#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 -0.56 -0.17 1.61 1.04 -1.26 -5.08 113.70 109.29 1wgs s SER 2 Ca 0.00 1.03 -0.14 0.00 0.48 0.00 0.00 55.95 57.32 1wgs s SER 2 Cb 0.00 1.08 -0.05 0.00 0.10 0.00 0.00 66.02 67.15 1wgs s SER 2 CO 0.00 -0.17 -0.26 -0.24 0.98 0.00 0.00 173.24 173.55 1wgs n SER 3 N 2.64 1.88 0.00 7.02 2.88 -1.26 -5.12 113.62 121.66 1wgs n SER 3 Ca -0.14 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.87 1wgs n SER 3 Cb 0.56 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wgs n GLY 4 N 1.52 -0.56 3.79 0.46 0.00 -1.26 -5.15 105.19 104.00 1wgs n GLY 4 Ca -0.13 -1.21 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 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 0.00 5.85 -0.20 1.61 0.01 -1.26 -4.57 113.70 115.14 1wgs s SER 5 Ca 0.00 1.93 -0.11 0.00 1.31 0.00 0.00 55.95 59.08 1wgs s SER 5 Cb 0.00 -2.55 0.04 0.00 0.21 0.00 0.00 66.02 63.72 1wgs s SER 5 CO 0.00 -1.12 0.22 -1.20 0.41 0.00 0.00 173.24 171.55 1wgs n SER 6 N -1.66 -1.28 0.00 2.44 7.64 -1.26 -5.04 113.62 114.47 1wgs n SER 6 Ca 0.10 1.36 0.00 0.00 1.01 0.00 0.00 58.87 61.33 1wgs n SER 6 Cb 0.52 -5.28 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 1wgs n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgs n GLY 7 N 1.57 -1.17 3.88 0.23 0.00 -1.26 -5.17 105.19 103.26 1wgs n GLY 7 Ca -0.37 0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1wgs n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 8 N 0.00 3.28 0.75 1.61 2.02 -1.26 -4.99 118.70 120.11 1wgs s GLU 8 Ca 0.00 -0.50 -0.11 0.00 0.02 0.00 0.00 54.97 54.38 1wgs s GLU 8 Cb 0.00 -2.95 0.04 0.00 0.10 0.00 0.00 34.13 31.32 1wgs s GLU 8 CO 0.00 0.60 1.08 -1.25 0.02 0.00 0.00 175.26 175.71 1wgs s PRO 9 N -2.42 2.44 0.07 0.39 0.04 -1.26 -4.98 135.00 129.28 1wgs s PRO 9 Ca 0.33 0.77 -0.31 0.00 0.04 0.00 0.00 61.00 61.83 1wgs s PRO 9 Cb -0.13 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1wgs s PRO 9 CO 0.25 -1.40 1.40 -1.21 0.04 0.00 0.00 177.00 176.08 1wgs s GLU 10 N -5.11 4.31 1.12 4.56 0.41 -1.26 -4.98 118.70 117.74 1wgs s GLU 10 Ca 0.60 2.03 -0.14 0.00 -0.41 0.00 0.00 54.97 57.05 1wgs s GLU 10 Cb -0.14 -3.39 0.21 0.00 -1.78 0.00 0.00 34.13 29.03 1wgs s GLU 10 CO 0.55 -0.49 0.74 1.55 -0.49 0.00 0.00 175.26 177.11 1wgs n VAL 11 N 4.25 0.00 -0.90 2.63 3.14 -1.26 -4.96 118.33 121.23 1wgs n VAL 11 Ca 0.12 -0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.16 1wgs n VAL 11 Cb 0.43 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.34 1wgs n VAL 11 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 1wgs n THR 12 N -4.68 0.10 -2.24 1.55 5.66 -1.26 -5.10 114.28 108.31 1wgs n THR 12 Ca 0.04 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 1wgs n THR 12 Cb 0.56 0.95 0.00 0.00 -1.55 0.00 0.00 70.33 70.29 1wgs n THR 12 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1wgs n VAL 13 N -0.05-11.91 -4.04 1.08 0.31 -1.26 -4.97 118.33 97.49 1wgs n VAL 13 Ca 0.00 2.88 -0.35 0.00 -0.01 0.00 0.00 64.34 66.86 1wgs n VAL 13 Cb 0.47 -5.38 -0.07 0.00 -0.91 0.00 0.00 33.84 27.96 1wgs n VAL 13 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1wgs s GLU 14 N -0.51 3.26 0.43 5.55 2.02 -1.26 -5.05 118.70 123.14 1wgs s GLU 14 Ca 0.00 -0.30 -0.20 0.00 0.02 0.00 0.00 54.97 54.50 1wgs s GLU 14 Cb 0.00 -3.02 -0.10 0.00 0.10 0.00 0.00 34.13 31.11 1wgs s GLU 14 CO 0.00 0.72 0.93 0.42 0.02 0.00 0.00 175.26 177.35 1wgs s ILE 15 N -1.08 4.44 0.00 -1.63 -1.09 -1.26 -3.61 121.20 116.96 1wgs s ILE 15 Ca 0.18 1.40 0.00 0.00 -2.23 0.00 0.00 60.65 60.00 1wgs s ILE 15 Cb -0.12 -3.61 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 1wgs s ILE 15 CO 0.08 -0.34 0.00 0.61 -1.23 0.00 0.00 174.94 174.06 1wgs n GLY 16 N -0.70 2.92 3.89 6.18 0.00 0.05 -4.99 105.19 112.54 1wgs n GLY 16 Ca 0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.80 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N -0.12 2.95 -0.09 1.61 8.01 -1.24 -4.69 118.70 125.14 1wgs s GLU 17 Ca 0.00 0.32 -0.01 0.00 0.01 0.00 0.00 54.97 55.29 1wgs s GLU 17 Cb 0.00 -2.12 -0.03 0.00 -4.31 0.00 0.00 34.13 27.67 1wgs s GLU 17 CO 0.00 -0.87 -0.04 0.99 0.01 0.00 0.00 175.26 175.35 1wgs s THR 18 N -3.21 3.92 0.18 3.63 2.01 -1.26 -0.17 115.64 120.74 1wgs s THR 18 Ca 0.56 -0.39 0.04 0.00 0.31 0.00 0.00 61.69 62.22 1wgs s THR 18 Cb -0.11 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.72 1wgs s THR 18 CO 0.50 0.59 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.63 1wgs s TYR 