#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgs n SER 2 N 0.00 -6.30 -4.65 1.61 3.41 -1.26 -4.85 113.62 101.58 1wgs n SER 2 Ca 0.00 0.25 -0.42 0.00 -0.26 0.00 0.00 58.87 58.45 1wgs n SER 2 Cb 0.00 -2.01 -0.04 0.00 -0.26 0.00 0.00 64.21 61.90 1wgs n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1wgs s SER 3 N -1.30 6.87 0.00 4.04 1.04 -1.26 -4.96 113.70 118.14 1wgs s SER 3 Ca 0.17 1.08 0.00 0.00 0.48 0.00 0.00 55.95 57.68 1wgs s SER 3 Cb -0.02 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.66 1wgs s SER 3 CO 0.43 -0.46 0.00 0.61 0.98 0.00 0.00 173.24 174.81 1wgs n GLY 4 N 3.63 0.96 2.65 7.32 0.00 -1.26 -5.13 105.19 113.37 1wgs n GLY 4 Ca 0.05 -0.77 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 1wgs n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wgs s SER 5 N 0.10 3.56 -0.33 1.61 0.01 -1.26 -5.05 113.70 112.34 1wgs s SER 5 Ca 0.00 -1.31 -0.01 0.00 1.31 0.00 0.00 55.95 55.93 1wgs s SER 5 Cb 0.00 -0.59 0.19 0.00 0.21 0.00 0.00 66.02 65.83 1wgs s SER 5 CO 0.00 -0.40 0.83 -0.55 0.41 0.00 0.00 173.24 173.52 1wgs s SER 6 N 1.87 -0.99 0.00 2.44 0.15 -1.26 -5.03 113.70 110.88 1wgs s SER 6 Ca 0.07 -0.19 0.00 0.00 0.70 0.00 0.00 55.95 56.53 1wgs s SER 6 Cb -0.17 1.43 0.00 0.00 -1.71 0.00 0.00 66.02 65.57 1wgs s SER 6 CO -0.26 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.65 1wgs n GLY 7 N 4.65 0.82 0.00 9.45 0.00 -1.26 -4.27 105.19 114.57 1wgs n GLY 7 Ca 0.08 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.47 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 0.00 -2.31 1.61 1.02 -1.26 -5.07 120.64 114.63 1wgs n GLU 8 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 1wgs n GLU 8 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.38 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 0.00 3.09 -1.23 3.49 0.04 -1.26 -4.89 135.00 134.25 1wgs s PRO 9 Ca 0.00 -0.74 -0.11 0.00 0.04 0.00 0.00 61.00 60.20 1wgs s PRO 9 Cb 0.00 -5.22 0.19 0.00 0.04 0.00 0.00 34.50 29.51 1wgs s PRO 9 CO 0.00 -2.78 1.62 0.39 0.04 0.00 0.00 177.00 176.27 1wgs n GLU 10 N 8.86 3.58 -0.17 4.56 -0.58 -1.26 -4.97 120.64 130.66 1wgs n GLU 10 Ca 0.37 -3.80 0.00 0.00 -0.42 0.00 0.00 57.16 53.31 1wgs n GLU 10 Cb 0.49 -2.92 0.00 0.00 -0.57 0.00 0.00 31.44 28.44 1wgs n GLU 10 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 1wgs n VAL 11 N 3.65 0.00 -3.59 2.62 3.14 -1.26 -5.00 118.33 117.89 1wgs n VAL 11 Ca 0.36 0.00 -0.06 0.00 -2.96 0.00 0.00 64.34 61.69 1wgs n VAL 11 Cb 0.39 -1.76 -0.03 0.00 -1.06 0.00 0.00 33.84 31.38 1wgs n VAL 11 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1wgs s THR 12 N -0.24 0.00 0.08 1.55 2.01 -1.26 -5.18 115.64 112.60 1wgs s THR 12 Ca 0.00 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.06 1wgs s THR 12 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 1wgs s THR 12 CO 0.00 0.00 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.07 1wgs s VAL 13 N -2.06 1.39 -0.02 3.82 1.01 -1.26 -5.02 120.40 118.26 1wgs s VAL 13 Ca 0.07 -1.35 0.08 0.00 0.00 0.00 0.00 61.98 60.77 1wgs s VAL 13 Cb -0.01 -1.28 -0.02 0.00 0.00 0.00 0.00 36.38 35.07 1wgs s VAL 13 CO -0.05 -0.10 -0.25 -1.61 0.00 0.00 0.00 175.10 173.09 1wgs s GLU 14 N -1.69 2.08 0.37 2.72 2.02 -1.26 -5.13 118.70 117.82 1wgs s GLU 14 Ca 0.02 -0.91 -0.10 0.00 0.02 0.00 0.00 54.97 54.01 1wgs s GLU 14 Cb -0.10 -2.00 -0.06 0.00 0.10 0.00 0.00 34.13 32.07 1wgs s GLU 14 CO 0.03 0.54 0.72 0.42 0.02 0.00 0.00 175.26 176.98 1wgs s ILE 15 N -0.57 4.83 0.00 -1.63 -1.09 -1.26 -3.95 121.20 117.53 1wgs s ILE 15 Ca 0.09 0.53 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 1wgs s ILE 15 Cb -0.10 -3.72 0.00 0.00 -1.58 0.00 0.00 42.46 37.06 1wgs s ILE 15 CO -0.01 -0.44 0.00 0.61 -1.23 0.00 0.00 174.94 173.88 1wgs n GLY 16 N -1.11 2.74 3.91 6.18 0.00 -0.66 -5.00 105.19 111.25 1wgs n GLY 16 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N -0.00 3.03 -0.06 1.61 2.02 -1.25 -4.75 118.70 119.28 1wgs s GLU 17 Ca 0.00 0.17 -0.01 0.00 0.02 0.00 0.00 54.97 55.15 1wgs s GLU 17 Cb 0.00 -2.22 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1wgs s GLU 17 CO 0.00 -0.70 0.01 0.99 0.02 0.00 0.00 175.26 175.57 1wgs s THR 18 N -3.05 4.31 0.20 3.63 2.01 -1.26 -1.13 115.64 120.35 1wgs s THR 18 Ca 0.54 -0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.23 1wgs s THR 18 Cb -0.11 -2.84 -0.05 0.00 0.01 0.00 0.00 72.50 69.51 1wgs s THR 18 CO 0.47 0.54 0.01 -0.31 -0.69 0.00 0.00 174.62 174.65 1wgs s