s TYR 19 Cb -0.11 -0.63 0.02 0.00 -0.11 0.00 0.00 41.96 41.13 1wgs s TYR 19 CO 0.07 -0.14 0.88 -0.51 -1.11 0.00 0.00 175.55 174.74 1wgs s LEU 20 N -3.13 4.06 -0.13 -1.29 2.01 -1.26 0.66 118.68 119.59 1wgs s LEU 20 Ca 0.19 0.22 -0.17 0.00 0.01 0.00 0.00 54.13 54.39 1wgs s LEU 20 Cb 0.05 -3.15 -0.04 0.00 0.01 0.00 0.00 46.19 43.06 1wgs s LEU 20 CO 0.01 -0.94 0.41 0.00 1.01 0.00 0.00 176.35 176.84 1wgs s ARG 22 N 0.50 2.83 0.16 0.00 3.52 0.26 -1.51 118.95 124.70 1wgs s ARG 22 Ca 0.23 2.10 0.06 0.00 -0.13 0.00 0.00 55.73 57.98 1wgs s ARG 22 Cb -0.14 -2.01 -0.04 0.00 -1.56 0.00 0.00 34.95 31.19 1wgs s ARG 22 CO 0.08 -1.39 -0.13 1.03 -0.81 0.00 0.00 175.30 174.08 1wgs s ARG 23 N -3.19 1.15 0.11 5.12 1.81 0.06 -4.85 118.95 119.15 1wgs s ARG 23 Ca 0.78 -1.42 -0.10 0.00 -1.72 0.00 0.00 55.73 53.27 1wgs s ARG 23 Cb -0.38 -0.93 -0.15 0.00 -0.45 0.00 0.00 34.95 33.05 1wgs s ARG 23 CO 0.42 0.16 1.27 -1.00 -0.68 0.00 0.00 175.30 175.47 1wgs h PRO 24 N 2.99 0.62 0.00 3.54 0.13 -1.96 -3.39 132.00 133.93 1wgs h PRO 24 Ca -0.39 -0.61 -0.05 0.00 -0.87 0.00 0.00 66.00 64.09 1wgs h PRO 24 Cb 1.20 0.16 -0.09 0.00 0.13 0.00 0.00 31.00 32.40 1wgs h PRO 24 CO 0.58 1.22 -0.47 -0.25 -0.23 0.00 0.00 178.00 178.85 1wgs n ASP 25 N -3.85 0.10 -1.75 1.44 9.92 -1.26 -4.86 116.55 116.29 1wgs n ASP 25 Ca -0.08 -1.76 -0.06 0.00 -0.53 0.00 0.00 54.79 52.36 1wgs n ASP 25 Cb 0.82 -0.12 0.08 0.00 -0.64 0.00 0.00 41.12 41.26 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 0.13 0.00 0.00 177.20 176.13 1wgs n SER 26 N 0.10 2.64 0.00 -2.24 7.64 -1.26 -5.10 113.62 115.40 1wgs n SER 26 Ca -0.02 -3.09 0.00 0.00 1.01 0.00 0.00 58.87 56.77 1wgs n SER 26 Cb 0.74 -0.41 0.00 0.00 -1.01 0.00 0.00 64.21 63.53 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wgs n THR 27 N -0.58 0.00 -3.55 0.44 -2.24 -1.26 -3.85 114.28 103.24 1wgs n THR 27 Ca 0.22 0.00 -0.40 0.00 -2.27 0.00 0.00 64.05 61.60 1wgs n THR 27 Cb 0.89 0.00 -0.11 0.00 -2.10 0.00 0.00 70.33 69.01 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 0.00 3.22 -0.03 4.78 0.52 -1.26 -0.76 118.94 125.40 1wgs s TRP 28 Ca 0.00 -0.45 0.02 0.00 0.02 0.00 0.00 56.10 55.69 1wgs s TRP 28 Cb 0.00 -2.46 -0.03 0.00 -1.15 0.00 0.00 33.47 29.82 1wgs s TRP 28 CO 0.00 -0.46 -0.06 -1.01 0.02 0.00 0.00 176.95 175.44 1wgs s HIS 29 N 1.67 2.93 0.39 -1.98 3.76 -0.57 -4.86 115.29 116.62 1wgs s HIS 29 Ca 0.05 0.00 -0.25 0.00 -0.15 0.00 0.00 55.06 54.72 1wgs s HIS 29 Cb -0.18 -1.67 -0.09 0.00 1.11 0.00 0.00 32.58 31.76 1wgs s HIS 29 CO 0.09 0.36 1.09 -1.54 -0.85 0.00 0.00 174.74 173.89 1wgs s SER 30 N -1.11 6.72 -0.19 1.40 1.04 -1.26 0.18 113.70 120.48 1wgs s SER 30 Ca 0.15 2.16 -0.08 0.00 0.48 0.00 0.00 55.95 58.65 1wgs s SER 30 Cb -0.11 -2.60 0.08 0.00 0.10 0.00 0.00 66.02 63.49 1wgs s SER 30 CO 0.04 -0.52 0.42 0.00 0.98 0.00 0.00 173.24 174.16 1wgs s ALA 31 N -1.53 -1.14 0.16 5.32 0.00 0.21 -4.03 121.76 120.75 1wgs s ALA 31 Ca 0.56 1.54 -0.30 0.00 0.00 0.00 0.00 51.96 53.76 1wgs s ALA 31 Cb -0.26 -1.18 -0.08 0.00 0.00 0.00 0.00 23.12 21.60 1wgs s ALA 31 CO 0.32 -0.57 1.29 -1.83 0.00 0.00 0.00 175.76 174.98 1wgs s GLU 32 N 2.15 4.40 -0.54 0.00 -1.05 0.46 -1.67 118.70 122.44 1wgs s GLU 32 Ca -0.05 1.99 -0.28 0.00 -0.15 0.00 0.00 54.97 56.47 1wgs s GLU 32 Cb -0.10 -3.24 0.03 0.00 -0.44 0.00 0.00 34.13 30.38 1wgs s GLU 32 CO -0.13 -0.26 1.18 0.08 0.95 0.00 0.00 175.26 177.08 1wgs s VAL 33 N 0.43 4.08 0.00 1.83 1.01 -0.37 0.18 120.40 127.56 1wgs s VAL 33 Ca 0.58 1.01 -0.25 0.00 0.00 0.00 0.00 61.98 63.33 1wgs s VAL 33 Cb -0.35 -4.68 -0.14 0.00 0.00 0.00 0.00 36.38 31.22 1wgs s VAL 33 CO 0.35 -1.22 1.02 0.40 0.00 0.00 0.00 175.10 175.65 1wgs h ILE 34 N 6.19 0.00 -2.47 2.22 1.08 0.17 -2.69 117.51 122.01 1wgs h ILE 34 Ca -0.24 -0.34 -0.05 0.00 -0.39 0.00 0.00 64.86 63.84 1wgs h ILE 34 Cb 1.06 0.00 -0.01 0.00 -3.07 0.00 0.00 36.82 