19 N -0.65 1.42 -0.20 4.92 1.51 0.98 -4.90 117.35 120.42 1wgs s TYR 19 Ca 0.10 -0.80 -0.22 0.00 -1.01 0.00 0.00 57.07 55.14 1wgs s TYR 19 Cb -0.12 -0.75 -0.02 0.00 -0.11 0.00 0.00 41.96 40.96 1wgs s TYR 19 CO 0.02 0.06 0.67 -0.51 -1.11 0.00 0.00 175.55 174.69 1wgs s LEU 20 N -3.23 4.13 0.17 -1.29 2.01 -1.26 -0.01 118.68 119.20 1wgs s LEU 20 Ca 0.21 0.88 0.06 0.00 0.01 0.00 0.00 54.13 55.30 1wgs s LEU 20 Cb 0.03 -2.96 -0.04 0.00 0.01 0.00 0.00 46.19 43.24 1wgs s LEU 20 CO 0.04 -0.32 0.08 0.00 1.01 0.00 0.00 176.35 177.15 1wgs s ARG 22 N -3.07 4.48 -0.12 0.00 3.52 -0.32 -0.76 118.95 122.67 1wgs s ARG 22 Ca 0.30 1.45 -0.04 0.00 -0.13 0.00 0.00 55.73 57.30 1wgs s ARG 22 Cb -0.10 -3.49 0.06 0.00 -1.56 0.00 0.00 34.95 29.86 1wgs s ARG 22 CO 0.21 -0.20 0.18 1.03 -0.81 0.00 0.00 175.30 175.71 1wgs s ARG 23 N 1.50 0.08 -0.66 5.12 0.52 -1.23 -4.91 118.95 119.37 1wgs s ARG 23 Ca 0.51 0.45 -0.27 0.00 -0.52 0.00 0.00 55.73 55.90 1wgs s ARG 23 Cb -0.21 -0.58 0.01 0.00 0.52 0.00 0.00 34.95 34.69 1wgs s ARG 23 CO 0.24 -0.41 1.56 -1.25 0.02 0.00 0.00 175.30 175.45 1wgs s PRO 24 N 2.30 2.95 0.00 3.54 0.04 -1.26 -3.88 135.00 138.69 1wgs s PRO 24 Ca 0.04 0.22 0.00 0.00 0.04 0.00 0.00 61.00 61.30 1wgs s PRO 24 Cb -0.13 -4.27 0.00 0.00 0.04 0.00 0.00 34.50 30.14 1wgs s PRO 24 CO -0.08 -2.39 0.00 -3.47 0.04 0.00 0.00 177.00 171.11 1wgs n ASP 25 N 10.91 0.00 0.00 6.66 -0.08 -1.26 -5.01 116.55 127.77 1wgs n ASP 25 Ca 0.12 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.40 1wgs n ASP 25 Cb 0.50 0.06 0.00 0.00 2.34 0.00 0.00 41.12 44.02 1wgs n ASP 25 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1wgs n SER 26 N -1.28 0.00 0.00 1.67 2.88 -1.26 -5.16 113.62 110.47 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 0.00 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.67 1wgs n SER 26 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 1wgs n THR 27 N -2.00 0.00 -3.03 2.46 5.66 -1.25 -5.14 114.28 110.98 1wgs n THR 27 Ca 0.00 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.67 1wgs n THR 27 Cb 0.00 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 68.72 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wgs s TRP 28 N -0.64 3.42 0.14 1.09 0.52 -1.26 -3.47 118.94 118.74 1wgs s TRP 28 Ca 0.00 1.38 0.08 0.00 0.02 0.00 0.00 56.10 57.58 1wgs s TRP 28 Cb 0.00 -2.65 -0.04 0.00 -1.15 0.00 0.00 33.47 29.63 1wgs s TRP 28 CO 0.00 0.09 -0.18 -1.01 0.02 0.00 0.00 176.95 175.87 1wgs s HIS 29 N -1.93 1.73 0.84 -1.98 3.76 0.06 -4.91 115.29 112.86 1wgs s HIS 29 Ca 0.54 -0.46 -0.11 0.00 -0.15 0.00 0.00 55.06 54.87 1wgs s HIS 29 Cb -0.12 -0.90 0.09 0.00 1.11 0.00 0.00 32.58 32.77 1wgs s HIS 29 CO 0.17 0.26 1.09 -1.54 -0.85 0.00 0.00 174.74 173.87 1wgs s SER 30 N -2.36 4.00 -0.30 1.40 1.04 -1.26 0.14 113.70 116.35 1wgs s SER 30 Ca 0.11 1.56 -0.16 0.00 0.48 0.00 0.00 55.95 57.95 1wgs s SER 30 Cb -0.07 -2.26 0.16 0.00 0.10 0.00 0.00 66.02 63.95 1wgs s SER 30 CO 0.05 -2.32 1.02 0.00 0.98 0.00 0.00 173.24 172.97 1wgs s ALA 31 N -2.96 -2.65 0.11 5.32 0.00 0.98 -4.25 121.76 118.32 1wgs s ALA 31 Ca 0.62 2.07 -0.30 0.00 0.00 0.00 0.00 51.96 54.35 1wgs s ALA 31 Cb -0.17 -1.99 -0.06 0.00 0.00 0.00 0.00 23.12 20.90 1wgs s ALA 31 CO 0.56 -0.79 0.97 -1.83 0.00 0.00 0.00 175.76 174.67 1wgs s GLU 32 N 2.11 4.69 -0.63 0.00 -1.05 0.23 -0.01 118.70 124.03 1wgs s GLU 32 Ca -0.04 1.47 -0.27 0.00 -0.15 0.00 0.00 54.97 55.97 1wgs s GLU 32 Cb -0.05 -3.37 0.02 0.00 -0.44 0.00 0.00 34.13 30.29 1wgs s GLU 32 CO -0.16 0.20 1.39 0.08 0.95 0.00 0.00 175.26 177.71 1wgs s VAL 33 N 0.02 3.74 -0.01 1.83 1.01 0.76 0.74 120.40 128.48 1wgs s VAL 33 Ca 0.47 0.56 -0.23 0.00 0.00 0.00 0.00 61.98 62.78 1wgs s VAL 33 Cb -0.24 -4.59 -0.14 0.00 0.00 0.00 0.00 36.38 31.41 1wgs s VAL 33 CO 0.30 -1.41 1.02 0.40 0.00 0.00 0.00 175.10 175.41 1wgs h ILE 34 N 6.28 0.40 -3.03 2.22 1.08 0.95 0.17 117.51 125.59 1wgs h ILE 34 Ca -0.27 -0.60 -0.07 0.00 -0.39 0.00 0.00 64.86 63.53 1wgs h ILE 34 Cb 1.08 0.61 -0.00 0.00 -3.07 0.00 0.00 36.82 35.43 1wgs h ILE 34 CO 1.22 0.08 0.17 0.00 -0.69 0.00 0.00 178.15 178.93 1wgs n GLN 35 N -5.17 0.91 -4.23 2.37 1.13 -1.19 -4.63 117.38 106.58 1wgs n GLN 35 Ca -0.09 -2.03 -0.16 0.00 -1.94 0.00 0.00 57.00 52.78 1wgs n GLN 35 Cb 0.28 2.40 -0.11 0.00 0.11 0.00 0.00 30.24 32.92 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 -2.81 1.83 0.24 1.08 1.04 -1.26 -0.78 113.70 113.03 1wgs s SER 36 Ca 0.16 -0.86 -0.21 0.00 0.48 0.00 0.00 55.95 