TYR 19 N -0.95 1.35 -0.35 4.92 1.51 0.26 -4.89 117.35 119.20 1wgs s TYR 19 Ca 0.15 -1.02 -0.24 0.00 -1.01 0.00 0.00 57.07 54.96 1wgs s TYR 19 Cb -0.11 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 40.97 1wgs s TYR 19 CO 0.05 -0.18 0.83 -0.51 -1.11 0.00 0.00 175.55 174.62 1wgs s LEU 20 N -3.23 4.08 -0.11 -1.29 2.01 -1.26 0.80 118.68 119.68 1wgs s LEU 20 Ca 0.27 0.49 -0.05 0.00 0.01 0.00 0.00 54.13 54.84 1wgs s LEU 20 Cb 0.06 -3.11 -0.04 0.00 0.01 0.00 0.00 46.19 43.12 1wgs s LEU 20 CO 0.07 -0.74 0.09 0.00 1.01 0.00 0.00 176.35 176.77 1wgs s ARG 22 N -0.89 4.37 -0.05 0.00 3.52 -0.82 -0.78 118.95 124.30 1wgs s ARG 22 Ca 0.14 2.13 -0.01 0.00 -0.13 0.00 0.00 55.73 57.86 1wgs s ARG 22 Cb -0.12 -3.15 0.03 0.00 -1.56 0.00 0.00 34.95 30.15 1wgs s ARG 22 CO 0.03 -0.24 0.01 1.03 -0.81 0.00 0.00 175.30 175.32 1wgs s ARG 23 N -0.62 0.36 -0.78 5.12 0.52 -1.23 -4.88 118.95 117.44 1wgs s ARG 23 Ca 0.55 0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.83 1wgs s ARG 23 Cb -0.38 -0.69 -0.12 0.00 0.52 0.00 0.00 34.95 34.29 1wgs s ARG 23 CO 0.43 -0.23 2.61 -0.35 0.02 0.00 0.00 175.30 177.77 1wgs n PRO 24 N 4.74 2.32 0.00 3.54 -0.04 -1.26 -3.59 135.00 140.72 1wgs n PRO 24 Ca -0.14 -1.41 0.00 0.00 -0.04 0.00 0.00 63.50 61.91 1wgs n PRO 24 Cb 0.50 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 1wgs n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wgs n ASP 25 N 3.47 0.05 0.00 3.54 2.03 -1.26 -5.04 116.55 119.34 1wgs n ASP 25 Ca 0.50 0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.81 1wgs n ASP 25 Cb 0.36 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 40.74 1wgs n ASP 25 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1wgs n SER 26 N -2.98 0.00 -0.78 1.67 2.88 -1.24 -5.16 113.62 108.01 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1wgs n SER 26 Cb 0.43 0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1wgs n THR 27 N -1.40 0.00 -2.29 2.46 -2.24 -1.26 -5.07 114.28 104.49 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 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 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 -6.27 3.24 -0.10 4.78 0.52 -1.26 -3.50 118.94 116.35 1wgs s TRP 28 Ca 0.00 1.50 -0.02 0.00 0.02 0.00 0.00 56.10 57.59 1wgs s TRP 28 Cb 0.00 -2.89 0.04 0.00 -1.15 0.00 0.00 33.47 29.46 1wgs s TRP 28 CO 0.00 -0.67 0.03 -1.01 0.02 0.00 0.00 176.95 175.31 1wgs s HIS 29 N -2.50 0.57 0.56 -1.98 3.76 0.04 -4.92 115.29 110.81 1wgs s HIS 29 Ca 0.61 -0.23 -0.18 0.00 -0.15 0.00 0.00 55.06 55.12 1wgs s HIS 29 Cb -0.13 -0.77 -0.12 0.00 1.11 0.00 0.00 32.58 32.67 1wgs s HIS 29 CO 0.32 -0.37 0.10 0.43 -0.85 0.00 0.00 174.74 174.37 1wgs n SER 30 N 5.17 -2.76 -3.64 1.40 7.64 -1.26 -2.35 113.62 117.82 1wgs n SER 30 Ca -0.07 0.66 -0.09 0.00 1.01 0.00 0.00 58.87 60.38 1wgs n SER 30 Cb 0.49 -0.97 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 1wgs n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgs s ALA 31 N -1.90 -1.80 -0.01 -0.43 0.00 0.24 -4.38 121.76 113.48 1wgs s ALA 31 Ca 0.61 2.27 -0.30 0.00 0.00 0.00 0.00 51.96 54.54 1wgs s ALA 31 Cb -0.46 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.29 1wgs s ALA 31 CO 0.62 -0.36 1.09 -1.83 0.00 0.00 0.00 175.76 175.29 1wgs s GLU 32 N 1.32 4.46 -0.67 0.00 -1.05 0.18 -0.57 118.70 122.37 1wgs s GLU 32 Ca -0.08 1.57 -0.27 0.00 -0.15 0.00 0.00 54.97 56.04 1wgs s GLU 32 Cb -0.05 -3.45 0.02 0.00 -0.44 0.00 0.00 34.13 30.21 1wgs s GLU 32 CO -0.15 -0.23 1.33 0.08 0.95 0.00 0.00 175.26 177.24 1wgs s VAL 33 N 1.39 3.76 0.03 1.83 1.01 -0.28 0.16 120.40 128.30 1wgs s VAL 33 Ca 0.54 0.53 -0.24 0.00 0.00 0.00 0.00 61.98 62.81 1wgs s VAL 33 Cb -0.24 -4.74 -0.13 0.00 0.00 0.00 0.00 36.38 31.27 1wgs s VAL 33 CO 0.26 -1.59 1.22 0.40 0.00 0.00 0.00 175.10 175.39 1wgs h ILE 34 N 6.17 0.00 -3.04 2.22 1.08 0.15 -1.75 117.51 122.35 1wgs h ILE 34 Ca -0.27 -0.11 -0.11 0.00 -0.39 0.00 0.00 64.86 63.98 1wgs h ILE 34 Cb 1.07 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1wgs h ILE 34 CO 1.24 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 178.74 1wgs n GLN 35 N -4.64 0.61 -4.37 2.37 1.13 -1.20 -4.47 117.38 106.81 1wgs n GLN 35 Ca -0.11 -1.70 -0.19 0.00 -1.94 0.00 0.00 57.00 53.06 1wgs n GLN 35 Cb 0.34 1.84 -0.10 0.00 0.11 0.00 0.00 30.24 32.43 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 -2.43 2.16 0.18 1.08 1.04 -1.26 -0.29 113.70 114.18 1wgs s SER 36 Ca 0.15 -1.23 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 