34.80 1wgs h ILE 34 CO 1.17 0.00 0.01 0.00 -0.69 0.00 0.00 178.15 178.64 1wgs n GLN 35 N -5.31 0.27 -4.23 2.37 1.13 -1.20 -4.62 117.38 105.78 1wgs n GLN 35 Ca -0.11 -0.77 -0.14 0.00 -1.94 0.00 0.00 57.00 54.04 1wgs n GLN 35 Cb 0.35 0.82 -0.10 0.00 0.11 0.00 0.00 30.24 31.42 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 -1.64 1.69 0.28 1.08 1.04 -1.26 -1.68 113.70 113.22 1wgs s SER 36 Ca 0.07 -0.99 -0.21 0.00 0.48 0.00 0.00 55.95 55.30 1wgs s SER 36 Cb -0.01 0.00 0.03 0.00 0.10 0.00 0.00 66.02 66.14 1wgs s SER 36 CO 0.05 -0.34 0.74 0.00 0.98 0.00 0.00 173.24 174.68 1wgs s ARG 37 N -3.66 1.80 0.00 4.02 1.70 -1.03 -4.96 118.95 116.81 1wgs s ARG 37 Ca 0.15 -1.02 0.05 0.00 -0.47 0.00 0.00 55.73 54.44 1wgs s ARG 37 Cb 0.02 0.60 -0.01 0.00 -0.57 0.00 0.00 34.95 34.99 1wgs s ARG 37 CO -0.00 -0.83 -0.15 0.08 -1.08 0.00 0.00 175.30 173.33 1wgs s VAL 38 N -3.70 1.15 -0.29 4.99 1.01 -1.26 -2.12 120.40 120.18 1wgs s VAL 38 Ca 0.12 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.24 1wgs s VAL 38 Cb -0.06 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1wgs s VAL 38 CO 0.07 0.25 0.28 0.20 0.00 0.00 0.00 175.10 175.90 1wgs s ASN 39 N -0.55 6.13 0.24 3.32 -0.87 0.60 -4.92 114.94 118.90 1wgs s ASN 39 Ca 0.05 -0.00 0.23 0.00 -1.57 0.00 0.00 52.86 51.57 1wgs s ASN 39 Cb -0.06 -2.16 0.19 0.00 -0.02 0.00 0.00 41.25 39.19 1wgs s ASN 39 CO -0.00 -0.17 1.27 -0.78 -2.57 0.00 0.00 177.10 174.85 1wgs h ASP 40 N 8.34 0.00 0.00 -1.22 3.58 -1.96 -0.29 116.42 124.86 1wgs h ASP 40 Ca -0.33 -0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.04 1wgs h ASP 40 Cb 1.17 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 1wgs h ASP 40 CO 0.61 0.02 -0.38 -0.61 -2.88 0.00 0.00 179.24 176.00 1wgs h GLN 41 N 0.00 0.00 0.00 0.28 4.15 -1.97 -3.38 115.11 114.20 1wgs h GLN 41 Ca 0.00 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.27 1wgs h GLN 41 Cb 0.94 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.60 1wgs h GLN 41 CO 0.00 0.32 -0.73 0.93 -1.93 0.00 0.00 178.83 177.42 1wgs h GLU 42 N -1.00 0.00 -3.72 1.69 4.39 -1.99 -3.48 114.58 110.47 1wgs h GLU 42 Ca -0.06 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.55 1wgs h GLU 42 Cb 0.54 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 29.26 1wgs h GLU 42 CO -0.04 0.73 -0.30 0.41 -1.16 0.00 0.00 179.01 178.66 1wgs n GLY 43 N 0.98 0.18 3.58 -3.84 0.00 -0.15 -5.07 105.19 100.87 1wgs n GLY 43 Ca 0.00 -0.05 -0.09 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.73 1.48 -0.09 1.61 1.70 -1.06 -4.97 118.95 113.89 1wgs s ARG 44 Ca 0.12 -1.01 -0.06 0.00 -0.47 0.00 0.00 55.73 54.31 1wgs s ARG 44 Cb -0.02 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1wgs s ARG 44 CO 0.26 -0.63 0.15 -1.21 -1.08 0.00 0.00 175.30 172.79 1wgs s GLU 45 N -3.93 3.44 0.23 3.89 2.02 -1.26 -0.29 118.70 122.80 1wgs s GLU 45 Ca 0.14 -0.18 0.02 0.00 0.02 0.00 0.00 54.97 54.97 1wgs s GLU 45 Cb -0.01 -3.17 -0.05 0.00 0.10 0.00 0.00 34.13 31.00 1wgs s GLU 45 CO 0.02 0.75 0.06 -1.21 0.02 0.00 0.00 175.26 174.90 1wgs s GLU 46 N -1.26 1.30 -0.15 1.61 2.02 -0.90 -4.39 118.70 116.93 1wgs s GLU 46 Ca 0.18 -1.68 -0.06 0.00 0.02 0.00 0.00 54.97 53.43 1wgs s GLU 46 Cb -0.12 -0.30 0.07 0.00 0.10 0.00 0.00 34.13 33.88 1wgs s GLU 46 CO 0.08 -0.22 0.32 -0.06 0.02 0.00 0.00 175.26 175.40 1wgs s PHE 47 N -3.69 -0.53 -0.82 1.61 0.40 -0.32 -2.47 117.98 112.17 1wgs s PHE 47 Ca 0.32 1.13 -0.25 0.00 -0.60 0.00 0.00 56.93 57.52 1wgs s PHE 47 Cb 0.07 0.12 0.01 0.00 0.51 0.00 0.00 43.02 43.73 1wgs s PHE 47 CO 0.10 -0.36 1.58 -0.47 0.70 0.00 0.00 175.22 176.77 1wgs s TYR 48 N 2.06 2.12 0.07 0.36 5.04 -0.68 -0.99 117.35 125.33 1wgs s TYR 48 Ca -0.03 0.05 -0.06 0.00 -2.44 0.00 0.00 57.07 54.59 1wgs s TYR 48 Cb -0.11 -4.42 -0.05 0.00 0.35 0.00 0.00 41.96 37.73 1wgs s TYR 48 CO -0.10 -2.03 0.32 0.14 -1.34 0.00 0.00 175.55 