55.52 1wgs s SER 36 Cb -0.04 -0.04 0.03 0.00 0.10 0.00 0.00 66.02 66.08 1wgs s SER 36 CO 0.12 -0.21 0.65 0.00 0.98 0.00 0.00 173.24 174.78 1wgs s ARG 37 N -2.96 1.60 0.03 4.02 1.70 -0.71 -4.96 118.95 117.66 1wgs s ARG 37 Ca 0.10 -0.85 0.04 0.00 -0.47 0.00 0.00 55.73 54.55 1wgs s ARG 37 Cb -0.03 0.59 -0.02 0.00 -0.57 0.00 0.00 34.95 34.92 1wgs s ARG 37 CO 0.02 -0.72 -0.13 0.08 -1.08 0.00 0.00 175.30 173.47 1wgs s VAL 38 N -3.87 1.05 -0.22 4.99 1.01 -1.26 -1.32 120.40 120.78 1wgs s VAL 38 Ca 0.09 -0.86 -0.07 0.00 0.00 0.00 0.00 61.98 61.13 1wgs s VAL 38 Cb -0.04 -0.94 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1wgs s VAL 38 CO 0.01 0.07 0.06 0.20 0.00 0.00 0.00 175.10 175.44 1wgs s ASN 39 N -0.91 5.26 -0.08 3.32 -0.87 0.02 -4.98 114.94 116.70 1wgs s ASN 39 Ca 0.02 -0.11 -0.24 0.00 -1.57 0.00 0.00 52.86 50.96 1wgs s ASN 39 Cb -0.07 -1.93 -0.29 0.00 -0.02 0.00 0.00 41.25 38.94 1wgs s ASN 39 CO 0.01 0.04 0.83 0.44 -2.57 0.00 0.00 177.10 175.85 1wgs h ASP 40 N 7.67 0.32 -0.14 -1.22 5.19 -1.95 0.69 116.42 126.99 1wgs h ASP 40 Ca -0.37 -0.96 0.05 0.00 -0.62 0.00 0.00 57.03 55.13 1wgs h ASP 40 Cb 1.18 -0.11 -0.06 0.00 0.18 0.00 0.00 39.33 40.52 1wgs h ASP 40 CO 0.61 1.29 -0.26 1.56 -3.12 0.00 0.00 179.24 179.33 1wgs h GLN 41 N -0.56 -0.31 0.18 3.56 1.08 -1.98 -2.95 115.11 114.13 1wgs h GLN 41 Ca -0.11 0.02 -0.25 0.00 -1.45 0.00 0.00 58.65 56.86 1wgs h GLN 41 Cb 1.46 0.07 0.03 0.00 -0.05 0.00 0.00 27.48 28.99 1wgs h GLN 41 CO 0.10 -0.20 -1.13 0.93 -0.95 0.00 0.00 178.83 177.58 1wgs h GLU 42 N -0.32 0.39 -1.23 1.46 4.39 -2.00 -3.48 114.58 113.78 1wgs h GLU 42 Ca 0.10 -0.66 0.00 0.00 0.34 0.00 0.00 59.36 59.14 1wgs h GLU 42 Cb 0.47 0.25 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1wgs h GLU 42 CO -0.32 1.32 0.00 0.41 -1.16 0.00 0.00 179.01 179.26 1wgs n GLY 43 N 1.70 0.64 3.29 -3.84 0.00 0.24 -5.07 105.19 102.14 1wgs n GLY 43 Ca -0.16 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 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 -3.13 1.52 0.03 1.61 1.81 -0.89 -4.96 118.95 114.95 1wgs s ARG 44 Ca 0.00 -1.86 0.03 0.00 -1.72 0.00 0.00 55.73 52.18 1wgs s ARG 44 Cb 0.00 0.09 -0.04 0.00 -0.45 0.00 0.00 34.95 34.56 1wgs s ARG 44 CO 0.00 -0.48 -0.01 -1.21 -0.68 0.00 0.00 175.30 172.92 1wgs s GLU 45 N -3.83 2.65 0.07 3.54 2.02 -1.26 -0.80 118.70 121.08 1wgs s GLU 45 Ca 0.38 -0.72 -0.02 0.00 0.02 0.00 0.00 54.97 54.63 1wgs s GLU 45 Cb 0.05 -2.59 -0.04 0.00 0.10 0.00 0.00 34.13 31.65 1wgs s GLU 45 CO 0.18 0.59 0.01 -1.21 0.02 0.00 0.00 175.26 174.85 1wgs s GLU 46 N -1.82 0.69 -0.08 1.61 2.02 -0.43 -4.37 118.70 116.32 1wgs s GLU 46 Ca 0.21 -1.24 -0.03 0.00 0.02 0.00 0.00 54.97 53.93 1wgs s GLU 46 Cb -0.11 0.23 0.04 0.00 0.10 0.00 0.00 34.13 34.39 1wgs s GLU 46 CO 0.13 -0.15 0.15 -0.06 0.02 0.00 0.00 175.26 175.35 1wgs s PHE 47 N -3.94 -0.17 -0.83 1.61 0.08 0.39 -1.74 117.98 113.39 1wgs s PHE 47 Ca 0.10 0.57 -0.25 0.00 0.12 0.00 0.00 56.93 57.46 1wgs s PHE 47 Cb 0.08 -0.21 -0.01 0.00 -0.57 0.00 0.00 43.02 42.31 1wgs s PHE 47 CO -0.08 -0.24 1.72 -0.47 -0.10 0.00 0.00 175.22 176.05 1wgs s TYR 48 N 1.93 2.00 -0.09 0.36 5.04 0.04 -0.02 117.35 126.60 1wgs s TYR 48 Ca -0.01 0.24 -0.12 0.00 -2.44 0.00 0.00 57.07 54.74 1wgs s TYR 48 Cb -0.12 -4.29 -0.05 0.00 0.35 0.00 0.00 41.96 37.85 1wgs s TYR 48 CO -0.06 -1.98 0.29 0.14 -1.34 0.00 0.00 175.55 172.60 1wgs s VAL 49 N 8.05 5.27 -0.24 3.14 -7.23 -0.99 0.14 120.40 128.54 1wgs s VAL 49 Ca 0.59 0.55 -0.08 0.00 -1.81 0.00 0.00 61.98 61.23 1wgs s VAL 49 Cb -0.07 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 1wgs s VAL 49 CO 0.05 0.53 0.08 -2.28 -0.31 0.00 0.00 175.10 173.17 1wgs s HIS 50 N -0.57 3.12 -0.96 2.82 2.46 0.23 -2.67 115.29 119.72 1wgs s HIS 50 Ca 0.19 -0.28 -0.24 0.00 0.47 0.00 0.00 55.06 55.20 1wgs s HIS 50 Cb -0.14 -2.21 0.01 0.00 -0.13 0.00 0.00 32.58 30.11 1wgs s HIS 50 CO 0.07 -0.24 1.65 0.71 -2.47 0.00 0.00 174.74 174.46 1wgs s TYR 51 N 1.37 2.22 -0.58 3.88 2.02 -1.26 -0.61 117.35 124.39 1wgs s TYR 51 Ca 0.05 -0.21 -0.26 0.00 -0.37 0.00 0.00 57.07 56.28 1wgs s TYR 51 Cb -0.15 -4.43 -0.04 0.00 -0.40 0.00 0.00 41.96 36.94 1wgs s TYR 51 CO 0.04 -1.88 2.09 0.14 -1.57 0.00 0.00 175.55 174.37 1wgs s VAL 52 N 7.07 3.21 0.00 0.71 -7.23 -1.26 -2.33 120.40 120.58 1wgs s VAL 52 Ca 0.55 0.10 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 1wgs s VAL 52 Cb -0.03 -3.56 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1wgs s VAL 52 CO -0.05 -0.55 0.00 0.61 -0.31 0.00 0.00 175.10 174.81 1wgs n GLY 53 N 5.89 3.54 0.00 2.32 0.00 -1.26 -4.92 105.19 110.76 1wgs n GLY 53 Ca 0.28 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1wgs n GLY 53 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1wgs n PHE 54 N 0.00 0.00 -3.13 1.61 3.72 -0.98 -5.07 117.46 113.61 1wgs n PHE 54 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1wgs n PHE 54 Cb 0.00 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1wgs n PHE 54 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1wgs n ASN 55 N -0.51 0.00 -0.09 4.37 4.05 -1.24 -5.05 115.26 116.78 1wgs n ASN 55 Ca 0.00 -0.50 -0.17 0.00 0.45 0.00 0.00 54.58 54.36 1wgs n ASN 55 Cb 0.00 0.00 -0.10 0.00 1.23 0.00 0.00 39.78 40.91 1wgs n ASN 55 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 1wgs h ARG 56 N 0.00 0.00 -0.83 1.20 2.47 -1.97 -3.38 114.38 111.87 1wgs h ARG 56 Ca 0.00 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.88 1wgs h ARG 56 Cb 0.00 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.16 1wgs h ARG 56 CO 0.00 0.79 -0.23 0.07 0.56 0.00 0.00 179.97 181.16 1wgs h ARG 57 N -1.00 -0.01 -0.92 0.04 0.11 -1.99 0.42 114.38 111.03 1wgs h ARG 57 Ca -0.24 0.00 0.18 0.00 0.10 0.00 0.00 59.98 60.01 1wgs h ARG 57 Cb 1.09 0.00 -0.17 0.00 1.11 0.00 0.00 29.97 32.01 1wgs h ARG 57 CO -0.15 -0.01 -0.26 -0.07 0.10 0.00 0.00 179.97 179.59 1wgs h LEU 58 N -0.01 -0.96 -8.62 0.08 -0.00 -1.97 -3.39 115.31 100.45 1wgs h LEU 58 Ca 0.39 0.28 -0.83 0.00 -0.00 0.00 0.00 57.88 57.71 1wgs h LEU 58 Cb 0.61 0.60 -0.01 0.00 -0.00 0.00 0.00 40.66 41.86 1wgs h LEU 58 CO -0.86 -0.30 0.95 0.47 -0.00 0.00 0.00 178.44 178.70 1wgs n ASP 59 N -5.56 1.08 -3.90 -0.43 8.00 0.15 -4.88 116.55 111.00 1wgs n ASP 59 Ca 0.13 0.98 -0.09 0.00 0.71 0.00 0.00 54.79 56.52 1wgs n ASP 59 Cb 0.45 -0.90 -0.06 0.00 -0.02 0.00 0.00 41.12 40.59 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 4.20 1.15 -0.20 -1.24 -1.05 -1.09 -4.98 118.70 115.49 1wgs s GLU 60 Ca 1.11 -1.08 -0.29 0.00 -0.15 0.00 0.00 54.97 54.55 1wgs s GLU 60 Cb -1.48 0.40 -0.02 0.00 -0.44 0.00 0.00 34.13 32.59 1wgs s GLU 60 CO 0.75 -0.43 1.38 -1.58 0.95 0.00 0.00 175.26 176.34 1wgs s TRP 61 N -3.93 2.57 0.23 4.83 0.52 -1.26 -2.33 118.94 119.56 1wgs s TRP 61 Ca 0.14 0.79 0.09 0.00 0.02 0.00 0.00 56.10 57.14 1wgs s TRP 61 Cb 0.03 -3.74 -0.04 0.00 -1.15 0.00 0.00 33.47 28.56 1wgs s TRP 61 CO -0.02 -2.19 -0.02 0.14 0.02 0.00 0.00 176.95 174.88 1wgs s VAL 62 N 4.09 3.44 0.55 4.03 -7.23 0.97 -4.77 120.40 121.48 1wgs s VAL 62 Ca 0.60 -1.76 0.00 0.00 -1.81 0.00 0.00 61.98 59.01 1wgs s VAL 62 Cb -0.22 -2.79 0.03 0.00 0.56 0.00 0.00 36.38 33.96 1wgs s VAL 62 CO 0.21 -0.27 0.78 -0.62 -0.31 0.00 0.00 175.10 174.90 1wgs s ASP 63 N -3.35 5.33 0.54 4.85 2.15 -1.26 0.15 116.67 125.08 1wgs s ASP 63 Ca 0.29 0.09 0.20 0.00 0.43 0.00 0.00 52.55 53.56 1wgs s ASP 63 Cb -0.07 -1.01 1.40 0.00 -0.30 0.00 0.00 42.92 42.94 1wgs s ASP 63 CO 0.19 -1.11 2.15 0.11 -0.17 0.00 0.00 175.17 176.33 1wgs h LYS 64 N 0.06 0.00 -0.13 4.34 1.57 -1.92 -1.05 116.57 119.45 1wgs h LYS 64 Ca -0.43 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.30 1wgs h LYS 64 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.60 1wgs h LYS 64 CO 0.54 0.00 -0.12 -0.97 -0.57 0.00 0.00 179.45 178.33 1wgs h ASN 65 N 0.00 0.32 0.03 0.86 -1.24 -1.94 -2.63 115.58 110.98 1wgs h ASN 65 Ca 0.03 -0.47 0.00 0.00 0.71 0.00 0.00 56.30 56.57 1wgs h ASN 65 Cb 0.14 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 39.10 1wgs h ASN 65 CO -0.00 0.73 0.00 0.03 -1.29 0.00 0.00 177.43 176.90 1wgs h ARG 66 N -0.08 0.00 -6.48 6.67 3.08 -1.58 -3.42 114.38 112.57 1wgs h ARG 66 Ca 0.02 0.00 -0.47 0.00 0.07 0.00 0.00 59.98 59.60 1wgs h ARG 66 Cb 0.63 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.70 1wgs h ARG 66 CO 0.03 0.00 -0.19 -0.51 -1.07 0.00 0.00 179.97 178.23 1wgs s LEU 67 N -5.73 3.28 -0.24 3.04 1.43 -0.85 -1.18 118.68 118.44 1wgs s LEU 67 Ca -0.04 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.32 1wgs s LEU 67 Cb 0.11 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.38 1wgs s LEU 67 CO 0.36 -1.07 -0.08 0.00 0.23 0.00 0.00 176.35 175.79 1wgs s ALA 68 N -2.55 2.65 -0.33 4.21 0.00 -0.22 -4.92 121.76 120.59 1wgs s ALA 68 Ca 0.56 -1.46 -0.03 0.00 0.00 0.00 0.00 51.96 51.03 1wgs s ALA 68 Cb -0.07 -1.63 0.06 0.00 0.00 0.00 0.00 23.12 21.49 1wgs s ALA 68 CO 0.35 -0.80 0.06 -0.51 0.00 0.00 0.00 175.76 174.86 1wgs s LEU 