#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 4.05 -0.51 1.61 0.01 -1.26 -5.04 113.70 112.57 1wgs s SER 2 Ca 0.00 -0.29 -0.27 0.00 1.31 0.00 0.00 55.95 56.70 1wgs s SER 2 Cb 0.00 -0.79 -0.08 0.00 0.21 0.00 0.00 66.02 65.36 1wgs s SER 2 CO 0.00 0.29 2.42 -1.20 0.41 0.00 0.00 173.24 175.16 1wgs n SER 3 N 1.80 2.22 -2.68 2.44 7.64 -1.26 -4.66 113.62 119.12 1wgs n SER 3 Ca -0.16 -0.39 -0.05 0.00 1.01 0.00 0.00 58.87 59.28 1wgs n SER 3 Cb 0.52 -1.53 0.08 0.00 -1.01 0.00 0.00 64.21 62.28 1wgs n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgs n GLY 4 N 6.04 -1.24 3.21 0.23 0.00 -1.26 -5.13 105.19 107.03 1wgs n GLY 4 Ca 0.39 0.76 -0.34 0.00 0.00 0.00 0.00 46.02 46.83 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 -0.54 3.80 -0.25 1.61 0.01 -1.26 -5.07 113.70 111.99 1wgs s SER 5 Ca 0.25 -0.60 -0.07 0.00 1.31 0.00 0.00 55.95 56.84 1wgs s SER 5 Cb 0.24 -1.61 0.12 0.00 0.21 0.00 0.00 66.02 64.98 1wgs s SER 5 CO -0.13 -0.03 0.52 -0.44 0.41 0.00 0.00 173.24 173.57 1wgs s SER 6 N 1.37 -0.68 0.00 2.44 0.01 -1.26 -5.16 113.70 110.42 1wgs s SER 6 Ca 0.04 1.15 0.00 0.00 1.31 0.00 0.00 55.95 58.45 1wgs s SER 6 Cb -0.14 1.79 0.00 0.00 0.21 0.00 0.00 66.02 67.88 1wgs s SER 6 CO -0.08 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1wgs n GLY 7 N 5.42 1.07 3.76 3.44 0.00 -1.26 -5.01 105.19 112.61 1wgs n GLY 7 Ca -0.09 -1.48 -0.40 0.00 0.00 0.00 0.00 46.02 44.05 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 0.79 4.62 0.27 1.61 0.41 -1.26 -5.00 118.70 120.13 1wgs s GLU 8 Ca 0.00 1.83 -0.30 0.00 -0.41 0.00 0.00 54.97 56.10 1wgs s GLU 8 Cb 0.00 -3.18 -0.09 0.00 -1.78 0.00 0.00 34.13 29.08 1wgs s GLU 8 CO 0.00 0.18 1.08 -1.25 -0.49 0.00 0.00 175.26 174.79 1wgs s PRO 9 N -1.47 4.66 -0.27 0.39 0.04 -1.26 -5.02 135.00 132.07 1wgs s PRO 9 Ca 0.45 1.77 -0.11 0.00 0.04 0.00 0.00 61.00 63.15 1wgs s PRO 9 Cb -0.32 -3.20 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 1wgs s PRO 9 CO 0.42 0.24 0.18 -1.21 0.04 0.00 0.00 177.00 176.67 1wgs s GLU 10 N -1.37 3.96 0.50 4.56 2.02 -1.26 -5.08 118.70 122.02 1wgs s GLU 10 Ca 0.44 -0.32 0.08 0.00 0.02 0.00 0.00 54.97 55.19 1wgs s GLU 10 Cb -0.31 -3.61 0.04 0.00 0.10 0.00 0.00 34.13 30.35 1wgs s GLU 10 CO 0.40 -0.12 0.59 0.54 0.02 0.00 0.00 175.26 176.68 1wgs s VAL 11 N 1.58 2.37 0.05 2.63 0.11 -1.26 -5.14 120.40 120.74 1wgs s VAL 11 Ca 0.07 -1.16 -0.26 0.00 -2.93 0.00 0.00 61.98 57.70 1wgs s VAL 11 Cb -0.15 -2.52 0.07 0.00 -1.53 0.00 0.00 36.38 32.24 1wgs s VAL 11 CO 0.09 0.00 0.62 -0.89 -3.33 0.00 0.00 175.10 171.59 1wgs s THR 12 N -2.57 0.01 0.09 5.04 2.01 -1.26 -5.17 115.64 113.78 1wgs s THR 12 Ca 0.52 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.56 1wgs s THR 12 Cb -0.06 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1wgs s THR 12 CO 0.32 -0.02 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.34 1wgs s VAL 13 N -2.45 1.64 -0.05 3.82 1.01 -1.26 -5.03 120.40 118.08 1wgs s VAL 13 Ca -0.05 -1.47 0.05 0.00 0.00 0.00 0.00 61.98 60.51 1wgs s VAL 13 Cb -0.01 -1.49 -0.00 0.00 0.00 0.00 0.00 36.38 34.88 1wgs s VAL 13 CO -0.01 -0.04 -0.20 -1.61 0.00 0.00 0.00 175.10 173.24 1wgs s GLU 14 N -1.79 2.07 0.36 2.72 2.02 -1.26 -5.13 118.70 117.70 1wgs s GLU 14 Ca 0.06 -0.70 -0.21 0.00 0.02 0.00 0.00 54.97 54.14 1wgs s GLU 14 Cb -0.10 -1.76 -0.10 0.00 0.10 0.00 0.00 34.13 32.27 1wgs s GLU 14 CO 0.04 0.27 0.88 0.42 0.02 0.00 0.00 175.26 176.89 1wgs s ILE 15 N 0.02 4.43 0.00 -1.63 -1.09 -1.26 -3.61 121.20 118.06 1wgs s ILE 15 Ca -0.05 1.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1wgs s ILE 15 Cb -0.13 -3.71 0.00 0.00 -1.58 0.00 0.00 42.46 37.04 1wgs s ILE 15 CO 0.03 -0.15 0.00 0.61 -1.23 0.00 0.00 174.94 174.20 1wgs n GLY 16 N -0.20 1.76 3.91 6.18 0.00 -0.98 -5.04 105.19 110.81 1wgs n GLY 16 Ca 0.04 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.80 1wgs n GLY 16 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wgs s GLU 17 N -0.79 3.30 -0.13 1.61 2.56 -1.24 -4.88 118.70 119.14 1wgs s GLU 17 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 54.97 54.21 1wgs s GLU 17 Cb 0.00 -2.88 -0.04 0.00 2.00 0.00 0.00 34.13 33.21 1wgs s GLU 17 CO 0.00 0.51 0.17 0.99 -0.56 0.00 0.00 175.26 176.37 1wgs s THR 18 N -1.75 5.44 0.13 -1.70 2.01 -1.26 -1.65 115.64 116.86 1wgs s THR 18 Ca 0.34 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.65 1wgs s THR 18 Cb -0.11 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 1wgs s THR 18 CO 0.27 0.57 -0.09 -0.31 -0.69 0.00 0.00 174.62 174.37 1wgs s TYR 19 N -0.70 1.14 -0.32 4.92 1.51 -0.67 -4.94 117.35 118.29 1wgs s TYR 19 Ca 0.15 -0.80 -0.28 0.00 -1.01 0.00 0.00 57.07 55.13 1wgs s TYR 19 Cb -0.12 -0.60 0.01 0.00 -0.11 0.00 0.00 41.96 41.14 1wgs s TYR 19 CO 0.04 0.01 1.01 -0.51 -1.11 0.00 0.00 175.55 174.98 1wgs s LEU 20 N -3.10 3.98 -0.13 -1.29 2.01 -1.26 -0.10 118.68 118.78 1wgs s LEU 20 Ca 0.15 0.96 -0.07 0.00 0.01 0.00 0.00 54.13 55.17 1wgs s LEU 20 Cb 0.03 -3.43 -0.04 0.00 0.01 0.00 0.00 46.19 42.76 1wgs s LEU 20 CO -0.01 -0.82 0.13 0.00 1.01 0.00 0.00 176.35 176.66 1wgs s ARG 22 N -0.72 4.53 -0.11 0.00 3.52 -0.26 0.83 118.95 126.73 1wgs s ARG 22 Ca 0.13 1.93 -0.05 0.00 -0.13 0.00 0.00 55.73 57.61 1wgs s ARG 22 Cb -0.12 -3.13 0.05 0.00 -1.56 0.00 0.00 34.95 30.20 1wgs s ARG 22 CO 0.03 0.07 0.25 1.03 -0.81 0.00 0.00 175.30 175.87 1wgs s ARG 23 N -1.59 0.18 -1.21 5.12 0.52 -1.24 -4.84 118.95 115.89 1wgs s ARG 23 Ca 0.46 0.61 -0.09 0.00 -0.52 0.00 0.00 55.73 56.20 1wgs s ARG 23 Cb -0.34 -0.09 -0.07 0.00 0.52 0.00 0.00 34.95 34.97 1wgs s ARG 23 CO 0.44 -0.21 2.42 -0.35 0.02 0.00 0.00 175.30 177.62 1wgs n PRO 24 N 4.68 2.70 0.00 3.54 -0.04 -1.26 -3.65 135.00 140.97 1wgs n PRO 24 Ca -0.18 -1.84 0.00 0.00 -0.04 0.00 0.00 63.50 61.45 1wgs n PRO 24 Cb 0.52 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 1wgs n PRO 24 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1wgs n ASP 25 N 4.33 1.60 0.00 3.54 9.92 -1.26 -5.03 116.55 129.64 1wgs n ASP 25 Ca 0.58 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 1wgs n ASP 25 Cb 0.20 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.68 1wgs n ASP 25 CO 0.00 0.00 0.00 -0.24 0.13 0.00 0.00 177.20 177.09 1wgs n SER 26 N -2.60 0.00 -0.67 -2.24 2.88 -1.24 -5.16 113.62 104.59 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 0.40 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.82 0.00 -1.90 2.46 -2.24 -1.26 -5.10 114.28 105.43 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 68.25 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 -5.99 3.29 -0.07 4.78 0.52 -1.26 -3.58 118.94 116.63 1wgs s TRP 28 Ca 0.00 1.41 -0.01 0.00 0.02 0.00 0.00 56.10 57.52 1wgs s TRP 28 Cb 0.00 -2.85 0.03 0.00 -1.15 0.00 0.00 33.47 29.50 1wgs s TRP 28 CO 0.00 -0.90 -0.01 -1.01 0.02 0.00 0.00 176.95 175.04 1wgs s HIS 29 N -2.89 0.72 0.33 -1.98 3.76 0.24 -4.91 115.29 110.56 1wgs s HIS 29 Ca 0.58 -0.21 -0.29 0.00 -0.15 0.00 0.00 55.06 55.00 1wgs s HIS 29 Cb -0.13 -0.79 -0.12 0.00 1.11 0.00 0.00 32.58 32.65 1wgs s HIS 29 CO 0.47 -0.31 1.40 0.43 -0.85 0.00 0.00 174.74 175.88 1wgs n SER 30 N 4.91 3.15 -3.70 1.40 7.64 -1.26 -0.49 113.62 