172.54 1wgs s VAL 49 N 7.10 5.22 -0.19 3.14 -7.23 -0.42 0.19 120.40 128.21 1wgs s VAL 49 Ca 0.52 0.15 -0.03 0.00 -1.81 0.00 0.00 61.98 60.81 1wgs s VAL 49 Cb -0.07 -3.61 -0.01 0.00 0.56 0.00 0.00 36.38 33.26 1wgs s VAL 49 CO 0.07 0.24 -0.07 -2.28 -0.31 0.00 0.00 175.10 172.75 1wgs s HIS 50 N -1.44 2.93 -0.74 2.82 2.46 0.47 -2.97 115.29 118.82 1wgs s HIS 50 Ca 0.33 -0.84 -0.25 0.00 0.47 0.00 0.00 55.06 54.77 1wgs s HIS 50 Cb -0.13 -2.03 0.05 0.00 -0.13 0.00 0.00 32.58 30.34 1wgs s HIS 50 CO 0.20 -0.44 1.16 0.71 -2.47 0.00 0.00 174.74 173.91 1wgs s TYR 51 N 1.12 2.48 0.21 3.88 2.02 -1.26 -0.41 117.35 125.39 1wgs s TYR 51 Ca 0.01 -0.35 0.21 0.00 -0.37 0.00 0.00 57.07 56.57 1wgs s TYR 51 Cb -0.15 -4.49 0.88 0.00 -0.40 0.00 0.00 41.96 37.80 1wgs s TYR 51 CO -0.01 -1.88 1.82 -0.39 -1.57 0.00 0.00 175.55 173.52 1wgs h VAL 52 N 6.06 0.74 -0.08 0.71 -1.51 -1.78 -2.43 116.25 117.96 1wgs h VAL 52 Ca -0.23 -1.22 -0.01 0.00 -1.23 0.00 0.00 66.70 64.01 1wgs h VAL 52 Cb 1.05 1.77 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 1wgs h VAL 52 CO 1.25 0.28 0.00 1.23 -1.23 0.00 0.00 177.57 179.10 1wgs h GLY 53 N 1.82 0.15 0.00 5.19 0.00 -1.88 -3.39 103.07 104.96 1wgs h GLY 53 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1wgs h GLY 53 CO 0.04 0.10 0.00 0.69 0.00 0.00 0.00 176.54 177.36 1wgs n PHE 54 N -4.85 0.00 -3.39 5.60 3.01 -1.16 -5.09 117.46 111.58 1wgs n PHE 54 Ca -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 57.45 58.38 1wgs n PHE 54 Cb 0.19 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.66 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 -0.36 -0.49 0.04 4.37 3.02 -0.93 -5.04 115.26 115.88 1wgs n ASN 55 Ca 0.00 -1.30 0.05 0.00 -0.03 0.00 0.00 54.58 53.31 1wgs n ASN 55 Cb 0.00 0.80 -0.08 0.00 -0.61 0.00 0.00 39.78 39.89 1wgs n ASN 55 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1wgs n ARG 56 N -0.16 0.63 0.34 3.52 0.63 -1.26 -3.91 116.66 116.45 1wgs n ARG 56 Ca -0.01 0.09 0.23 0.00 -0.92 0.00 0.00 57.85 57.24 1wgs n ARG 56 Cb 0.14 -1.74 1.21 0.00 0.45 0.00 0.00 32.46 32.52 1wgs n ARG 56 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1wgs h ARG 57 N 0.00 0.00 0.00 -0.14 -0.00 -1.96 -3.32 114.38 108.96 1wgs h ARG 57 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.87 1wgs h ARG 57 Cb 1.33 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.30 1wgs h ARG 57 CO 0.02 0.00 0.00 1.28 -0.00 0.00 0.00 179.97 181.27 1wgs n LEU 58 N -3.07 0.00 -2.77 0.08 7.99 -1.25 -4.96 117.00 113.02 1wgs n LEU 58 Ca -0.03 0.00 -0.03 0.00 -0.01 0.00 0.00 56.01 55.94 1wgs n LEU 58 Cb 0.07 0.00 -0.02 0.00 -0.11 0.00 0.00 43.42 43.36 1wgs n LEU 58 CO 0.20 0.00 -0.50 0.47 -1.51 0.00 0.00 177.39 176.05 1wgs n ASP 59 N 0.00 -3.93 -3.78 -1.43 8.00 -1.25 -5.06 116.55 109.11 1wgs n ASP 59 Ca 0.00 1.22 -0.10 0.00 0.71 0.00 0.00 54.79 56.63 1wgs n ASP 59 Cb 0.00 -4.31 -0.06 0.00 -0.02 0.00 0.00 41.12 36.73 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 -0.80 1.07 0.37 -1.24 -1.05 -1.16 -5.03 118.70 110.87 1wgs s GLU 60 Ca -0.15 -0.90 -0.10 0.00 -0.15 0.00 0.00 54.97 53.67 1wgs s GLU 60 Cb 0.01 0.42 -0.07 0.00 -0.44 0.00 0.00 34.13 34.06 1wgs s GLU 60 CO 0.59 -0.40 0.72 -1.58 0.95 0.00 0.00 175.26 175.53 1wgs s TRP 61 N -3.86 3.46 0.29 4.83 0.52 -1.26 -1.29 118.94 121.61 1wgs s TRP 61 Ca 0.07 0.99 0.02 0.00 0.02 0.00 0.00 56.10 57.21 1wgs s TRP 61 Cb 0.03 -2.39 -0.03 0.00 -1.15 0.00 0.00 33.47 29.93 1wgs s TRP 61 CO -0.08 -0.02 0.28 0.14 0.02 0.00 0.00 176.95 177.29 1wgs s VAL 62 N -2.25 0.00 0.27 4.03 -7.23 -0.16 -4.88 120.40 110.19 1wgs s VAL 62 Ca 0.50 -1.90 0.08 0.00 -1.81 0.00 0.00 61.98 58.85 1wgs s VAL 62 Cb -0.10 -2.51 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 1wgs s VAL 62 CO 0.29 0.00 0.18 -1.81 -0.31 0.00 0.00 175.10 173.45 1wgs s ASP 63 N -3.27 5.30 0.46 4.85 1.11 -1.26 -1.17 