69 N 1.30 4.29 0.30 0.00 1.43 -1.26 -4.59 118.68 120.14 1wgs s LEU 69 Ca -0.00 -1.45 -0.25 0.00 -1.03 0.00 0.00 54.13 51.40 1wgs s LEU 69 Cb -0.17 -1.76 -0.16 0.00 0.03 0.00 0.00 46.19 44.13 1wgs s LEU 69 CO -0.05 -0.34 0.33 0.41 0.23 0.00 0.00 176.35 176.93 1wgs n THR 70 N 4.63 1.38 0.00 5.49 -1.04 -1.26 -1.13 114.28 122.35 1wgs n THR 70 Ca -0.10 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.41 1wgs n THR 70 Cb 0.43 -0.03 0.00 0.00 -1.82 0.00 0.00 70.33 68.91 1wgs n THR 70 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 1wgs n LYS 71 N 1.14 0.00 -0.06 -2.82 3.00 -1.17 -4.47 118.16 113.78 1wgs n LYS 71 Ca 0.15 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.44 1wgs n LYS 71 Cb 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.34 1wgs n LYS 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1wgs n THR 72 N 0.00 -0.09 0.00 3.15 -1.04 -0.39 -4.41 114.28 111.50 1wgs n THR 72 Ca 0.00 1.62 0.00 0.00 -2.04 0.00 0.00 64.05 63.63 1wgs n THR 72 Cb 0.00 -2.12 0.00 0.00 -1.82 0.00 0.00 70.33 66.39 1wgs n THR 72 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1wgs n VAL 73 N -3.30 0.00 -1.51 12.58 0.24 -0.28 -4.98 118.33 121.07 1wgs n VAL 73 Ca 0.00 0.00 -0.40 0.00 -2.04 0.00 0.00 64.34 61.91 1wgs n VAL 73 Cb 0.04 -1.02 -0.12 0.00 -1.47 0.00 0.00 33.84 31.27 1wgs n VAL 73 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1wgs n LYS 74 N -2.72 0.27 -3.25 7.34 4.76 -1.06 -4.85 118.16 118.64 1wgs n LYS 74 Ca 0.00 -0.00 -0.38 0.00 -2.87 0.00 0.00 58.31 55.05 1wgs n LYS 74 Cb 0.44 -2.00 -0.06 0.00 -1.84 0.00 0.00 35.03 31.57 1wgs n LYS 74 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1wgs s ASP 75 N 9.79 6.74 0.24 4.39 1.11 -1.26 -3.04 116.67 134.64 1wgs s ASP 75 Ca 1.26 0.88 0.00 0.00 0.18 0.00 0.00 52.55 54.87 1wgs s ASP 75 Cb -0.98 -2.31 0.00 0.00 1.07 0.00 0.00 42.92 40.70 1wgs s ASP 75 CO 0.43 -0.05 0.00 0.00 1.18 0.00 0.00 175.17 176.74 1wgs n ALA 76 N 3.82 -2.29 -1.01 5.23 0.00 -1.26 -4.70 120.51 120.29 1wgs n ALA 76 Ca -0.05 0.35 -0.20 0.00 0.00 0.00 0.00 53.44 53.54 1wgs n ALA 76 Cb 0.51 -1.21 0.03 0.00 0.00 0.00 0.00 19.45 18.78 1wgs n ALA 76 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1wgs n VAL 77 N 0.66 2.93 -2.63 0.00 0.24 -1.26 -4.88 118.33 113.39 1wgs n VAL 77 Ca 0.00 -1.94 -0.42 0.00 -2.04 0.00 0.00 64.34 59.94 1wgs n VAL 77 Cb 0.00 -1.35 -0.03 0.00 -1.47 0.00 0.00 33.84 30.99 1wgs n VAL 77 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 1wgs s GLN 78 N -2.00 3.26 -0.09 7.34 1.11 -1.26 -4.41 119.66 123.62 1wgs s GLN 78 Ca 0.38 -0.22 -0.03 0.00 0.01 0.00 0.00 55.36 55.50 1wgs s GLN 78 Cb 0.29 -4.14 0.01 0.00 -1.01 0.00 0.00 33.01 28.16 1wgs s GLN 78 CO -0.03 -1.94 0.06 1.17 0.01 0.00 0.00 175.29 174.56 1wgs n LYS 79 N 8.75 -1.60 -3.47 2.91 4.81 -1.26 -5.07 118.16 123.24 1wgs n LYS 79 Ca 0.03 1.53 -0.19 0.00 -0.87 0.00 0.00 58.31 58.82 1wgs n LYS 79 Cb 0.48 -2.60 -0.12 0.00 0.02 0.00 0.00 35.03 32.81 1wgs n LYS 79 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1wgs s ASN 80 N -0.40 1.63 0.42 3.14 2.47 -1.26 -5.11 114.94 115.83 1wgs s ASN 80 Ca -0.07 -0.46 0.00 0.00 0.42 0.00 0.00 52.86 52.75 1wgs s ASN 80 Cb 0.00 0.37 0.00 0.00 -1.45 0.00 0.00 41.25 40.17 1wgs s ASN 80 CO 0.30 -0.35 0.00 -1.20 -3.72 0.00 0.00 177.10 172.13 1wgs n SER 81 N 5.31 -7.21 -3.74 -4.21 7.64 -1.26 -4.95 113.62 105.20 1wgs n SER 81 Ca -0.05 0.89 -0.13 0.00 1.01 0.00 0.00 58.87 60.60 1wgs n SER 81 Cb 0.48 -4.21 -0.13 0.00 -1.01 0.00 0.00 64.21 59.34 1wgs n SER 81 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 1wgs s GLU 82 N -3.34 0.19 0.25 1.43 2.12 -1.26 -5.16 118.70 112.93 1wgs s GLU 82 Ca 0.00 0.47 -0.17 0.00 0.36 0.00 0.00 54.97 55.62 1wgs s GLU 82 Cb 0.00 -0.10 0.01 0.00 0.26 0.00 0.00 34.13 34.30 1wgs s GLU 82 CO 0.00 -0.15 0.59 0.21 -0.54 0.00 0.00 175.26 175.38 1wgs s LYS 83 N 1.10 1.62 0.17 4.30 2.20 -1.26 -5.19 119.74 122.68 1wgs s LYS 83 Ca -0.08 -1.05 -0.24 0.00 -0.36 0.00 0.00 55.97 54.23 1wgs s LYS 83 Cb -0.09 0.54 0.06 0.00 -1.51 0.00 0.00 37.83 36.82 1wgs s LYS 83 CO -0.07 -0.71 0.85 -0.47 -0.36 0.00 0.00 175.35 174.60 1wgs s TYR 84 N -3.94 -0.20 -0.75 4.03 5.04 -1.26 -5.02 117.35 115.25 1wgs s TYR 84 Ca 0.15 -0.12 -0.08 0.00 -2.44 0.00 0.00 57.07 54.57 1wgs s TYR 84 Cb -0.03 0.64 0.01 0.00 0.35 0.00 0.00 41.96 42.94 1wgs s TYR 84 CO 0.06 -0.92 0.62 -0.11 -1.34 0.00 0.00 175.55 173.85 1wgs n LEU 85 N -0.44 -2.03 -2.99 6.97 7.94 -1.26 -4.95 117.00 