1wgs s SER 36 Cb -0.02 -0.05 0.06 0.00 0.10 0.00 0.00 66.02 66.11 1wgs s SER 36 CO 0.11 -0.48 0.64 0.00 0.98 0.00 0.00 173.24 174.50 1wgs s ARG 37 N -3.83 1.39 -0.02 4.02 1.70 -0.03 -4.94 118.95 117.24 1wgs s ARG 37 Ca 0.30 -0.59 0.05 0.00 -0.47 0.00 0.00 55.73 55.01 1wgs s ARG 37 Cb 0.06 0.59 -0.01 0.00 -0.57 0.00 0.00 34.95 35.01 1wgs s ARG 37 CO 0.10 -0.62 -0.16 0.08 -1.08 0.00 0.00 175.30 173.63 1wgs s VAL 38 N -3.77 1.29 -0.18 4.99 1.01 -1.26 -1.87 120.40 120.61 1wgs s VAL 38 Ca 0.04 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.25 1wgs s VAL 38 Cb -0.02 -1.08 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1wgs s VAL 38 CO -0.08 0.37 0.11 0.20 0.00 0.00 0.00 175.10 175.70 1wgs s ASN 39 N -0.29 6.07 -0.19 3.32 -0.87 0.31 -4.98 114.94 118.30 1wgs s ASN 39 Ca 0.04 0.22 -0.16 0.00 -1.57 0.00 0.00 52.86 51.40 1wgs s ASN 39 Cb -0.07 -2.04 -0.20 0.00 -0.02 0.00 0.00 41.25 38.91 1wgs s ASN 39 CO -0.00 0.21 0.18 0.47 -2.57 0.00 0.00 177.10 175.39 1wgs n ASP 40 N 3.29 1.95 -0.08 -1.22 8.00 -1.26 -1.06 116.55 126.16 1wgs n ASP 40 Ca -0.17 0.33 -0.09 0.00 0.71 0.00 0.00 54.79 55.58 1wgs n ASP 40 Cb 0.52 -0.90 -0.01 0.00 -0.02 0.00 0.00 41.12 40.71 1wgs n ASP 40 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 1wgs h GLN 41 N -0.66 0.35 0.15 -1.24 1.08 -1.99 -3.15 115.11 109.66 1wgs h GLN 41 Ca -0.42 -0.02 -0.27 0.00 -1.45 0.00 0.00 58.65 56.50 1wgs h GLN 41 Cb 1.57 -0.08 0.01 0.00 -0.05 0.00 0.00 27.48 28.93 1wgs h GLN 41 CO -0.15 0.23 -1.28 0.93 -0.95 0.00 0.00 178.83 177.62 1wgs h GLU 42 N 0.36 0.32 -1.80 1.46 4.39 -1.99 -3.49 114.58 113.83 1wgs h GLU 42 Ca 0.11 -0.54 0.00 0.00 0.34 0.00 0.00 59.36 59.27 1wgs h GLU 42 Cb -0.01 0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1wgs h GLU 42 CO -0.05 1.26 0.00 0.41 -1.16 0.00 0.00 179.01 179.47 1wgs n GLY 43 N 1.73 0.47 3.34 -3.84 0.00 -0.22 -5.07 105.19 101.61 1wgs n GLY 43 Ca -0.21 -0.42 -0.16 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.34 1.69 0.21 1.61 0.52 -1.07 -4.95 118.95 113.63 1wgs s ARG 44 Ca 0.00 -1.84 0.09 0.00 -0.52 0.00 0.00 55.73 53.46 1wgs s ARG 44 Cb 0.00 0.36 -0.04 0.00 0.52 0.00 0.00 34.95 35.78 1wgs s ARG 44 CO 0.00 -0.64 -0.06 -1.21 0.02 0.00 0.00 175.30 173.41 1wgs s GLU 45 N -3.48 2.17 -0.03 3.54 2.02 -1.26 -0.53 118.70 121.13 1wgs s GLU 45 Ca 0.37 -1.32 -0.24 0.00 0.02 0.00 0.00 54.97 53.80 1wgs s GLU 45 Cb 0.02 -2.17 0.05 0.00 0.10 0.00 0.00 34.13 32.13 1wgs s GLU 45 CO 0.22 0.41 0.53 -1.21 0.02 0.00 0.00 175.26 175.22 1wgs s GLU 46 N -3.17 0.91 -0.07 1.61 2.02 -0.78 -4.61 118.70 114.61 1wgs s GLU 46 Ca 0.28 0.05 -0.00 0.00 0.02 0.00 0.00 54.97 55.31 1wgs s GLU 46 Cb -0.08 0.42 0.02 0.00 0.10 0.00 0.00 34.13 34.60 1wgs s GLU 46 CO 0.17 -0.28 -0.03 -0.06 0.02 0.00 0.00 175.26 175.09 1wgs s PHE 47 N -1.34 0.86 -0.80 1.61 0.40 -0.87 -0.85 117.98 116.99 1wgs s PHE 47 Ca -0.12 -0.29 -0.25 0.00 -0.60 0.00 0.00 56.93 55.67 1wgs s PHE 47 Cb -0.02 -0.84 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 1wgs s PHE 47 CO 0.07 -0.32 1.80 -0.47 0.70 0.00 0.00 175.22 177.01 1wgs s TYR 48 N 1.56 1.88 -0.07 0.36 5.04 0.60 -1.24 117.35 125.47 1wgs s TYR 48 Ca -0.01 0.46 -0.12 0.00 -2.44 0.00 0.00 57.07 54.97 1wgs s TYR 48 Cb -0.13 -4.18 -0.05 0.00 0.35 0.00 0.00 41.96 37.95 1wgs s TYR 48 CO -0.04 -1.99 0.28 0.14 -1.34 0.00 0.00 175.55 172.60 1wgs s VAL 49 N 8.79 5.26 -0.16 3.14 -7.23 -1.15 0.18 120.40 129.23 1wgs s VAL 49 Ca 0.63 0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 61.31 1wgs s VAL 49 Cb -0.08 -3.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.26 1wgs s VAL 49 CO 0.07 0.56 -0.04 -2.28 -0.31 0.00 0.00 175.10 173.11 1wgs s HIS 50 N -0.79 3.02 -1.16 2.82 2.46 0.42 -3.35 115.29 118.70 1wgs s HIS 50 Ca 0.19 -0.35 -0.19 0.00 0.47 0.00 0.00 55.06 55.19 1wgs s HIS 50 Cb -0.14 -1.98 0.09 0.00 -0.13 0.00 0.00 32.58 30.42 1wgs s HIS 50 CO 0.08 -0.08 1.53 0.71 -2.47 0.00 0.00 174.74 174.51 1wgs s TYR 51 N 0.47 2.87 0.10 3.88 2.02 -1.26 0.48 117.35 125.91 1wgs s TYR 51 Ca -0.03 -1.45 -0.34 0.00 -0.37 0.00 0.00 57.07 54.88 1wgs s TYR 51 Cb -0.14 -4.61 -0.18 0.00 -0.40 0.00 0.00 41.96 36.62 1wgs s TYR 51 CO 0.03 -1.74 0.82 1.33 -1.57 0.00 0.00 175.55 174.41 1wgs n VAL 52 N 6.14 0.96 0.00 0.71 0.24 -1.26 -1.40 118.33 123.72 1wgs n VAL 52 Ca 0.39 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 62.45 1wgs n VAL 52 Cb 0.47 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.82 