116.67 122.69 1wgs s ASP 63 Ca 0.37 -0.38 0.12 0.00 0.18 0.00 0.00 52.55 52.84 1wgs s ASP 63 Cb 0.03 -1.21 1.04 0.00 1.07 0.00 0.00 42.92 43.85 1wgs s ASP 63 CO 0.21 -0.10 2.08 0.11 1.18 0.00 0.00 175.17 178.64 1wgs h LYS 64 N 1.51 0.24 -0.17 8.23 1.57 -1.93 -1.49 116.57 124.52 1wgs h LYS 64 Ca -0.47 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.15 1wgs h LYS 64 Cb 1.24 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1wgs h LYS 64 CO 0.60 0.19 -0.43 -0.91 -0.57 0.00 0.00 179.45 178.33 1wgs h ASN 65 N 0.24 0.68 -0.11 0.86 2.35 -1.95 -2.84 115.58 114.82 1wgs h ASN 65 Ca 0.06 -0.57 0.03 0.00 -0.55 0.00 0.00 56.30 55.27 1wgs h ASN 65 Cb 0.04 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.21 1wgs h ASN 65 CO -0.01 1.13 0.18 0.03 -1.65 0.00 0.00 177.43 177.11 1wgs h ARG 66 N 0.26 0.00 -6.75 0.81 3.08 -1.68 -3.42 114.38 106.69 1wgs h ARG 66 Ca -0.00 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.58 1wgs h ARG 66 Cb 1.04 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.14 1wgs h ARG 66 CO 0.09 0.00 -0.07 -0.51 -1.07 0.00 0.00 179.97 178.42 1wgs s LEU 67 N -6.97 3.19 -0.39 3.04 1.43 -0.93 0.88 118.68 118.92 1wgs s LEU 67 Ca -0.04 -0.56 -0.07 0.00 -1.03 0.00 0.00 54.13 52.42 1wgs s LEU 67 Cb 0.14 -2.03 0.07 0.00 0.03 0.00 0.00 46.19 44.40 1wgs s LEU 67 CO 0.47 -1.36 0.20 0.00 0.23 0.00 0.00 176.35 175.89 1wgs s ALA 68 N -2.75 3.18 -0.44 4.21 0.00 -0.92 -4.74 121.76 120.31 1wgs s ALA 68 Ca 0.61 -2.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.43 1wgs s ALA 68 Cb -0.07 -2.48 0.12 0.00 0.00 0.00 0.00 23.12 20.69 1wgs s ALA 68 CO 0.39 -1.59 0.24 -0.51 0.00 0.00 0.00 175.76 174.30 1wgs s LEU 69 N 1.36 5.29 0.00 0.00 1.43 -1.25 -4.72 118.68 120.78 1wgs s LEU 69 Ca 0.02 -2.12 0.00 0.00 -1.03 0.00 0.00 54.13 51.00 1wgs s LEU 69 Cb -0.22 -1.85 0.00 0.00 0.03 0.00 0.00 46.19 44.15 1wgs s LEU 69 CO 0.01 -0.53 0.00 1.07 0.23 0.00 0.00 176.35 177.12 1wgs n THR 70 N 4.48 0.00 -0.04 5.49 5.66 -1.23 -2.41 114.28 126.23 1wgs n THR 70 Ca -0.01 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 60.88 1wgs n THR 70 Cb 0.41 -0.22 -0.04 0.00 -1.55 0.00 0.00 70.33 68.92 1wgs n THR 70 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1wgs h LYS 71 N 0.00 0.26 -0.89 1.09 6.56 -1.91 0.91 116.57 122.58 1wgs h LYS 71 Ca 0.01 -0.03 0.33 0.00 -1.06 0.00 0.00 60.65 59.90 1wgs h LYS 71 Cb 0.59 -0.05 -0.11 0.00 -0.57 0.00 0.00 32.23 32.09 1wgs h LYS 71 CO 0.00 0.26 0.55 2.41 -2.06 0.00 0.00 179.45 180.62 1wgs n THR 72 N -4.90 -0.22 -0.01 -0.16 -1.04 -1.26 -2.66 114.28 104.04 1wgs n THR 72 Ca -0.04 1.33 -0.01 0.00 -2.04 0.00 0.00 64.05 63.30 1wgs n THR 72 Cb 0.08 -2.18 -0.00 0.00 -1.82 0.00 0.00 70.33 66.41 1wgs n THR 72 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1wgs n VAL 73 N -4.27 0.25 -3.65 12.58 0.31 -0.93 -5.05 118.33 117.57 1wgs n VAL 73 Ca 0.28 0.27 -0.07 0.00 -0.01 0.00 0.00 64.34 64.81 1wgs n VAL 73 Cb 1.05 -1.41 -0.07 0.00 -0.91 0.00 0.00 33.84 32.50 1wgs n VAL 73 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 1wgs s LYS 74 N -1.27 0.67 0.78 5.55 -0.14 0.31 -4.87 119.74 120.76 1wgs s LYS 74 Ca -0.03 1.19 -0.17 0.00 -1.36 0.00 0.00 55.97 55.60 1wgs s LYS 74 Cb 0.00 0.16 -0.14 0.00 -1.68 0.00 0.00 37.83 36.17 1wgs s LYS 74 CO 0.04 -0.15 -0.46 -0.25 -0.76 0.00 0.00 175.35 173.77 1wgs n ASP 75 N 4.37 -4.82 -0.01 2.83 9.92 -1.20 -3.52 116.55 124.11 1wgs n ASP 75 Ca -0.20 0.40 -0.13 0.00 -0.53 0.00 0.00 54.79 54.33 1wgs n ASP 75 Cb 0.58 -0.82 -0.10 0.00 -0.64 0.00 0.00 41.12 40.14 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1wgs h ALA 76 N -0.56 -0.02 0.00 2.24 0.00 -1.88 -3.46 119.26 115.58 1wgs h ALA 76 Ca -0.43 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1wgs h ALA 76 Cb 1.37 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1wgs h ALA 76 CO 0.32 -0.25 0.00 0.28 0.00 