120.25 1wgs n LEU 85 Ca -0.07 -0.80 0.01 0.00 -1.11 0.00 0.00 56.01 54.05 1wgs n LEU 85 Cb 0.61 -1.63 -0.00 0.00 0.53 0.00 0.00 43.42 42.93 1wgs n LEU 85 CO 0.14 0.30 0.28 -0.94 -1.11 0.00 0.00 177.39 176.06 1wgs s SER 86 N -2.67 -0.92 -0.22 1.96 1.04 -1.26 -5.16 113.70 106.48 1wgs s SER 86 Ca 0.08 -0.46 -0.28 0.00 0.48 0.00 0.00 55.95 55.78 1wgs s SER 86 Cb -0.01 1.18 0.13 0.00 0.10 0.00 0.00 66.02 67.42 1wgs s SER 86 CO 0.89 -0.10 1.05 -0.70 0.98 0.00 0.00 173.24 175.36 1wgs s GLU 87 N 1.93 0.50 0.00 4.02 2.12 -1.26 -5.18 118.70 120.83 1wgs s GLU 87 Ca 0.15 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.79 1wgs s GLU 87 Cb -0.00 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.63 1wgs s GLU 87 CO -0.11 -0.12 0.00 -0.11 -0.54 0.00 0.00 175.26 174.38 1wgs n LEU 88 N 1.33 0.00 -3.80 2.70 -0.00 -1.26 -5.19 117.00 110.78 1wgs n LEU 88 Ca -0.11 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 55.92 1wgs n LEU 88 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.00 1wgs n LEU 88 CO 0.10 0.00 1.03 0.00 -0.00 0.00 0.00 177.39 178.51 1wgs s ALA 89 N -1.93 -2.21 -0.89 1.96 0.00 -1.26 -5.08 121.76 112.34 1wgs s ALA 89 Ca 0.00 0.28 -0.24 0.00 0.00 0.00 0.00 51.96 52.00 1wgs s ALA 89 Cb 0.00 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.75 1wgs s ALA 89 CO 0.00 -1.09 1.67 -2.00 0.00 0.00 0.00 175.76 174.34 1wgs s GLU 90 N -2.28 3.02 0.36 0.00 2.12 -1.26 -4.97 118.70 115.70 1wgs s GLU 90 Ca 0.21 -0.49 -0.14 0.00 0.36 0.00 0.00 54.97 54.91 1wgs s GLU 90 Cb 0.02 -4.99 -0.08 0.00 0.26 0.00 0.00 34.13 29.33 1wgs s GLU 90 CO -0.01 -2.72 0.77 1.14 -0.54 0.00 0.00 175.26 173.90 1wgs s GLN 91 N 6.11 3.94 0.26 4.30 0.00 -1.26 -5.04 119.66 127.97 1wgs s GLN 91 Ca 0.57 0.64 -0.30 0.00 -0.00 0.00 0.00 55.36 56.27 1wgs s GLN 91 Cb -0.05 -2.39 -0.09 0.00 0.00 0.00 0.00 33.01 30.48 1wgs s GLN 91 CO 0.00 0.06 1.09 -1.25 0.00 0.00 0.00 175.29 175.19 1wgs s PRO 92 N -3.32 4.65 -0.03 9.60 0.04 -1.26 -5.05 135.00 139.64 1wgs s PRO 92 Ca 0.54 1.77 -0.01 0.00 0.04 0.00 0.00 61.00 63.34 1wgs s PRO 92 Cb -0.10 -3.21 0.03 0.00 0.04 0.00 0.00 34.50 31.26 1wgs s PRO 92 CO 0.22 0.22 0.04 -1.83 0.04 0.00 0.00 177.00 175.69 1wgs s GLU 93 N -1.26 -0.01 -0.27 4.56 -1.05 -1.26 -5.13 118.70 114.27 1wgs s GLU 93 Ca 0.45 0.26 -0.26 0.00 -0.15 0.00 0.00 54.97 55.26 1wgs s GLU 93 Cb -0.31 -0.39 0.15 0.00 -0.44 0.00 0.00 34.13 33.14 1wgs s GLU 93 CO 0.39 -0.24 1.19 -0.98 0.95 0.00 0.00 175.26 176.58 1wgs s ARG 94 N 1.54 0.33 0.00 -4.83 1.70 -1.26 -5.15 118.95 111.29 1wgs s ARG 94 Ca -0.03 0.31 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 1wgs s ARG 94 Cb -0.13 0.16 0.00 0.00 -0.57 0.00 0.00 34.95 34.42 1wgs s ARG 94 CO -0.03 -0.06 0.00 1.17 -1.08 0.00 0.00 175.30 175.30 1wgs n LYS 95 N 1.63 0.00 -3.93 3.89 0.00 -1.26 -5.18 118.16 113.31 1wgs n LYS 95 Ca -0.10 0.00 -0.21 0.00 0.00 0.00 0.00 58.31 57.99 1wgs n LYS 95 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.56 1wgs n LYS 95 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1wgs s ILE 96 N 0.00 3.83 0.02 3.15 1.09 -1.26 -5.14 121.20 122.90 1wgs s ILE 96 Ca 0.00 -1.40 -0.06 0.00 -1.10 0.00 0.00 60.65 58.08 1wgs s ILE 96 Cb 0.00 -3.25 -0.00 0.00 -1.06 0.00 0.00 42.46 38.15 1wgs s ILE 96 CO 0.00 -0.24 0.12 -0.89 -0.10 0.00 0.00 174.94 173.83 1wgs s THR 97 N -2.25 0.11 0.15 2.92 2.01 -1.26 -5.17 115.64 112.14 1wgs s THR 97 Ca 0.38 -0.88 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 1wgs s THR 97 Cb -0.06 -0.65 0.03 0.00 0.01 0.00 0.00 72.50 71.83 1wgs s THR 97 CO 0.26 -0.48 0.44 -0.60 -0.69 0.00 0.00 174.62 173.54 1wgs s ARG 98 N -1.97 1.16 0.16 4.92 3.52 -1.26 -5.18 118.95 120.29 1wgs s ARG 98 Ca -0.10 -0.74 -0.11 0.00 -0.13 0.00 0.00 55.73 54.64 1wgs s ARG 98 Cb -0.05 0.49 0.00 0.00 -1.56 0.00 0.00 34.95 33.84 1wgs s ARG 98 CO -0.01 -0.47 0.34 -0.80 -0.81 0.00 0.00 175.30 173.55 1wgs s ASN 99 N -2.82 -0.04 0.09 -2.12 0.01 -1.26 -5.18 114.94 103.62 1wgs s ASN 99 Ca 0.05 -0.70 -0.04 0.00 -0.71 0.00 0.00 52.86 51.45 1wgs s ASN 99 Cb 0.01 0.46 -0.02 0.00 0.41 0.00 0.00 41.25 42.11 1wgs s ASN 99 CO -0.10 -0.91 0.09 -1.58 -1.51 0.00 0.00 177.10 173.10 1wgs s GLN 100 N -3.92 0.80 0.34 -0.60 0.74 -1.26 -5.18 119.66 110.59 1wgs s GLN 100 Ca 0.12 -1.18 0.04 0.00 0.05 0.00 0.00 55.36 54.40 1wgs s GLN 100 Cb 0.02 0.28 -0.06 0.00 1.10 0.00 0.00 33.01 34.34 1wgs s GLN 100 CO -0.03 -0.22 0.06 -1.59 -0.55 0.00 0.00 175.29 172.95 1wgs s LYS 101 N -3.93 1.69 