125.28 1wgs n SER 30 Ca -0.11 1.19 -0.11 0.00 1.01 0.00 0.00 58.87 60.86 1wgs n SER 30 Cb 0.50 -1.52 -0.11 0.00 -1.01 0.00 0.00 64.21 62.07 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 -0.77 -0.97 0.22 -0.43 0.00 0.86 -3.85 121.76 116.82 1wgs s ALA 31 Ca 0.58 1.44 -0.30 0.00 0.00 0.00 0.00 51.96 53.68 1wgs s ALA 31 Cb -0.55 -0.91 -0.09 0.00 0.00 0.00 0.00 23.12 21.58 1wgs s ALA 31 CO 0.59 -0.29 1.15 -1.83 0.00 0.00 0.00 175.76 175.38 1wgs s GLU 32 N 1.46 4.56 -0.57 0.00 -1.05 0.52 -1.68 118.70 121.95 1wgs s GLU 32 Ca -0.09 1.83 -0.26 0.00 -0.15 0.00 0.00 54.97 56.30 1wgs s GLU 32 Cb -0.09 -3.22 0.04 0.00 -0.44 0.00 0.00 34.13 30.41 1wgs s GLU 32 CO -0.12 0.05 1.07 0.08 0.95 0.00 0.00 175.26 177.28 1wgs s VAL 33 N -0.52 4.20 0.00 1.83 1.01 -0.66 0.76 120.40 127.02 1wgs s VAL 33 Ca 0.49 0.59 -0.25 0.00 0.00 0.00 0.00 61.98 62.81 1wgs s VAL 33 Cb -0.32 -4.64 -0.14 0.00 0.00 0.00 0.00 36.38 31.29 1wgs s VAL 33 CO 0.39 -1.23 1.03 0.40 0.00 0.00 0.00 175.10 175.68 1wgs h ILE 34 N 6.09 0.06 -2.20 2.22 1.08 0.05 -2.60 117.51 122.21 1wgs h ILE 34 Ca -0.26 -0.38 -0.02 0.00 -0.39 0.00 0.00 64.86 63.82 1wgs h ILE 34 Cb 1.06 0.09 -0.00 0.00 -3.07 0.00 0.00 36.82 34.90 1wgs h ILE 34 CO 1.14 0.01 0.00 0.00 -0.69 0.00 0.00 178.15 178.61 1wgs n GLN 35 N -5.34 0.10 -4.19 2.37 1.13 -1.22 -4.61 117.38 105.62 1wgs n GLN 35 Ca -0.11 -0.31 -0.14 0.00 -1.94 0.00 0.00 57.00 54.50 1wgs n GLN 35 Cb 0.34 0.33 -0.10 0.00 0.11 0.00 0.00 30.24 30.92 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 -1.26 1.44 0.28 1.08 1.04 -1.26 -1.90 113.70 113.12 1wgs s SER 36 Ca 0.03 -0.88 -0.16 0.00 0.48 0.00 0.00 55.95 55.41 1wgs s SER 36 Cb -0.00 0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.15 1wgs s SER 36 CO 0.02 -0.31 0.63 0.00 0.98 0.00 0.00 173.24 174.55 1wgs s ARG 37 N -3.15 1.76 0.04 4.02 1.70 -0.81 -4.95 118.95 117.55 1wgs s ARG 37 Ca 0.08 -1.18 0.05 0.00 -0.47 0.00 0.00 55.73 54.21 1wgs s ARG 37 Cb -0.00 0.55 -0.02 0.00 -0.57 0.00 0.00 34.95 34.91 1wgs s ARG 37 CO -0.01 -0.78 -0.14 0.08 -1.08 0.00 0.00 175.30 173.37 1wgs s VAL 38 N -3.73 1.09 -0.32 4.99 1.01 -1.26 -1.48 120.40 120.70 1wgs s VAL 38 Ca 0.17 -1.02 -0.11 0.00 0.00 0.00 0.00 61.98 61.02 1wgs s VAL 38 Cb -0.04 -0.99 -0.01 0.00 0.00 0.00 0.00 36.38 35.34 1wgs s VAL 38 CO 0.09 -0.02 0.19 0.20 0.00 0.00 0.00 175.10 175.55 1wgs s ASN 39 N -1.19 