0.00 0.00 179.25 179.60 1wgs n VAL 77 N -4.85 0.00 -0.33 0.00 0.31 -1.26 -4.39 118.33 107.80 1wgs n VAL 77 Ca -0.09 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.16 1wgs n VAL 77 Cb 0.27 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.12 1wgs n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1wgs n GLN 78 N 0.00 -0.35 -3.26 5.55 1.13 -1.26 -4.43 117.38 114.77 1wgs n GLN 78 Ca 0.00 1.36 -0.24 0.00 -1.94 0.00 0.00 57.00 56.18 1wgs n GLN 78 Cb 0.00 -2.00 -0.01 0.00 0.11 0.00 0.00 30.24 28.35 1wgs n GLN 78 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1wgs s LYS 79 N -5.07 3.43 -0.39 -1.09 2.47 -1.26 -5.07 119.74 112.75 1wgs s LYS 79 Ca -0.10 -0.32 -0.05 0.00 -1.56 0.00 0.00 55.97 53.95 1wgs s LYS 79 Cb 0.09 -2.62 0.09 0.00 -1.46 0.00 0.00 37.83 33.92 1wgs s LYS 79 CO 0.49 0.06 0.19 0.54 0.16 0.00 0.00 175.35 176.79 1wgs s ASN 80 N -4.07 5.33 -0.30 1.43 4.22 -1.26 -4.84 114.94 115.45 1wgs s ASN 80 Ca 0.42 -1.71 -0.07 0.00 -2.14 0.00 0.00 52.86 49.36 1wgs s ASN 80 Cb -0.10 -1.87 0.15 0.00 1.28 0.00 0.00 41.25 40.72 1wgs s ASN 80 CO 0.37 -0.49 0.65 -0.44 -2.04 0.00 0.00 177.10 175.15 1wgs s SER 81 N 1.85 -1.20 -0.46 3.54 0.01 -1.26 -5.08 113.70 111.08 1wgs s SER 81 Ca 0.04 1.26 0.04 0.00 1.31 0.00 0.00 55.95 58.60 1wgs s SER 81 Cb -0.22 2.21 0.23 0.00 0.21 0.00 0.00 66.02 68.45 1wgs s SER 81 CO -0.01 -0.23 0.91 -0.62 0.41 0.00 0.00 173.24 173.69 1wgs n GLU 82 N 5.42 0.56 -3.17 12.44 1.02 -1.26 -5.02 120.64 130.64 1wgs n GLU 82 Ca -0.08 -1.60 0.05 0.00 -0.02 0.00 0.00 57.16 55.51 1wgs n GLU 82 Cb 0.50 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.74 1wgs n GLU 82 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1wgs s LYS 83 N 0.70 0.19 0.06 3.49 2.36 -1.26 -5.18 119.74 120.10 1wgs s LYS 83 Ca 0.30 0.35 -0.27 0.00 -2.55 0.00 0.00 55.97 53.80 1wgs s LYS 83 Cb 0.15 0.19 0.09 0.00 -1.05 0.00 0.00 37.83 37.21 1wgs s LYS 83 CO -0.15 -0.19 0.83 -0.47 1.55 0.00 0.00 175.35 176.92 1wgs s TYR 84 N 2.89 -0.35 -0.27 4.03 5.04 -1.26 -5.05 117.35 122.38 1wgs s TYR 84 Ca -0.01 0.16 -0.23 0.00 -2.44 0.00 0.00 57.07 54.55 1wgs s TYR 84 Cb -0.10 0.56 0.03 0.00 0.35 0.00 0.00 41.96 42.81 1wgs s TYR 84 CO -0.12 -0.68 0.39 -0.11 -1.34 0.00 0.00 175.55 173.70 1wgs n LEU 85 N -0.31 -3.06 -4.22 6.97 7.94 -1.26 -4.86 117.00 118.19 1wgs n LEU 85 Ca -0.10 0.09 -0.41 0.00 -1.11 0.00 0.00 56.01 54.48 1wgs n LEU 85 Cb 0.62 -1.63 -0.03 0.00 0.53 0.00 0.00 43.42 42.91 1wgs n LEU 85 CO 0.11 -0.64 0.55 -0.94 -1.11 0.00 0.00 177.39 175.36 1wgs s SER 86 N -1.29 6.63 -0.26 1.96 1.04 -1.26 -4.97 113.70 115.56 1wgs s SER 86 Ca 0.23 -3.62 -0.29 0.00 0.48 0.00 0.00 55.95 52.75 1wgs s SER 86 Cb -0.02 -2.06 0.17 0.00 0.10 0.00 0.00 66.02 64.21 1wgs s SER 86 CO 0.52 -0.25 1.27 -0.70 0.98 0.00 0.00 173.24 175.06 1wgs s GLU 87 N -1.24 0.21 0.00 4.02 2.12 -1.26 -5.18 118.70 117.37 1wgs s GLU 87 Ca 0.28 0.08 0.00 0.00 0.36 0.00 0.00 54.97 55.69 1wgs s GLU 87 Cb -0.09 0.10 0.00 0.00 0.26 0.00 0.00 34.13 34.40 1wgs s GLU 87 CO -0.10 -0.06 0.00 -0.11 -0.54 0.00 0.00 175.26 174.45 1wgs n LEU 88 N 0.79 0.00 0.00 2.70 -0.00 -1.26 -5.19 117.00 114.03 1wgs n LEU 88 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 1wgs n LEU 88 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1wgs n LEU 88 CO 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.47 1wgs n ALA 89 N -0.10 0.00 -1.98 1.96 0.00 -1.26 -5.04 120.51 114.08 1wgs n ALA 89 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1wgs n ALA 89 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.27 1.64 -0.96 0.00 4.07 -1.26 -4.93 120.64 118.93 1wgs n GLU 90 Ca 0.00 -2.43 -0.35 0.00 -0.06 0.00 0.00 57.16 54.32 1wgs n GLU 90 Cb 0.00 -3.64 0.08 0.00 -0.06 0.00 0.00 31.44 27.82 1wgs n GLU 90 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 1wgs n GLN 91 N 8.14 -0.08 -2.40 5.31 