1wgs n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgs n GLY 53 N 1.75 2.09 3.22 7.63 0.00 -1.26 -4.99 105.19 113.63 1wgs n GLY 53 Ca 0.19 -0.40 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.41 -0.67 1.61 3.72 -0.49 -4.90 117.46 115.32 1wgs n PHE 54 Ca 0.00 0.24 -0.26 0.00 -0.05 0.00 0.00 57.45 57.38 1wgs n PHE 54 Cb 0.00 -1.53 0.13 0.00 -0.94 0.00 0.00 39.48 37.14 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 -0.66 -2.72 -0.07 4.37 3.02 -1.26 -4.92 115.26 113.02 1wgs n ASN 55 Ca 0.00 -0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.26 1wgs n ASN 55 Cb 0.65 -0.77 -0.04 0.00 -0.61 0.00 0.00 39.78 39.01 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 -2.15 0.00 -1.71 3.52 2.43 -1.93 -3.36 114.38 111.18 1wgs h ARG 56 Ca -0.36 0.00 0.50 0.00 -0.81 0.00 0.00 59.98 59.31 1wgs h ARG 56 Cb 1.04 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.53 1wgs h ARG 56 CO 0.24 0.23 1.24 0.07 -1.51 0.00 0.00 179.97 180.23 1wgs h ARG 57 N -1.00 0.00 -1.08 0.20 -0.00 -2.02 1.34 114.38 111.82 1wgs h ARG 57 Ca -0.07 0.00 0.30 0.00 -0.00 0.00 0.00 59.98 60.22 1wgs h ARG 57 Cb 0.60 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 30.51 1wgs h ARG 57 CO -0.04 0.00 0.76 -0.07 -0.00 0.00 0.00 179.97 180.62 1wgs h LEU 58 N 0.00 0.13 -9.15 0.08 3.38 -1.94 -3.40 115.31 104.41 1wgs h LEU 58 Ca 0.81 0.02 -0.72 0.00 0.09 0.00 0.00 57.88 58.09 1wgs h LEU 58 Cb 3.28 0.00 0.01 0.00 0.09 0.00 0.00 40.66 44.04 1wgs h LEU 58 CO -0.01 0.03 0.95 -0.90 0.09 0.00 0.00 178.44 178.60 1wgs n ASP 59 N -4.32 2.57 -3.71 -0.43 5.75 0.46 -4.89 116.55 111.97 1wgs n ASP 59 Ca 0.24 1.05 -0.12 0.00 -0.01 0.00 0.00 54.79 55.95 1wgs n ASP 59 Cb 1.08 -1.18 -0.07 0.00 -1.03 0.00 0.00 41.12 39.92 1wgs n ASP 59 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1wgs s GLU 60 N 3.72 0.88 0.31 0.11 -1.05 -1.21 -5.03 118.70 116.42 1wgs s GLU 60 Ca 0.98 -0.50 -0.28 0.00 -0.15 0.00 0.00 54.97 55.01 1wgs s GLU 60 Cb -1.01 0.39 -0.09 0.00 -0.44 0.00 0.00 34.13 32.97 1wgs s GLU 60 CO 0.63 -0.30 1.13 -1.58 0.95 0.00 0.00 175.26 176.09 1wgs s TRP 61 N -2.75 3.43 0.07 4.83 0.52 -1.26 -2.91 118.94 120.87 1wgs s TRP 61 Ca -0.04 1.64 0.00 0.00 0.02 0.00 0.00 56.10 57.73 1wgs s TRP 61 Cb -0.00 -3.33 -0.00 0.00 -1.15 0.00 0.00 33.47 28.98 1wgs s TRP 61 CO -0.04 -0.80 0.00 1.33 0.02 0.00 0.00 176.95 177.46 1wgs n VAL 62 N 0.92 0.00 -4.39 4.03 0.24 -0.37 -4.87 118.33 113.90 1wgs n VAL 62 Ca 0.00 -0.33 -0.24 0.00 -2.04 0.00 0.00 64.34 61.73 1wgs n VAL 62 Cb 0.45 0.07 -0.11 0.00 -1.47 0.00 0.00 33.84 32.78 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 -1.38 3.08 0.19 -1.34 1.11 -1.26 -2.04 116.67 115.02 1wgs s ASP 63 Ca 0.00 -0.90 -0.12 0.00 0.18 0.00 0.00 52.55 51.71 1wgs s ASP 63 Cb 0.00 -0.21 0.20 0.00 1.07 0.00 0.00 42.92 43.98 1wgs s ASP 63 CO 0.00 0.02 1.74 0.11 1.18 0.00 0.00 175.17 178.22 1wgs h LYS 64 N 3.05 0.31 -0.38 8.23 1.57 -1.92 0.13 116.57 127.55 1wgs h LYS 64 Ca -0.43 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.35 1wgs h LYS 64 Cb 1.22 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1wgs h LYS 64 CO 0.52 0.21 0.20 -0.97 -0.57 0.00 0.00 179.45 178.84 1wgs h ASN 65 N 0.32 0.30 0.27 0.86 -1.24 -1.97 0.81 115.58 114.94 1wgs h ASN 65 Ca 0.26 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.28 1wgs h ASN 65 Cb 0.31 -0.05 -0.00 0.00 0.73 0.00 0.00 38.32 39.31 1wgs h ASN 65 CO -0.29 0.22 -0.00 0.03 -1.29 0.00 0.00 177.43 176.11 1wgs h ARG 66 N 0.41 0.00 -7.06 6.67 3.08 -1.58 -3.42 114.38 112.48 1wgs h ARG 66 Ca 0.16 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.76 1wgs h ARG 66 Cb 0.05 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.17 1wgs h ARG 66 CO -0.10 0.00 0.08 -0.51 -1.07 0.00 0.00 179.97 178.37 1wgs s LEU 67 N -6.16 3.06 -0.40 3.04 1.43 0.31 -1.95 118.68 118.00 1wgs s LEU 67 Ca -0.03 -0.07 -0.09 0.00 -1.03 0.00 0.00 54.13 52.90 1wgs s LEU 67 Cb 0.12 -2.52 0.07 0.00 0.03 0.00 0.00 46.19 43.88 1wgs s LEU 67 CO 0.45 -1.56 0.24 0.00 0.23 0.00 0.00 176.35 175.70 1wgs s ALA 68 N -3.03 3.26 -0.40 4.21 0.00 -0.94 -4.94 121.76 119.93 1wgs s ALA 68 Ca 0.62 -2.06 -0.03 0.00 0.00 0.00 0.00 51.96 50.49 1wgs s ALA 68 Cb -0.08 -2.60 0.10 0.00 0.00 0.00 0.00 23.12 20.54 1wgs s ALA 68 CO 0.42 -1.59 0.18 -0.51 0.00 0.00 0.00 175.76 174.26 1wgs s LEU 69 N 1.43 5.10 0.00 0.00 1.43 -1.26 -4.71 118.68 120.67 1wgs s LEU 69 Ca 0.02 -1.96 0.00 0.00 -1.03 0.00 0.00 54.13 