0.07 1.67 0.00 -1.26 -5.17 119.74 112.81 1wgs s LYS 101 Ca 0.11 -1.94 -0.27 0.00 0.00 0.00 0.00 55.97 53.87 1wgs s LYS 101 Cb 0.06 -0.94 0.09 0.00 0.00 0.00 0.00 37.83 37.04 1wgs s LYS 101 CO -0.07 -0.18 0.87 0.50 0.00 0.00 0.00 175.35 176.47 1wgs s ARG 102 N -3.87 1.01 0.26 1.78 3.00 -1.26 -5.19 118.95 114.68 1wgs s ARG 102 Ca 0.36 -0.44 0.00 0.00 -1.00 0.00 0.00 55.73 54.65 1wgs s ARG 102 Cb 0.09 0.42 -0.03 0.00 0.00 0.00 0.00 34.95 35.43 1wgs s ARG 102 CO 0.16 -0.45 0.24 -1.59 0.00 0.00 0.00 175.30 173.65 1wgs s LYS 103 N -3.27 1.46 0.11 5.12 0.00 -1.26 -5.18 119.74 116.73 1wgs s LYS 103 Ca 0.07 -1.73 -0.26 0.00 0.00 0.00 0.00 55.97 54.05 1wgs s LYS 103 Cb -0.01 0.32 0.08 0.00 0.00 0.00 0.00 37.83 38.22 1wgs s LYS 103 CO -0.06 -0.53 1.05 -1.58 0.00 0.00 0.00 175.35 174.23 1wgs s HIS 104 N -3.83 -0.10 0.11 1.78 2.46 -1.26 -5.19 115.29 109.26 1wgs s HIS 104 Ca 0.37 -0.15 -0.26 0.00 0.47 0.00 0.00 55.06 55.49 1wgs s HIS 104 Cb 0.04 0.62 0.07 0.00 -0.13 0.00 0.00 32.58 33.18 1wgs s HIS 104 CO 0.17 -0.69 0.90 -0.51 -2.47 0.00 0.00 174.74 172.15 1wgs s ASP 105 N -2.96 -0.26 -0.14 9.88 1.01 -1.26 -5.18 116.67 117.76 1wgs s ASP 105 Ca 0.13 -0.27 -0.13 0.00 0.71 0.00 0.00 52.55 52.99 1wgs s ASP 105 Cb 0.00 0.48 0.04 0.00 1.01 0.00 0.00 42.92 44.45 1wgs s ASP 105 CO 0.01 -0.85 0.38 -0.70 0.21 0.00 0.00 175.17 174.22 1wgs s GLU 106 N -3.30 0.44 0.70 8.23 2.12 -1.26 -5.16 118.70 120.46 1wgs s GLU 106 Ca 0.09 0.53 -0.11 0.00 0.36 0.00 0.00 54.97 55.84 1wgs s GLU 106 Cb -0.02 0.21 0.01 0.00 0.26 0.00 0.00 34.13 34.60 1wgs s GLU 106 CO -0.02 -0.06 1.08 0.96 -0.54 0.00 0.00 175.26 176.69 1wgs s ILE 107 N 0.23 3.49 -0.25 -3.70 -0.00 -1.26 -5.08 121.20 114.63 1wgs s ILE 107 Ca -0.00 0.45 -0.28 0.00 -0.00 0.00 0.00 60.65 60.82 1wgs s ILE 107 Cb -0.03 -3.47 0.16 0.00 -0.00 0.00 0.00 42.46 39.12 1wgs s ILE 107 CO 0.00 -0.62 1.22 0.20 -0.00 0.00 0.00 174.94 175.75 1wgs s ASN 108 N -4.36 -0.20 0.15 4.36 -0.87 -1.26 -5.19 114.94 107.58 1wgs s ASN 108 Ca 0.58 0.29 -0.01 0.00 -1.57 0.00 0.00 52.86 52.15 1wgs s ASN 108 Cb -0.11 0.26 -0.04 0.00 -0.02 0.00 0.00 41.25 41.34 1wgs s ASN 108 CO 0.51 -0.14 0.07 -1.38 -2.57 0.00 0.00 177.10 173.59 1wgs s HIS 109 N -0.60 0.97 0.16 2.20 -3.43 -1.26 -5.16 115.29 108.16 1wgs s HIS 109 Ca 0.05 -1.24 0.03 0.00 -0.80 0.00 0.00 55.06 53.09 1wgs s HIS 109 Cb -0.02 -0.53 -0.04 0.00 -1.43 0.00 0.00 32.58 30.56 1wgs s HIS 109 CO -0.07 -0.51 0.25 0.54 -2.00 0.00 0.00 174.74 172.95 1wgs s VAL 110 N -4.03 5.11 0.31 -5.38 0.11 -1.26 -5.12 120.40 110.15 1wgs s VAL 110 Ca 0.27 -0.80 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 1wgs s VAL 110 Cb 0.07 -3.64 -0.02 0.00 -1.53 0.00 0.00 36.38 31.27 1wgs s VAL 110 CO 0.04 -0.11 0.46 0.00 -3.33 0.00 0.00 175.10 172.17 1wgs s GLN 111 N -3.24 3.32 -0.02 1.54 1.03 -1.26 -5.12 119.66 115.92 1wgs s GLN 111 Ca 0.34 -0.72 0.01 0.00 0.04 0.00 0.00 55.36 55.03 1wgs s GLN 111 Cb -0.11 -2.79 0.01 0.00 0.03 0.00 0.00 33.01 30.15 1wgs s GLN 111 CO 0.27 0.20 -0.04 0.21 -2.54 0.00 0.00 175.29 173.40 1wgs s LYS 112 N -4.16 0.49 0.11 9.60 2.36 -1.26 -5.15 119.74 121.72 1wgs s LYS 112 Ca 0.40 -0.10 0.05 0.00 -2.55 0.00 0.00 55.97 53.77 1wgs s LYS 112 Cb -0.09 -0.52 -0.04 0.00 -1.05 0.00 0.00 37.83 36.13 1wgs s LYS 112 CO 0.32 0.00 -0.13 0.95 1.55 0.00 0.00 175.35 178.04 1wgs s THR 113 N 0.42 1.21 -0.16 3.43 -4.23 -1.26 -5.15 115.64 109.90 1wgs s THR 113 Ca -0.05 -1.65 -0.30 0.00 -1.18 0.00 0.00 61.69 58.51 1wgs s THR 113 Cb -0.08 -1.44 0.14 0.00 1.34 0.00 0.00 72.50 72.46 1wgs s THR 113 CO -0.00 -0.43 1.07 -0.47 -0.54 0.00 0.00 174.62 174.24 1wgs s TYR 114 N -2.12 -0.28 0.05 3.99 6.14 -1.26 -5.18 117.35 118.70 1wgs s TYR 114 Ca 0.07 0.40 -0.11 0.00 0.64 0.00 0.00 57.07 58.06 1wgs s TYR 114 Cb -0.05 0.48 0.01 0.00 0.42 0.00 0.00 41.96 42.82 1wgs s TYR 114 CO 0.02 -0.31 0.24 0.00 0.64 0.00 0.00 175.55 176.15 1wgs s ALA 115 N -1.60 -0.47 -0.59 3.97 0.00 -1.26 -5.11 121.76 116.70 1wgs s ALA 115 Ca 0.03 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 1wgs s ALA 115 Cb -0.01 0.35 0.10 0.00 0.00 0.00 0.00 23.12 23.56 1wgs s ALA 115 CO -0.02 -0.42 0.72 -1.21 0.00 0.00 0.00 175.76 174.82 1wgs s GLU 116 N -2.88 3.05 0.39 0.00 2.02 -1.26 -5.04 118.70 114.98 1wgs s GLU 116 Ca -0.03 -1.25 -0.00 0.00 0.02 0.00 0.00 54.97 53.70 1wgs s GLU 116 Cb 0.00 -4.25 -0.03 0.00 0.10 0.00 0.00 34.13 29.95 1wgs s GLU 116 CO -0.05 -1.54 0.61 0.00 0.02 0.00 0.00 175.26 174.29 1wgs s MET 117 