5.75 0.34 3.32 -0.87 0.16 -4.92 114.94 117.53 1wgs s ASN 39 Ca 0.01 -0.51 0.23 0.00 -1.57 0.00 0.00 52.86 51.02 1wgs s ASN 39 Cb -0.08 -2.05 0.20 0.00 -0.02 0.00 0.00 41.25 39.30 1wgs s ASN 39 CO 0.01 -0.22 1.38 -0.78 -2.57 0.00 0.00 177.10 174.92 1wgs h ASP 40 N 8.41 0.00 0.00 -1.22 1.82 -1.96 0.12 116.42 123.59 1wgs h ASP 40 Ca -0.31 -0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.31 1wgs h ASP 40 Cb 1.15 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 41.16 1wgs h ASP 40 CO 0.62 0.00 -0.15 -0.61 -1.61 0.00 0.00 179.24 177.49 1wgs h GLN 41 N 0.00 0.00 0.03 0.28 4.15 -1.96 -3.38 115.11 114.24 1wgs h GLN 41 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 59.19 1wgs h GLN 41 Cb 1.00 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.68 1wgs h GLN 41 CO 0.00 0.28 -1.00 0.93 -1.93 0.00 0.00 178.83 177.11 1wgs h GLU 42 N -1.00 0.26 -2.06 1.69 4.39 -1.99 -3.48 114.58 112.38 1wgs h GLU 42 Ca -0.02 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1wgs h GLU 42 Cb 0.37 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1wgs h GLU 42 CO -0.01 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 179.31 1wgs n GLY 43 N 1.09 0.57 3.51 -3.84 0.00 0.40 -5.07 105.19 101.85 1wgs n GLY 43 Ca -0.05 -0.41 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.38 1.55 -0.01 1.61 1.70 -1.00 -4.96 118.95 114.45 1wgs s ARG 44 Ca 0.00 -1.39 -0.01 0.00 -0.47 0.00 0.00 55.73 53.86 1wgs s ARG 44 Cb 0.00 0.44 -0.04 0.00 -0.57 0.00 0.00 34.95 34.78 1wgs s ARG 44 CO 0.00 -0.63 0.09 -1.21 -1.08 0.00 0.00 175.30 172.48 1wgs s GLU 45 N -3.88 3.12 0.23 3.89 2.02 -1.26 0.37 118.70 123.20 1wgs s GLU 45 Ca 0.26 -0.45 0.01 0.00 0.02 0.00 0.00 54.97 54.81 1wgs s GLU 45 Cb 0.01 -2.90 -0.05 0.00 0.10 0.00 0.00 34.13 31.29 1wgs s GLU 45 CO 0.11 0.66 0.10 -1.21 0.02 0.00 0.00 175.26 174.93 1wgs s GLU 46 N -1.73 1.31 -0.19 1.61 2.02 -0.55 -4.15 118.70 117.03 1wgs s GLU 46 Ca 0.23 -1.69 -0.08 0.00 0.02 0.00 0.00 54.97 53.45 1wgs s GLU 46 Cb -0.12 -0.09 0.08 0.00 0.10 0.00 0.00 34.13 34.09 1wgs s GLU 46 CO 0.14 -0.31 0.42 -0.06 0.02 0.00 0.00 175.26 175.48 1wgs s PHE 47 N -3.87 -0.74 -0.83 1.61 0.40 0.91 -1.93 117.98 113.53 1wgs s PHE 47 Ca 0.36 1.46 -0.25 0.00 -0.60 0.00 0.00 56.93 57.91 1wgs s PHE 47 Cb 0.07 0.30 -0.02 0.00 0.51 0.00 0.00 43.02 43.89 1wgs s PHE 47 CO 0.12 -0.44 1.80 -0.47 0.70 0.00 0.00 