51.17 1wgs s LEU 69 Cb -0.22 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1wgs s LEU 69 CO 0.03 -0.51 0.00 0.41 0.23 0.00 0.00 176.35 176.51 1wgs n THR 70 N 4.58 0.00 -2.35 5.49 -1.04 -1.26 -4.55 114.28 115.15 1wgs n THR 70 Ca -0.03 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.62 1wgs n THR 70 Cb 0.42 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.90 1wgs n THR 70 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1wgs s LYS 71 N -2.01 3.29 0.03 -2.82 3.01 -1.26 -4.28 119.74 115.70 1wgs s LYS 71 Ca 0.00 -1.52 0.00 0.00 -1.01 0.00 0.00 55.97 53.44 1wgs s LYS 71 Cb 0.00 -5.38 0.00 0.00 -1.01 0.00 0.00 37.83 31.44 1wgs s LYS 71 CO 0.00 -3.01 0.00 2.41 0.51 0.00 0.00 175.35 175.26 1wgs n THR 72 N 7.07 0.05 -4.29 2.17 -1.04 -1.26 -5.09 114.28 111.89 1wgs n THR 72 Ca 0.46 0.02 -0.35 0.00 -2.04 0.00 0.00 64.05 62.13 1wgs n THR 72 Cb 0.47 -0.37 -0.09 0.00 -1.82 0.00 0.00 70.33 68.51 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 -1.14 4.46 0.00 12.58 -7.23 -1.26 -4.80 120.40 123.02 1wgs s VAL 73 Ca 0.00 -0.18 0.00 0.00 -1.81 0.00 0.00 61.98 59.99 1wgs s VAL 73 Cb 0.00 -2.90 0.00 0.00 0.56 0.00 0.00 36.38 34.04 1wgs s VAL 73 CO 0.00 0.59 0.00 0.29 -0.31 0.00 0.00 175.10 175.67 1wgs n LYS 74 N 2.33 0.00 -1.25 4.82 5.02 -1.26 -4.82 118.16 123.00 1wgs n LYS 74 Ca -0.19 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1wgs n LYS 74 Cb 0.54 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.48 1wgs n LYS 74 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1wgs n ASP 75 N 0.00 -6.77 -4.56 4.39 8.00 -1.26 -4.25 116.55 112.10 1wgs n ASP 75 Ca 0.00 1.33 -0.25 0.00 0.71 0.00 0.00 54.79 56.58 1wgs n ASP 75 Cb 0.00 -4.21 -0.08 0.00 -0.02 0.00 0.00 41.12 36.81 1wgs n ASP 75 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1wgs n ALA 76 N -3.64 1.43 -0.37 2.24 0.00 -1.26 -4.75 120.51 114.16 1wgs n ALA 76 Ca -0.06 -2.83 -0.05 0.00 0.00 0.00 0.00 53.44 50.50 1wgs n ALA 76 Cb 0.54 -3.45 -0.01 0.00 0.00 0.00 0.00 19.45 16.53 1wgs n ALA 76 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1wgs h VAL 77 N 6.26 0.01 -3.59 0.00 -1.51 -1.97 -3.47 116.25 111.99 1wgs h VAL 77 Ca 0.17 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.64 1wgs h VAL 77 Cb 0.95 0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.12 1wgs h VAL 77 CO 1.18 0.00 -0.64 1.67 -1.23 0.00 0.00 177.57 178.55 1wgs n GLN 78 N -5.40 -3.54 -3.65 5.19 7.27 -1.26 -4.89 117.38 111.10 1wgs n GLN 78 Ca 0.07 2.72 -0.29 0.00 0.07 0.00 0.00 57.00 59.57 1wgs n GLN 78 Cb 0.35 -3.13 -0.12 0.00 2.41 0.00 0.00 30.24 29.75 1wgs n GLN 78 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1wgs s LYS 79 N -1.21 1.36 -0.49 3.69 2.20 -1.26 -5.05 119.74 118.98 1wgs s LYS 79 Ca 0.00 -2.24 -0.17 0.00 -0.36 0.00 0.00 55.97 53.21 1wgs s LYS 79 Cb 0.00 -2.24 0.07 0.00 -1.51 0.00 0.00 37.83 34.16 1wgs s LYS 79 CO 0.00 -1.25 0.49 1.21 -0.36 0.00 0.00 175.35 175.45 1wgs s ASN 80 N -0.01 6.18 0.10 1.43 3.84 -1.26 -4.81 114.94 120.41 1wgs s ASN 80 Ca 0.23 -1.22 0.00 0.00 0.21 0.00 0.00 52.86 52.08 1wgs s ASN 80 Cb -0.13 -2.23 0.00 0.00 -0.55 0.00 0.00 41.25 38.34 1wgs s ASN 80 CO -0.08 -0.76 0.00 -0.24 -2.79 0.00 0.00 177.10 173.23 1wgs n SER 81 N 5.58 0.65 -3.69 -4.21 2.88 -1.26 -5.11 113.62 108.46 1wgs n SER 81 Ca -0.10 0.16 -0.12 0.00 -1.33 0.00 0.00 58.87 57.48 1wgs n SER 81 Cb 0.44 -0.14 -0.09 0.00 -0.75 0.00 0.00 64.21 63.66 1wgs n SER 81 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1wgs s GLU 82 N -1.76 0.54 -0.30 -1.46 2.02 -1.26 -5.13 118.70 111.36 1wgs s GLU 82 Ca 0.00 0.79 -0.08 0.00 0.02 0.00 0.00 54.97 55.70 1wgs s GLU 82 Cb 0.00 0.17 0.19 0.00 0.10 0.00 0.00 34.13 34.59 1wgs s GLU 82 CO 0.00 -0.11 0.95 0.21 0.02 0.00 0.00 175.26 176.33 1wgs s LYS 83 N 0.79 0.24 0.00 1.61 2.20 -1.26 -5.17 119.74 118.15 1wgs s LYS 83 Ca -0.04 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 1wgs s LYS 83 Cb -0.05 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.41 1wgs s LYS 83 CO -0.06 -0.40 0.00 0.98 -0.36 0.00 0.00 175.35 175.50 1wgs n TYR 84 N 5.26 0.00 -1.55 4.03 9.36 -1.26 -5.15 117.16 127.84 1wgs n TYR 84 Ca 0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.27 1wgs n TYR 84 Cb 0.56 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 39.27 1wgs n TYR 84 CO 0.00 0.00 0.00 -0.11 0.22 0.00 0.00 176.86 176.97 1wgs n LEU 85 N 0.00 -3.40 -4.93 2.98 7.94 -1.26 -4.97 117.00 113.37 1wgs n LEU 85 Ca 0.00 