6.02 -1.26 -4.84 117.38 128.27 1wgs n GLN 91 Ca 0.46 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 57.02 1wgs n GLN 91 Cb 0.46 -1.51 -0.02 0.00 1.02 0.00 0.00 30.24 30.19 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 -2.79 4.18 -0.45 -1.09 0.04 -1.26 -4.94 135.00 128.69 1wgs s PRO 92 Ca 0.52 1.62 0.06 0.00 0.04 0.00 0.00 61.00 63.24 1wgs s PRO 92 Cb -0.24 -3.79 0.20 0.00 0.04 0.00 0.00 34.50 30.70 1wgs s PRO 92 CO 0.71 -0.78 0.55 -1.91 0.04 0.00 0.00 177.00 175.61 1wgs n GLU 93 N 6.75 0.43 -3.65 4.56 2.13 -1.26 -5.11 120.64 124.49 1wgs n GLU 93 Ca 0.14 -2.68 -0.02 0.00 0.66 0.00 0.00 57.16 55.27 1wgs n GLU 93 Cb 0.45 -1.52 -0.05 0.00 0.27 0.00 0.00 31.44 30.59 1wgs n GLU 93 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 1wgs s ARG 94 N 0.19 0.03 -0.25 5.31 1.70 -1.26 -5.13 118.95 119.54 1wgs s ARG 94 Ca 0.32 0.02 -0.19 0.00 -0.47 0.00 0.00 55.73 55.41 1wgs s ARG 94 Cb 0.07 0.02 -0.02 0.00 -0.57 0.00 0.00 34.95 34.44 1wgs s ARG 94 CO -0.15 -0.01 0.56 0.21 -1.08 0.00 0.00 175.30 174.83 1wgs s LYS 95 N -0.71 4.10 1.05 3.89 2.47 -1.26 -5.04 119.74 124.24 1wgs s LYS 95 Ca 0.09 0.42 -0.23 0.00 -1.56 0.00 0.00 55.97 54.69 1wgs s LYS 95 Cb -0.02 -3.64 -0.06 0.00 -1.46 0.00 0.00 37.83 32.65 1wgs s LYS 95 CO -0.11 -0.35 -0.77 -0.89 0.16 0.00 0.00 175.35 173.40 1wgs n ILE 96 N 5.10 0.00 -3.53 5.43 2.08 -1.26 -4.94 119.36 122.23 1wgs n ILE 96 Ca -0.03 -0.17 -0.27 0.00 0.56 0.00 0.00 62.75 62.84 1wgs n ILE 96 Cb 0.49 -0.28 -0.09 0.00 -0.75 0.00 0.00 39.64 39.01 1wgs n ILE 96 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 1wgs n THR 97 N -3.79 1.04 -2.49 1.39 -2.24 -1.26 -5.03 114.28 101.89 1wgs n THR 97 Ca -0.00 -4.62 -0.39 0.00 -2.27 0.00 0.00 64.05 56.77 1wgs n THR 97 Cb 0.68 -2.03 -0.03 0.00 -2.10 0.00 0.00 70.33 66.85 1wgs n THR 97 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1wgs s ARG 98 N -1.53 3.54 -0.12 -0.78 3.00 -1.26 -4.96 118.95 116.84 1wgs s ARG 98 Ca 0.33 -1.26 -0.14 0.00 -1.00 0.00 0.00 55.73 53.66 1wgs s ARG 98 Cb 0.07 -5.37 -0.05 0.00 0.00 0.00 0.00 34.95 29.61 1wgs s ARG 98 CO -0.11 -2.42 0.34 0.54 0.00 0.00 0.00 175.30 173.64 1wgs s ASN 99 N 5.17 6.55 -0.10 -2.12 4.22 -1.26 -5.08 114.94 122.33 1wgs s ASN 99 Ca 0.52 0.65 -0.01 0.00 -2.14 0.00 0.00 52.86 51.87 1wgs s ASN 99 Cb 0.00 -2.20 -0.03 0.00 1.28 0.00 0.00 41.25 40.30 1wgs s ASN 99 CO -0.03 0.15 -0.05 0.00 -2.04 0.00 0.00 177.10 175.12 1wgs s GLN 100 N 0.07 3.08 -0.20 3.55 -2.07 -1.26 -5.10 119.66 117.72 1wgs s GLN 100 Ca 0.19 -0.53 -0.08 0.00 -1.82 0.00 0.00 55.36 53.13 1wgs s GLN 100 Cb -0.14 -2.71 -0.04 0.00 -1.09 0.00 0.00 33.01 29.03 1wgs s GLN 100 CO 0.07 0.52 0.07 0.21 -1.32 0.00 0.00 175.29 174.84 1wgs s LYS 101 N -0.42 3.91 -0.01 9.60 2.36 -1.26 -5.09 119.74 128.83 1wgs s LYS 101 Ca 0.06 -0.37 0.04 0.00 -2.55 0.00 0.00 55.97 53.15 1wgs s LYS 101 Cb -0.12 -3.26 -0.03 0.00 -1.05 0.00 0.00 37.83 33.37 1wgs s LYS 101 CO 0.02 0.16 -0.11 0.50 1.55 0.00 0.00 175.35 177.47 1wgs s ARG 102 N 0.69 2.46 0.31 4.03 3.52 -1.26 -5.13 118.95 123.57 1wgs s ARG 102 Ca 0.04 -0.75 0.08 0.00 -0.13 0.00 0.00 55.73 54.96 1wgs s ARG 102 Cb -0.13 -2.42 -0.03 0.00 -1.56 0.00 0.00 34.95 30.81 1wgs s ARG 102 CO 0.02 0.60 0.21 0.21 -0.81 0.00 0.00 175.30 175.53 1wgs s LYS 103 N -1.19 2.68 0.02 5.12 2.20 -1.26 -5.14 119.74 122.17 1wgs s LYS 103 Ca 0.15 -1.28 -0.13 0.00 -0.36 0.00 0.00 55.97 54.35 1wgs s LYS 103 Cb -0.11 -2.42 0.02 0.00 -1.51 0.00 0.00 37.83 33.81 1wgs s LYS 103 CO 0.05 0.21 0.27 -1.01 -0.36 0.00 0.00 175.35 174.51 1wgs s HIS 104 N -2.28 -0.09 0.03 4.03 3.76 -1.26 -5.17 115.29 114.31 1wgs s HIS 104 Ca 0.37 0.02 -0.14 0.00 -0.15 0.00 0.00 55.06 55.17 1wgs s HIS 104 Cb -0.06 0.06 0.02 0.00 1.11 0.00 0.00 32.58 33.71 1wgs s HIS 104 CO 0.25 -0.43 0.30 -0.51 -0.85 0.00 0.00 174.74 173.50 1wgs s ASP 105 N -1.75 -0.13 -0.13 1.40 