175.22 176.93 1wgs s TYR 48 N 2.20 1.91 -0.06 0.36 5.04 -0.80 -0.89 117.35 125.11 1wgs s TYR 48 Ca -0.04 0.39 -0.11 0.00 -2.44 0.00 0.00 57.07 54.87 1wgs s TYR 48 Cb -0.11 -4.20 -0.05 0.00 0.35 0.00 0.00 41.96 37.95 1wgs s TYR 48 CO -0.13 -1.95 0.27 0.14 -1.34 0.00 0.00 175.55 172.54 1wgs s VAL 49 N 8.70 5.28 -0.21 3.14 -7.23 -1.19 0.80 120.40 129.68 1wgs s VAL 49 Ca 0.63 0.52 -0.04 0.00 -1.81 0.00 0.00 61.98 61.27 1wgs s VAL 49 Cb -0.07 -3.55 -0.01 0.00 0.56 0.00 0.00 36.38 33.30 1wgs s VAL 49 CO 0.05 0.59 -0.03 -2.28 -0.31 0.00 0.00 175.10 173.12 1wgs s HIS 50 N -1.01 2.98 -1.23 2.82 2.46 0.23 -3.75 115.29 117.79 1wgs s HIS 50 Ca 0.19 -0.75 -0.20 0.00 0.47 0.00 0.00 55.06 54.77 1wgs s HIS 50 Cb -0.14 -2.09 0.01 0.00 -0.13 0.00 0.00 32.58 30.22 1wgs s HIS 50 CO 0.08 -0.43 1.80 0.71 -2.47 0.00 0.00 174.74 174.43 1wgs s TYR 51 N 1.29 2.44 0.49 3.88 2.02 -1.18 -0.35 117.35 125.94 1wgs s TYR 51 Ca 0.04 -0.76 0.33 0.00 -0.37 0.00 0.00 57.07 56.30 1wgs s TYR 51 Cb -0.14 -4.46 1.79 0.00 -0.40 0.00 0.00 41.96 38.74 1wgs s TYR 51 CO -0.01 -1.60 2.00 -0.39 -1.57 0.00 0.00 175.55 173.98 1wgs h VAL 52 N 5.92 0.00 -2.21 0.71 -1.51 -1.82 -2.37 116.25 114.98 1wgs h VAL 52 Ca 0.34 0.00 -0.79 0.00 -1.23 0.00 0.00 66.70 65.02 1wgs h VAL 52 Cb 0.91 0.73 -0.28 0.00 -2.13 0.00 0.00 31.29 30.52 1wgs h VAL 52 CO 1.37 0.00 0.95 0.61 -1.23 0.00 0.00 177.57 179.27 1wgs n GLY 53 N -1.18 6.03 0.22 5.19 0.00 -1.26 -4.61 105.19 109.58 1wgs n GLY 53 Ca -0.02 -2.58 0.00 0.00 0.00 0.00 0.00 46.02 43.42 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 -0.14 -0.28 -2.74 1.61 3.72 -0.90 -4.98 117.46 113.75 1wgs n PHE 54 Ca 0.47 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.87 1wgs n PHE 54 Cb 0.27 0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.86 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 -1.10 0.00 -0.09 4.37 5.15 -1.19 -5.06 115.26 117.33 1wgs n ASN 55 Ca 0.00 -0.17 -0.14 0.00 -0.60 0.00 0.00 54.58 53.67 1wgs n ASN 55 Cb 0.00 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.19 1wgs n ASN 55 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1wgs n ARG 56 N 0.00 0.52 -0.43 1.20 3.00 -1.26 -4.21 116.66 115.48 1wgs n ARG 56 Ca 0.00 0.42 0.40 0.00 -0.01 0.00 0.00 57.85 58.66 1wgs n ARG 56 Cb 0.00 -1.61 0.67 0.00 0.00 0.00 0.00 32.46 31.52 1wgs n ARG 56 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 