N 2.78 3.43 0.16 1.61 0.23 -1.26 -5.08 119.30 121.16 1wgs s MET 117 Ca 0.12 -0.27 -0.19 0.00 -1.03 0.00 0.00 55.69 54.32 1wgs s MET 117 Cb -0.23 -2.60 -0.08 0.00 -1.53 0.00 0.00 34.83 30.39 1wgs s MET 117 CO 0.07 0.02 0.66 0.16 -2.03 0.00 0.00 175.02 173.90 1wgs s ASP 118 N -4.08 7.07 -0.06 -1.18 -4.77 -1.26 -5.01 116.67 107.38 1wgs s ASP 118 Ca 0.43 1.35 -0.09 0.00 -3.30 0.00 0.00 52.55 50.93 1wgs s ASP 118 Cb -0.10 -2.39 -0.05 0.00 -1.09 0.00 0.00 42.92 39.29 1wgs s ASP 118 CO 0.38 0.14 0.39 1.55 0.70 0.00 0.00 175.17 178.32 1wgs h PRO 119 N 3.88 -0.31 -1.86 2.11 0.13 -2.05 -3.49 132.00 130.41 1wgs h PRO 119 Ca -0.48 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 64.77 1wgs h PRO 119 Cb 1.20 0.07 -0.19 0.00 0.13 0.00 0.00 31.00 32.21 1wgs h PRO 119 CO 0.65 -0.21 0.54 -0.08 -0.23 0.00 0.00 178.00 178.67 1wgs s THR 120 N -2.59 0.00 0.01 1.56 -1.32 -1.26 -5.18 115.64 106.86 1wgs s THR 120 Ca -0.05 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1wgs s THR 120 Cb 0.00 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 69.98 1wgs s THR 120 CO 0.14 0.00 -0.05 -0.89 -2.21 0.00 0.00 174.62 171.61 1wgs s THR 121 N -2.05 0.37 -0.02 5.08 2.01 -1.26 -5.15 115.64 114.61 1wgs s THR 121 Ca 0.02 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1wgs s THR 121 Cb -0.01 -0.37 0.12 0.00 0.01 0.00 0.00 72.50 72.25 1wgs s THR 121 CO -0.03 -0.10 1.31 0.00 -0.69 0.00 0.00 174.62 175.11 1wgs s ALA 122 N -0.59 -2.29 0.00 7.40 0.00 -1.26 -5.19 121.76 119.83 1wgs s ALA 122 Ca -0.03 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.59 1wgs s ALA 122 Cb -0.05 0.40 0.00 0.00 0.00 0.00 0.00 23.12 23.47 1wgs s ALA 122 CO -0.00 -1.07 0.00 0.00 0.00 0.00 0.00 175.76 174.69 1wgs n ALA 123 N -0.53 0.00 -3.64 0.00 0.00 -1.26 -5.18 120.51 109.90 1wgs n ALA 123 Ca -0.08 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.33 1wgs n ALA 123 Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.01 1wgs n ALA 123 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1wgs s LEU 124 N 0.00 -0.44 0.23 0.00 2.34 -1.26 -5.18 118.68 114.37 1wgs s LEU 124 Ca 0.00 0.73 0.05 0.00 0.06 0.00 0.00 54.13 54.97 1wgs s LEU 124 Cb 0.00 1.68 -0.05 0.00 -0.56 0.00 0.00 46.19 47.26 1wgs s LEU 124 CO 0.00 -0.12 -0.05 -0.70 -1.06 0.00 0.00 176.35 174.42 1wgs s GLU 125 N 1.03 1.35 0.23 1.48 2.12 -1.26 -5.16 118.70 118.49 1wgs s GLU 125 Ca -0.06 -1.66 -0.11 0.00 0.36 0.00 0.00 54.97 53.50 1wgs s GLU 125 Cb -0.04 -0.82 -0.01 0.00 0.26 0.00 0.00 34.13 33.52 1wgs s GLU 125 CO -0.13 0.00 0.42 0.15 -0.54 0.00 0.00 175.26 175.17 1wgs s LYS 126 N -3.78 1.46 -0.12 4.30 -0.14 -1.26 -5.18 119.74 115.02 1wgs s LYS 126 Ca 0.26 -1.27 -0.30 0.00 -1.36 0.00 0.00 55.97 53.30 1wgs s LYS 126 Cb 0.04 0.44 0.10 0.00 -1.68 0.00 0.00 37.83 36.73 1wgs s LYS 126 CO 0.08 -0.59 0.83 -1.21 -0.76 0.00 0.00 175.35 173.70 1wgs s GLU 127 N -4.02 0.82 0.29 1.68 0.41 -1.26 -5.18 118.70 111.44 1wgs s GLU 127 Ca 0.23 0.26 0.02 0.00 -0.41 0.00 0.00 54.97 55.08 1wgs s GLU 127 Cb 0.01 0.39 -0.05 0.00 -1.78 0.00 0.00 34.13 32.70 1wgs s GLU 127 CO 0.08 -0.24 0.10 -1.12 -0.49 0.00 0.00 175.26 173.59 1wgs s SER 128 N -1.01 1.62 0.02 -0.19 0.01 -1.26 -5.17 113.70 107.72 1wgs s SER 128 Ca -0.06 -1.44 -0.27 0.00 1.31 0.00 0.00 55.95 55.49 1wgs s SER 128 Cb -0.01 0.18 0.07 0.00 0.21 0.00 0.00 66.02 66.47 1wgs s SER 128 CO 0.05 -0.75 0.63 -0.83 0.41 0.00 0.00 173.24 172.75 1wgs s GLY 129 N -3.38 -0.56 0.21 3.44 0.00 -1.26 -5.18 107.32 100.59 1wgs s GLY 129 Ca 0.36 0.98 -0.04 0.00 0.00 0.00 0.00 44.72 46.03 1wgs s GLY 129 CO 0.15 0.64 0.24 -1.55 0.00 0.00 0.00 173.10 172.58 1wgs n PRO 130 N 0.51 -0.83 -3.55 2.90 -0.04 -1.26 -5.11 135.00 127.62 1wgs n PRO 130 Ca -0.18 -0.37 -0.10 0.00 -0.04 0.00 0.00 63.50 62.81 1wgs n PRO 130 Cb 0.60 -0.29 -0.02 0.00 -0.04 0.00 0.00 33.50 33.74 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgs s SER 131 N -2.01 -0.43 0.26 3.54 1.04 -1.26 -5.19 113.70 109.65 1wgs s SER 131 Ca 0.14 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.45 1wgs s SER 131 Cb -0.01 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.62 1wgs s SER 131 CO 0.10 -0.95 0.06 -0.44 0.98 0.00 0.00 173.24 172.99 1wgs s SER 132 N -2.74 1.59 0.00 7.02 0.01 -1.26 -5.39 113.70 112.93 1wgs s SER 132 Ca 0.05 -1.34 0.16 0.00 1.31 0.00 0.00 55.95 56.13 1wgs s SER 132 Cb -0.02 0.07 0.94 0.00 0.21 0.00 0.00 66.02 67.23 1wgs s SER 132 CO -0.07 -0.65 1.36 0.61 0.41 0.00 0.00 173.24 174.89