2.89 -0.25 0.00 -1.11 0.00 0.00 56.01 57.54 1wgs n LEU 85 Cb 0.00 -2.73 -0.00 0.00 0.53 0.00 0.00 43.42 41.21 1wgs n LEU 85 CO 0.00 0.10 0.29 -0.55 -1.11 0.00 0.00 177.39 176.12 1wgs s SER 86 N -2.88 6.20 -0.04 1.96 0.15 -1.26 -5.11 113.70 112.73 1wgs s SER 86 Ca 0.00 0.60 -0.03 0.00 0.70 0.00 0.00 55.95 57.22 1wgs s SER 86 Cb 0.00 -2.03 0.02 0.00 -1.71 0.00 0.00 66.02 62.30 1wgs s SER 86 CO 0.00 -0.46 0.10 -1.61 1.20 0.00 0.00 173.24 172.46 1wgs s GLU 87 N -4.51 0.09 1.23 5.44 2.02 -1.26 -5.15 118.70 116.55 1wgs s GLU 87 Ca 0.44 0.20 -0.18 0.00 0.02 0.00 0.00 54.97 55.45 1wgs s GLU 87 Cb -0.10 -0.04 0.26 0.00 0.10 0.00 0.00 34.13 34.34 1wgs s GLU 87 CO 0.39 -0.07 0.58 1.47 0.02 0.00 0.00 175.26 177.66 1wgs n LEU 88 N 3.48 -1.34 -3.78 1.80 -0.00 -1.26 -5.05 117.00 110.84 1wgs n LEU 88 Ca -0.18 -0.46 -0.09 0.00 -0.00 0.00 0.00 56.01 55.28 1wgs n LEU 88 Cb 0.56 -0.98 -0.03 0.00 -0.00 0.00 0.00 43.42 42.97 1wgs n LEU 88 CO 0.22 -3.70 0.37 0.00 -0.00 0.00 0.00 177.39 174.28 1wgs s ALA 89 N -2.18 -1.07 -0.60 1.47 0.00 -1.26 -5.09 121.76 113.02 1wgs s ALA 89 Ca 0.57 -0.24 -0.26 0.00 0.00 0.00 0.00 51.96 52.03 1wgs s ALA 89 Cb -0.13 0.88 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 1wgs s ALA 89 CO 0.55 -0.91 2.03 -2.00 0.00 0.00 0.00 175.76 175.42 1wgs s GLU 90 N -3.89 2.45 -0.21 0.00 2.56 -1.26 -4.90 118.70 113.45 1wgs s GLU 90 Ca 0.10 0.76 -0.18 0.00 0.00 0.00 0.00 54.97 55.65 1wgs s GLU 90 Cb -0.03 -4.49 0.06 0.00 2.00 0.00 0.00 34.13 31.66 1wgs s GLU 90 CO 0.02 -2.97 0.56 -0.65 -0.56 0.00 0.00 175.26 171.66 1wgs s GLN 91 N 7.42 0.64 0.24 4.30 -0.21 -1.26 -5.15 119.66 125.63 1wgs s GLN 91 Ca 0.76 0.81 -0.30 0.00 0.02 0.00 0.00 55.36 56.65 1wgs s GLN 91 Cb -0.13 0.28 -0.09 0.00 1.00 0.00 0.00 33.01 34.07 1wgs s GLN 91 CO 0.20 -0.09 1.09 -1.25 -2.12 0.00 0.00 175.29 173.13 1wgs s PRO 92 N 0.46 4.64 0.06 2.91 0.04 -1.26 -5.05 135.00 136.80 1wgs s PRO 92 Ca -0.01 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.84 1wgs s PRO 92 Cb -0.04 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 1wgs s PRO 92 CO -0.02 0.18 -0.15 -2.00 0.04 0.00 0.00 177.00 175.05 1wgs s GLU 93 N -1.03 0.92 0.04 4.56 2.12 -1.26 -5.15 118.70 118.90 1wgs s GLU 93 Ca 0.46 -0.92 -0.09 0.00 0.36 0.00 0.00 54.97 54.77 1wgs s GLU 93 Cb -0.31 -0.97 0.00 0.00 0.26 0.00 0.00 34.13 33.12 1wgs s GLU 93 CO 0.38 0.23 0.20 -0.98 -0.54 0.00 0.00 175.26 174.55 1wgs s ARG 94 N -1.56 0.71 -0.23 4.30 1.70 -1.26 -5.15 118.95 117.46 1wgs s ARG 94 Ca 0.01 -0.66 -0.06 0.00 -0.47 0.00 0.00 55.73 54.55 1wgs s ARG 94 Cb -0.09 0.29 0.11 0.00 -0.57 0.00 0.00 34.95 34.70 1wgs s ARG 94 CO 0.02 -0.21 0.45 0.21 -1.08 0.00 0.00 175.30 174.69 1wgs s LYS 95 N -2.69 0.38 0.00 3.89 2.47 -1.26 -5.16 119.74 117.36 1wgs s LYS 95 Ca -0.04 0.95 0.00 0.00 -1.56 0.00 0.00 55.97 55.31 1wgs s LYS 95 Cb -0.00 0.19 0.00 0.00 -1.46 0.00 0.00 37.83 36.56 1wgs s LYS 95 CO -0.05 -0.38 0.00 0.44 0.16 0.00 0.00 175.35 175.52 1wgs n ILE 96 N 5.39 0.00 -3.59 5.43 -6.64 -1.26 -5.07 119.36 113.62 1wgs n ILE 96 Ca -0.07 0.00 -0.05 0.00 -1.77 0.00 0.00 62.75 60.86 1wgs n ILE 96 Cb 0.50 0.00 -0.02 0.00 -1.44 0.00 0.00 39.64 38.68 1wgs n ILE 96 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1wgs s THR 97 N -0.83 0.00 0.32 7.28 -1.32 -1.26 -5.19 115.64 114.64 1wgs s THR 97 Ca 0.00 -0.19 -0.19 0.00 -1.21 0.00 0.00 61.69 60.11 1wgs s THR 97 Cb 0.00 -1.35 0.03 0.00 -1.51 0.00 0.00 72.50 69.67 1wgs s THR 97 CO 0.00 0.00 0.74 0.00 -2.21 0.00 0.00 174.62 173.15 1wgs s ARG 98 N -2.96 1.96 -0.16 7.08 1.70 -1.26 -5.19 118.95 120.12 1wgs s ARG 98 Ca 0.08 -1.17 -0.34 0.00 -0.47 0.00 0.00 55.73 53.83 1wgs s ARG 98 Cb -0.00 0.61 0.14 0.00 -0.57 0.00 0.00 34.95 35.13 1wgs s ARG 98 CO -0.05 -0.90 1.29 1.21 -1.08 0.00 0.00 175.30 175.77 1wgs s ASN 99 N -2.98 -0.08 -0.18 -2.89 3.84 -1.26 -5.17 114.94 106.23 1wgs s ASN 99 Ca 0.13 -0.04 -0.13 0.00 0.21 0.00 0.00 52.86 53.03 1wgs s ASN 99 Cb -0.06 0.11 0.05 0.00 -0.55 0.00 0.00 41.25 40.80 1wgs s ASN 99 CO 0.09 -0.18 0.45 0.00 -2.79 0.00 0.00 177.10 174.66 1wgs s GLN 100 N -2.30 0.48 0.18 0.43 -2.07 -1.26 -5.17 119.66 109.95 1wgs s GLN 100 Ca 0.12 0.73 0.02 0.00 -1.82 0.00 0.00 55.36 54.41 1wgs s GLN 100 Cb 0.01 0.13 0.02 0.00 -1.09 0.00 0.00 33.01 32.08 1wgs s GLN 100 CO -0.04 -0.11 0.16 1.63 -1.32 0.00 0.00 175.29 175.61 1wgs n LYS 101 N 3.54 1.15 0.00 9.60 5.02 -1.26 -5.15 118.16 131.06 1wgs n LYS 101 Ca -0.18 -1.08 0.00 0.00 -2.02 0.00 0.00 58.31 55.03 1wgs n LYS 101 Cb 0.56 0.07 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 1wgs n LYS 101 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1wgs n ARG 102 N -1.03 0.00 -3.64 1.97 0.63 -1.26 -5.19 116.66 108.14 1wgs n ARG 102 Ca 0.01 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.92 1wgs n ARG 102 Cb 0.20 0.00 -0.01 0.00 0.45 0.00 0.00 32.46 33.10 1wgs n ARG 102 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1wgs s LYS 103 N -2.00 0.67 -0.22 -0.14 2.36 -1.26 -5.19 119.74 113.96 1wgs s LYS 103 Ca 0.00 -0.34 -0.33 0.00 -2.55 0.00 0.00 55.97 52.75 1wgs s LYS 103 Cb 0.00 0.25 0.15 0.00 -1.05 0.00 0.00 37.83 37.18 1wgs s LYS 103 CO 0.00 -0.30 1.24 -3.38 1.55 0.00 0.00 175.35 174.46 1wgs s HIS 104 N -2.76 -0.12 0.00 4.03 -3.43 -1.26 -5.19 115.29 106.56 1wgs s HIS 104 Ca 0.12 0.13 0.00 0.00 -0.80 0.00 0.00 55.06 54.51 1wgs s HIS 104 Cb 0.01 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.66 1wgs s HIS 104 CO -0.03 -0.15 0.00 -0.40 -2.00 0.00 0.00 174.74 172.16 1wgs n ASP 105 N 0.18 0.00 -3.70 7.38 5.75 -1.26 -5.18 116.55 119.73 1wgs n ASP 105 Ca -0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 54.79 54.65 1wgs n ASP 105 Cb 0.58 0.00 -0.09 0.00 -1.03 0.00 0.00 41.12 40.58 1wgs n ASP 105 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1wgs s GLU 106 N -2.00 0.55 0.45 0.11 2.12 -1.26 -5.16 118.70 113.51 1wgs s GLU 106 Ca 0.00 0.74 -0.16 0.00 0.36 0.00 0.00 54.97 55.91 1wgs s GLU 106 Cb 0.00 0.22 -0.08 0.00 0.26 0.00 0.00 34.13 34.52 1wgs s GLU 106 CO 0.00 -0.09 0.90 0.96 -0.54 0.00 0.00 175.26 176.49 1wgs s ILE 107 N 0.55 4.58 0.00 -3.70 -5.25 -1.26 -5.04 121.20 111.08 1wgs s ILE 107 Ca -0.02 1.10 0.00 0.00 -0.99 0.00 0.00 60.65 60.74 1wgs s ILE 107 Cb -0.04 -3.68 0.00 0.00 2.95 0.00 0.00 42.46 41.68 1wgs s ILE 107 CO -0.03 -0.51 0.00 -0.46 -1.79 0.00 0.00 174.94 172.15 1wgs n ASN 108 N -1.16 0.00 -3.41 4.36 6.94 -1.26 -5.16 115.26 115.57 1wgs n ASN 108 Ca 0.05 0.00 0.01 0.00 -0.02 0.00 0.00 54.58 54.63 1wgs n ASN 108 Cb 0.54 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.92 1wgs n ASN 108 CO 0.00 0.00 0.00 -2.28 -1.03 0.00 0.00 177.26 173.95 1wgs s HIS 109 N 0.00 -0.72 -0.04 -2.53 2.46 -1.26 -5.16 115.29 108.04 1wgs s HIS 109 Ca 0.00 1.24 -0.03 0.00 0.47 0.00 0.00 55.06 56.75 1wgs s HIS 109 Cb 0.00 0.43 0.02 0.00 -0.13 0.00 0.00 32.58 32.90 1wgs s HIS 109 CO 0.00 -0.36 0.10 0.54 -2.47 0.00 0.00 174.74 172.55 1wgs s VAL 110 N 2.48 -0.02 0.38 0.89 0.11 -1.26 -5.16 120.40 117.83 1wgs s VAL 110 Ca -0.03 0.08 0.07 0.00 -2.93 0.00 0.00 61.98 59.16 1wgs s VAL 110 Cb -0.06 -0.15 0.00 0.00 -1.53 0.00 0.00 36.38 34.63 1wgs s VAL 110 CO -0.18 0.03 0.53 0.00 -3.33 0.00 0.00 175.10 172.16 1wgs s GLN 111 N 0.47 2.98 -0.30 1.54 0.00 -1.26 -5.12 119.66 117.98 1wgs s GLN 111 Ca -0.04 -1.06 -0.17 0.00 -0.00 0.00 0.00 55.36 54.09 1wgs s GLN 111 Cb -0.05 -2.77 0.18 0.00 0.00 0.00 0.00 33.01 30.37 1wgs s GLN 111 CO -0.02 -0.12 1.12 0.21 0.00 0.00 0.00 175.29 176.48 1wgs s LYS 112 N -4.29 0.18 0.02 9.60 2.36 -1.26 -5.18 119.74 121.17 1wgs s LYS 112 Ca 0.50 0.45 -0.11 0.00 -2.55 0.00 0.00 55.97 54.25 1wgs s LYS 112 Cb -0.10 0.26 0.04 0.00 -1.05 0.00 0.00 37.83 36.98 1wgs s LYS 112 CO 0.33 -0.06 0.51 -2.37 1.55 0.00 0.00 175.35 175.31 1wgs n THR 113 N 4.69 0.00 -3.51 3.43 5.66 -1.26 -5.19 114.28 118.11 1wgs n THR 113 Ca -0.09 -0.13 -0.10 0.00 -3.05 0.00 0.00 64.05 60.68 1wgs n THR 113 Cb 0.54 0.27 -0.03 0.00 -1.55 0.00 0.00 70.33 69.56 1wgs n THR 113 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1wgs s TYR 114 N -3.21 -0.41 -0.33 1.09 -0.85 -1.26 -5.12 117.35 107.26 1wgs s TYR 114 Ca 0.12 0.40 -0.08 0.00 -0.52 0.00 0.00 57.07 56.99 1wgs s TYR 114 Cb -0.01 0.51 0.21 0.00 0.38 0.00 0.00 41.96 43.06 1wgs s TYR 114 CO 0.01 -0.56 1.13 0.00 -1.52 0.00 0.00 175.55 174.61 1wgs s ALA 115 N -2.63 -4.70 -0.42 9.51 0.00 -1.26 -5.09 121.76 117.17 1wgs s ALA 115 Ca 0.01 0.71 0.06 0.00 0.00 0.00 0.00 51.96 52.75 1wgs s ALA 115 Cb -0.01 -3.01 0.21 0.00 0.00 0.00 0.00 23.12 20.31 1wgs s ALA 115 CO -0.06 -2.55 0.45 0.39 0.00 0.00 0.00 175.76 173.99 1wgs n GLU 116 N 2.61 0.58 -2.98 0.00 1.02 -1.26 -5.12 120.64 115.49 1wgs n GLU 116 Ca 0.11 -3.29 -0.22 0.00 -0.02 0.00 0.00 57.16 53.74 1wgs n GLU 116 Cb 0.66 -1.48 0.01 0.00 -0.02 0.00 0.00 31.44 30.61 1wgs n GLU 116 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wgs s MET 117 N -0.70 2.94 0.28 3.49 0.23 -1.26 -5.08 119.30 119.19 1wgs s MET 117 Ca 0.34 -0.67 -0.26 0.00 -1.03 0.00 0.00 55.69 54.06 1wgs s MET 117 Cb 0.11 -2.59 -0.09 0.00 -1.53 0.00 0.00 34.83 30.72 1wgs s MET 117 CO -0.15 -0.32 0.91 0.34 -2.03 0.00 0.00 175.02 173.77 1wgs s ASP 118 N -4.27 7.40 0.00 -1.18 -1.08 -1.26 -5.02 116.67 111.26 1wgs s ASP 118 Ca 0.50 1.81 0.00 0.00 -0.52 0.00 0.00 52.55 54.34 1wgs s ASP 118 Cb -0.10 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.79 1wgs s ASP 118 CO 0.37 0.03 0.18 -0.81 0.52 0.00 0.00 175.17 175.46 1wgs n PRO 119 N 0.91 0.00 -2.48 4.34 -0.04 -1.26 -5.04 135.00 131.43 1wgs n PRO 119 Ca -0.00 0.22 -0.05 0.00 -0.04 0.00 0.00 63.50 63.63 1wgs n PRO 119 Cb 0.49 -0.85 -0.02 0.00 -0.04 0.00 0.00 33.50 33.09 1wgs n PRO 119 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1wgs n THR 120 N -1.17 0.00 -3.62 0.52 -2.24 -1.26 -5.18 114.28 101.33 1wgs n THR 120 Ca 0.00 -0.49 -0.05 0.00 -2.27 0.00 0.00 64.05 61.24 1wgs n THR 120 Cb 0.00 0.20 -0.05 0.00 -2.10 0.00 0.00 70.33 68.38 1wgs n THR 120 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1wgs s THR 121 N -2.01 0.00 0.03 4.28 -1.32 -1.26 -5.19 115.64 110.17 1wgs s THR 121 Ca 0.06 0.00 -0.28 0.00 -1.21 0.00 0.00 61.69 60.25 1wgs s THR 121 Cb 0.00 -1.00 0.10 0.00 -1.51 0.00 0.00 72.50 70.10 1wgs s THR 121 CO 0.04 0.00 1.21 0.00 -2.21 0.00 0.00 174.62 173.66 1wgs s ALA 122 N -0.96 -2.13 0.13 11.08 0.00 -1.26 -5.19 121.76 123.44 1wgs s ALA 122 Ca 0.05 0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.38 1wgs s ALA 122 Cb -0.01 0.55 0.01 0.00 0.00 0.00 0.00 23.12 23.67 1wgs s ALA 122 CO -0.05 -1.07 0.06 0.00 0.00 0.00 0.00 175.76 174.70 1wgs n ALA 123 N -0.59 0.17 -2.00 0.00 0.00 -1.26 -5.14 120.51 111.68 1wgs n ALA 123 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1wgs n ALA 123 Cb 0.61 0.25 0.00 0.00 0.00 0.00 0.00 19.45 20.32 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 0.00 0.00 -0.00 -1.26 -5.15 117.00 110.59 1wgs n LEU 124 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.99 1wgs n LEU 124 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.57 1wgs n LEU 124 CO 0.09 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.69 1wgs n GLU 125 N 0.00 0.00 -3.82 1.47 4.07 -1.26 -5.11 120.64 116.00 1wgs n GLU 125 Ca 0.00 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.81 1wgs n GLU 125 Cb 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.25 1wgs n GLU 125 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1wgs s LYS 126 N 0.00 1.89 -0.30 5.31 -0.14 -1.26 -5.03 119.74 120.21 1wgs s LYS 126 Ca 0.00 -2.70 -0.17 0.00 -1.36 0.00 0.00 55.97 51.75 1wgs s LYS 126 Cb 0.00 -2.93 0.18 0.00 -1.68 0.00 0.00 37.83 33.40 1wgs s LYS 126 CO 0.00 -1.22 1.14 -1.83 -0.76 0.00 0.00 175.35 172.68 1wgs s GLU 127 N -0.54 0.18 -0.21 1.68 -1.05 -1.26 -5.18 118.70 112.32 1wgs s GLU 127 Ca 0.22 0.37 -0.32 0.00 -0.15 0.00 0.00 54.97 55.08 1wgs s GLU 127 Cb -0.14 0.13 0.15 0.00 -0.44 0.00 0.00 34.13 33.83 1wgs s GLU 127 CO -0.08 -0.05 1.21 0.45 0.95 0.00 0.00 175.26 177.74 1wgs s SER 128 N 1.68 -0.16 0.00 0.83 0.15 -1.26 -5.14 113.70 109.81 1wgs s SER 128 Ca -0.05 0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.69 1wgs s SER 128 Cb -0.03 0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.42 1wgs s SER 128 CO -0.14 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 174.70 1wgs n GLY 129 N 0.24 -0.69 3.76 9.45 0.00 -1.26 -5.18 105.19 111.51 1wgs n GLY 129 Ca -0.02 0.69 -0.30 0.00 0.00 0.00 0.00 46.02 46.39 1wgs n GLY 129 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wgs s PRO 130 N 0.00 -0.62 -0.28 1.61 0.04 -1.26 -5.10 135.00 129.39 1wgs s PRO 130 Ca 0.00 -0.37 -0.27 0.00 0.04 0.00 0.00 61.00 60.40 1wgs s PRO 130 Cb 0.00 -1.70 0.18 0.00 0.04 0.00 0.00 34.50 33.03 1wgs s PRO 130 CO 0.00 -3.26 1.36 -1.54 0.04 0.00 0.00 177.00 173.60 1wgs s SER 131 N -4.50 -0.10 0.02 6.66 1.04 -1.26 -5.19 113.70 110.38 1wgs s SER 131 Ca 0.75 0.16 -0.28 0.00 0.48 0.00 0.00 55.95 57.06 1wgs s SER 131 Cb -0.05 0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.32 1wgs s SER 131 CO 0.55 -0.05 0.82 -0.55 0.98 0.00 0.00 173.24 174.99 1wgs s SER 132 N -0.35 -0.42 0.00 7.02 0.15 -1.26 -5.37 113.70 113.47 1wgs s SER 132 Ca 0.07 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.78 1wgs s SER 132 Cb -0.03 0.43 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1wgs s SER 132 CO -0.12 -0.68 0.00 0.61 1.20 0.00 0.00 173.24 174.26