1wgs h ARG 57 N -1.00 0.00 -4.38 5.56 0.11 -1.98 -3.08 114.38 109.61 1wgs h ARG 57 Ca -0.20 0.00 -0.56 0.00 0.10 0.00 0.00 59.98 59.32 1wgs h ARG 57 Cb 0.99 0.00 0.06 0.00 1.11 0.00 0.00 29.97 32.13 1wgs h ARG 57 CO -0.12 0.00 2.10 1.28 0.10 0.00 0.00 179.97 183.33 1wgs n LEU 58 N -3.71 3.42 -3.87 0.08 7.99 -1.26 -4.75 117.00 114.90 1wgs n LEU 58 Ca 0.32 -2.53 -0.29 0.00 -0.01 0.00 0.00 56.01 53.50 1wgs n LEU 58 Cb 1.65 -0.96 -0.16 0.00 -0.11 0.00 0.00 43.42 43.84 1wgs n LEU 58 CO 0.35 -0.56 -0.40 -1.81 -1.51 0.00 0.00 177.39 173.46 1wgs s ASP 59 N 5.12 3.59 -0.03 -1.43 1.01 -1.17 -3.13 116.67 120.64 1wgs s ASP 59 Ca 0.53 -1.10 -0.20 0.00 0.71 0.00 0.00 52.55 52.49 1wgs s ASP 59 Cb 0.13 -1.00 0.04 0.00 1.01 0.00 0.00 42.92 43.10 1wgs s ASP 59 CO 0.13 -0.27 0.43 -1.83 0.21 0.00 0.00 175.17 173.85 1wgs s GLU 60 N 1.54 0.80 0.66 8.23 -1.05 -1.25 -5.07 118.70 122.56 1wgs s GLU 60 Ca -0.04 -0.04 -0.14 0.00 -0.15 0.00 0.00 54.97 54.60 1wgs s GLU 60 Cb -0.18 0.36 -0.00 0.00 -0.44 0.00 0.00 34.13 33.87 1wgs s GLU 60 CO -0.07 -0.23 1.08 -1.58 0.95 0.00 0.00 175.26 175.41 1wgs s TRP 61 N -1.28 2.80 0.11 4.83 0.52 -1.26 -3.16 118.94 121.51 1wgs s TRP 61 Ca -0.13 1.52 -0.00 0.00 0.02 0.00 0.00 56.10 57.51 1wgs s TRP 61 Cb -0.03 -3.06 -0.04 0.00 -1.15 0.00 0.00 33.47 29.19 1wgs s TRP 61 CO 0.06 -1.45 0.01 0.14 0.02 0.00 0.00 176.95 175.74 1wgs s VAL 62 N -2.55 0.27 0.28 4.03 -7.23 -0.07 -4.87 120.40 110.25 1wgs s VAL 62 Ca 0.64 -1.90 0.01 0.00 -1.81 0.00 0.00 61.98 58.93 1wgs s VAL 62 Cb -0.18 -1.89 -0.03 0.00 0.56 0.00 0.00 36.38 34.84 1wgs s VAL 62 CO 0.44 -0.64 0.46 -1.81 -0.31 0.00 0.00 175.10 173.23 1wgs s ASP 63 N -3.03 6.33 0.60 4.85 1.01 -1.26 -0.06 116.67 125.10 1wgs s ASP 63 Ca 0.18 0.33 0.30 0.00 0.71 0.00 0.00 52.55 54.08 1wgs s ASP 63 Cb 0.07 -1.98 1.71 0.00 1.01 0.00 0.00 42.92 43.74 1wgs s ASP 63 CO -0.02 -0.17 2.09 0.11 0.21 0.00 0.00 175.17 177.40 1wgs h LYS 64 N 1.19 0.00 0.07 8.23 1.57 -1.93 0.90 116.57 126.60 1wgs h LYS 64 Ca -0.50 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.10 1wgs h LYS 64 Cb 1.21 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.54 1wgs h LYS 64 CO 0.63 0.00 -0.75 -0.97 -0.57 0.00 0.00 179.45 177.79 1wgs h ASN 65 N 0.00 0.53 -0.20 0.86 -1.24 -1.93 -3.18 115.58 110.43 1wgs h ASN 65 Ca 0.08 -0.85 0.06 0.00 0.71 0.00 0.00 56.30 56.29 1wgs h ASN 