1.11 -1.26 -5.15 116.67 110.76 1wgs s ASP 105 Ca -0.09 -0.15 -0.14 0.00 0.18 0.00 0.00 52.55 52.35 1wgs s ASP 105 Cb -0.03 0.35 -0.05 0.00 1.07 0.00 0.00 42.92 44.26 1wgs s ASP 105 CO -0.00 -0.58 0.32 -0.70 1.18 0.00 0.00 175.17 175.38 1wgs s GLU 106 N -2.34 4.17 0.89 8.23 2.56 -1.26 -5.07 118.70 125.88 1wgs s GLU 106 Ca -0.06 0.17 -0.11 0.00 0.00 0.00 0.00 54.97 54.96 1wgs s GLU 106 Cb -0.02 -3.38 0.13 0.00 2.00 0.00 0.00 34.13 32.86 1wgs s GLU 106 CO -0.02 0.32 1.10 0.96 -0.56 0.00 0.00 175.26 177.06 1wgs s ILE 107 N 0.19 2.65 -0.00 -3.70 -5.25 -1.26 -5.06 121.20 108.77 1wgs s ILE 107 Ca 0.19 0.21 -0.10 0.00 -0.99 0.00 0.00 60.65 59.96 1wgs s ILE 107 Cb -0.14 -2.54 0.01 0.00 2.95 0.00 0.00 42.46 42.74 1wgs s ILE 107 CO 0.06 -0.28 0.20 0.20 -1.79 0.00 0.00 174.94 173.33 1wgs s ASN 108 N -3.14 -0.05 -0.09 4.36 0.01 -1.26 -5.15 114.94 109.62 1wgs s ASN 108 Ca 0.64 -0.11 -0.01 0.00 -0.71 0.00 0.00 52.86 52.67 1wgs s ASN 108 Cb -0.20 0.24 0.03 0.00 0.41 0.00 0.00 41.25 41.74 1wgs s ASN 108 CO 0.58 -0.40 -0.00 -2.28 -1.51 0.00 0.00 177.10 173.48 1wgs s HIS 109 N -1.39 0.77 0.96 2.20 2.46 -1.26 -5.13 115.29 113.90 1wgs s HIS 109 Ca -0.14 -0.30 -0.16 0.00 0.47 0.00 0.00 55.06 54.93 1wgs s HIS 109 Cb -0.07 -0.86 -0.11 0.00 -0.13 0.00 0.00 32.58 31.41 1wgs s HIS 109 CO 0.02 -0.38 -0.50 1.55 -2.47 0.00 0.00 174.74 172.96 1wgs n VAL 110 N 5.12 0.04 -4.38 0.89 3.14 -1.26 -4.99 118.33 116.89 1wgs n VAL 110 Ca -0.08 -0.43 -0.19 0.00 -2.96 0.00 0.00 64.34 60.68 1wgs n VAL 110 Cb 0.50 -0.14 -0.10 0.00 -1.06 0.00 0.00 33.84 33.03 1wgs n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgs s GLN 111 N -2.31 1.42 -0.19 1.45 1.03 -1.26 -5.15 119.66 114.65 1wgs s GLN 111 Ca 0.45 -1.68 -0.35 0.00 0.04 0.00 0.00 55.36 53.82 1wgs s GLN 111 Cb -0.20 -1.06 0.14 0.00 0.03 0.00 0.00 33.01 31.92 1wgs s GLN 111 CO 0.79 0.08 1.23 -1.59 -2.54 0.00 0.00 175.29 173.26 1wgs s LYS 112 N -3.71 0.28 0.04 9.60 -2.85 -1.26 -5.18 119.74 116.66 1wgs s LYS 112 Ca 0.26 -0.11 0.01 0.00 -1.00 0.00 0.00 55.97 55.13 1wgs s LYS 112 Cb 0.02 0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.89 1wgs s LYS 112 CO 0.09 -0.12 -0.05 0.95 0.10 0.00 0.00 175.35 176.31 1wgs s THR 113 N -2.38 0.33 -0.29 3.79 -4.23 -1.26 -5.15 115.64 106.45 1wgs s THR 113 Ca 0.10 -1.19 -0.16 0.00 -1.18 0.00 0.00 61.69 59.26 1wgs s THR 113 Cb -0.01 -0.69 0.17 0.00 1.34 0.00 0.00 72.50 73.31 1wgs s THR 113 CO -0.04 -0.56 1.10 -0.47 -0.54 0.00 0.00 174.62 174.10 1wgs s TYR 114 N -1.98 -0.37 0.00 3.99 6.14 -1.26 -5.16 117.35 118.71 1wgs s TYR 114 Ca -0.08 0.72 0.00 0.00 0.64 0.00 0.00 57.07 58.35 1wgs s TYR 114 Cb -0.06 0.22 0.00 0.00 0.42 0.00 0.00 41.96 42.54 1wgs s TYR 114 CO -0.02 -0.18 0.00 0.00 0.64 0.00 0.00 175.55 175.99 1wgs n ALA 115 N 3.64 0.00 -3.17 3.97 0.00 -1.26 -5.16 120.51 118.53 1wgs n ALA 115 Ca -0.17 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.32 1wgs n ALA 115 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.99 1wgs n ALA 115 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1wgs s GLU 116 N 0.00 0.07 0.42 0.00 4.04 -1.26 -5.18 118.70 116.80 1wgs s GLU 116 Ca 0.00 0.15 0.07 0.00 0.04 0.00 0.00 54.97 55.23 1wgs s GLU 116 Cb 0.00 0.08 -0.03 0.00 0.02 0.00 0.00 34.13 34.20 1wgs s GLU 116 CO 0.00 -0.06 0.27 -1.64 -1.84 0.00 0.00 175.26 171.98 1wgs s MET 117 N 2.72 2.35 -0.01 -4.83 -1.94 -1.26 -5.13 119.30 111.20 1wgs s MET 117 Ca -0.05 -1.74 -0.08 0.00 -1.71 0.00 0.00 55.69 52.10 1wgs s MET 117 Cb -0.07 -2.14 -0.05 0.00 2.01 0.00 0.00 34.83 34.59 1wgs s MET 117 CO -0.10 -0.18 0.28 0.16 -0.01 0.00 0.00 175.02 175.17 1wgs s ASP 118 N -4.01 6.54 -0.07 3.03 1.47 -1.26 -5.03 116.67 117.35 1wgs s ASP 118 Ca 0.43 0.63 -0.14 0.00 1.18 0.00 0.00 52.55 54.66 1wgs s ASP 118 Cb 0.01 -2.12 -0.10 0.00 -0.34 0.00 0.00 42.92 40.37 1wgs s ASP 118 CO 0.24 0.29 0.54 1.55 0.68 0.00 0.00 175.17 178.47 1wgs h PRO 119 N 4.26 -0.25 -2.42 2.11 0.13 -2.09 -3.49 132.00 130.25 1wgs h PRO 119 Ca -0.51 0.02 0.13 0.00 -0.87 0.00 0.00 66.00 64.77 1wgs h PRO 119 Cb 1.21 0.06 -0.11 0.00 0.13 0.00 0.00 31.00 32.29 1wgs h PRO 119 CO 0.64 0.01 0.45 -0.08 -0.23 0.00 0.00 178.00 178.79 1wgs s THR 120 N -2.79 0.00 -0.03 1.56 -1.32 -1.26 -5.18 115.64 106.61 1wgs s THR 120 Ca -0.08 -0.41 -0.29 0.00 -1.21 0.00 0.00 61.69 59.70 1wgs s THR 120 Cb 0.00 -1.58 0.06 0.00 -1.51 0.00 0.00 72.50 69.47 1wgs s THR 120 CO 0.28 0.00 0.63 0.28 -2.21 0.00 0.00 174.62 173.60 1wgs s THR 121 N -3.31 0.01 0.04 5.08 -1.32 -1.26 -5.18 115.64 109.69 1wgs s THR 121 Ca 0.09 -0.05 -0.28 0.00 -1.21 0.00 0.00 61.69 60.24 1wgs s THR 121 Cb -0.02 -0.97 0.10 0.00 -1.51 0.00 0.00 72.50 70.11 1wgs s THR 121 CO -0.02 -0.03 1.21 0.00 -2.21 0.00 0.00 174.62 173.57 1wgs s ALA 122 N -1.42 -2.13 0.46 11.08 0.00 -1.26 -5.19 121.76 123.29 1wgs s ALA 122 Ca -0.10 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.12 1wgs s ALA 122 Cb -0.01 0.63 -0.00 0.00 0.00 0.00 0.00 23.12 23.74 1wgs s ALA 122 CO 0.08 -1.09 0.04 0.00 0.00 0.00 0.00 175.76 174.79 1wgs n ALA 123 N -0.65 0.45 -2.00 0.00 0.00 -1.26 -5.15 120.51 111.90 1wgs n ALA 123 Ca -0.04 -2.11 0.00 0.00 0.00 0.00 0.00 53.44 51.29 1wgs n ALA 123 Cb 0.61 1.23 0.00 0.00 0.00 0.00 0.00 19.45 21.29 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 0.00 -3.32 0.00 4.77 -1.26 -5.15 117.00 112.04 1wgs n LEU 124 Ca -0.16 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.85 1wgs n LEU 124 Cb 0.60 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.65 1wgs n LEU 124 CO 0.32 0.00 0.92 -0.70 -1.33 0.00 0.00 177.39 176.60 1wgs s GLU 125 N 2.00 0.05 -0.38 3.23 2.12 -1.26 -5.13 118.70 119.34 1wgs s GLU 125 Ca 0.00 0.12 -0.05 0.00 0.36 0.00 0.00 54.97 55.40 1wgs s GLU 125 Cb 0.00 0.06 0.08 0.00 0.26 0.00 0.00 34.13 34.53 1wgs s GLU 125 CO 0.00 -0.02 0.17 0.15 -0.54 0.00 0.00 175.26 175.03 1wgs s LYS 126 N 1.80 2.35 0.19 4.30 -0.14 -1.26 -5.05 119.74 121.92 1wgs s LYS 126 Ca -0.02 -1.53 -0.14 0.00 -1.36 0.00 0.00 55.97 52.92 1wgs s LYS 126 Cb -0.01 -3.56 0.01 0.00 -1.68 0.00 0.00 37.83 32.59 1wgs s LYS 126 CO -0.15 -0.91 0.44 -2.00 -0.76 0.00 0.00 175.35 171.98 1wgs s GLU 127 N 1.28 1.32 0.26 1.68 2.12 -1.26 -5.18 118.70 118.92 1wgs s GLU 127 Ca 0.03 -1.00 -0.19 0.00 0.36 0.00 0.00 54.97 54.18 1wgs s GLU 127 Cb -0.22 0.47 0.02 0.00 0.26 0.00 0.00 34.13 34.65 1wgs s GLU 127 CO -0.01 -0.53 0.63 -1.54 -0.54 0.00 0.00 175.26 173.27 1wgs s SER 128 N -2.91 -0.23 -0.30 -1.70 1.04 -1.26 -5.15 113.70 103.19 1wgs s SER 128 Ca 0.13 -0.66 -0.00 0.00 0.48 0.00 0.00 55.95 55.90 1wgs s SER 128 Cb 0.00 0.67 0.19 0.00 0.10 0.00 0.00 66.02 66.99 1wgs s SER 128 CO -0.01 -1.25 0.76 -0.83 0.98 0.00 0.00 173.24 172.88 1wgs s GLY 129 N -2.93 -1.16 0.86 7.32 0.00 -1.26 -5.17 107.32 104.97 1wgs s GLY 129 Ca 0.13 1.38 -0.15 0.00 0.00 0.00 0.00 44.72 46.08 1wgs s GLY 129 CO 0.06 3.85 0.95 -1.55 0.00 0.00 0.00 173.10 176.40 1wgs n PRO 130 N 5.22 -1.83 -4.43 2.90 -0.04 -1.26 -5.10 135.00 130.46 1wgs n PRO 130 Ca 0.07 -1.48 -0.21 0.00 -0.04 0.00 0.00 63.50 61.83 1wgs n PRO 130 Cb 0.56 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.75 1wgs n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgs s SER 131 N -4.31 2.15 0.41 3.54 0.15 -1.26 -5.17 113.70 109.20 1wgs s SER 131 Ca 0.57 -1.50 0.03 0.00 0.70 0.00 0.00 55.95 55.76 1wgs s SER 131 Cb -0.03 0.21 -0.03 0.00 -1.71 0.00 0.00 66.02 64.46 1wgs s SER 131 CO 0.42 -0.77 0.09 -0.94 1.20 0.00 0.00 173.24 173.24 1wgs s SER 132 N -3.47 2.95 0.00 5.45 1.04 -1.26 -5.37 113.70 113.03 1wgs s SER 132 Ca 0.33 -1.60 0.16 0.00 0.48 0.00 0.00 55.95 55.32 1wgs s SER 132 Cb 0.06 0.36 0.98 0.00 0.10 0.00 0.00 66.02 67.52 1wgs s SER 132 CO 0.15 -0.84 1.39 0.61 0.98 0.00 0.00 173.24 175.53