65 Cb 0.50 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 1wgs h ASN 65 CO -0.00 1.33 0.19 0.03 -1.29 0.00 0.00 177.43 177.69 1wgs h ARG 66 N -0.19 0.00 -7.10 6.67 3.08 -1.22 -3.42 114.38 112.20 1wgs h ARG 66 Ca -0.11 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.48 1wgs h ARG 66 Cb 1.50 0.00 0.08 0.00 0.08 0.00 0.00 29.97 31.63 1wgs h ARG 66 CO 0.14 0.00 0.10 -0.51 -1.07 0.00 0.00 179.97 178.63 1wgs s LEU 67 N -7.89 3.02 -0.39 3.04 1.43 -0.79 -1.10 118.68 115.98 1wgs s LEU 67 Ca -0.05 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 1wgs s LEU 67 Cb 0.16 -2.32 0.07 0.00 0.03 0.00 0.00 46.19 44.13 1wgs s LEU 67 CO 0.58 -1.71 0.20 0.00 0.23 0.00 0.00 176.35 175.66 1wgs s ALA 68 N -3.10 3.20 -0.49 4.21 0.00 -0.96 -4.94 121.76 119.68 1wgs s ALA 68 Ca 0.64 -2.07 -0.04 0.00 0.00 0.00 0.00 51.96 50.48 1wgs s ALA 68 Cb -0.07 -2.50 0.13 0.00 0.00 0.00 0.00 23.12 20.68 1wgs s ALA 68 CO 0.43 -1.57 0.31 -0.51 0.00 0.00 0.00 175.76 174.42 1wgs s LEU 69 N 1.38 5.38 0.15 0.00 1.43 -1.26 -4.74 118.68 121.03 1wgs s LEU 69 Ca 0.02 -2.23 0.00 0.00 -1.03 0.00 0.00 54.13 50.89 1wgs s LEU 69 Cb -0.22 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1wgs s LEU 69 CO 0.01 -0.53 0.00 0.41 0.23 0.00 0.00 176.35 176.47 1wgs n THR 70 N 4.37 0.00 0.29 5.49 -1.04 -1.26 -4.01 114.28 118.12 1wgs n THR 70 Ca -0.01 0.12 0.19 0.00 -2.04 0.00 0.00 64.05 62.32 1wgs n THR 70 Cb 0.40 -0.29 1.02 0.00 -1.82 0.00 0.00 70.33 69.65 1wgs n THR 70 CO 0.00 0.00 0.00 0.07 -0.64 0.00 0.00 175.07 174.50 1wgs h LYS 71 N -0.45 0.00 -0.94 -2.82 2.10 -2.04 -2.84 116.57 109.58 1wgs h LYS 71 Ca -0.02 0.00 0.18 0.00 -2.00 0.00 0.00 60.65 58.81 1wgs h LYS 71 Cb 0.44 0.00 -0.17 0.00 -0.90 0.00 0.00 32.23 31.60 1wgs h LYS 71 CO 0.01 0.00 -0.27 2.41 -2.00 0.00 0.00 179.45 179.60 1wgs n THR 72 N -2.82 -0.42 -5.24 0.07 -1.04 -1.26 -4.24 114.28 99.33 1wgs n THR 72 Ca -0.02 2.17 -0.30 0.00 -2.04 0.00 0.00 64.05 63.86 1wgs n THR 72 Cb 0.07 -2.97 -0.16 0.00 -1.82 0.00 0.00 70.33 65.45 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 -6.11 1.96 -2.03 12.58 -7.23 -1.07 -5.09 120.40 113.40 1wgs s VAL 73 Ca -0.14 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 1wgs s VAL 73 Cb 0.24 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.55 1wgs s VAL 73 CO 0.72 0.55 0.00 0.29 -0.31 0.00 0.00 175.10 176.35 1wgs n LYS 74 N 2.48 -1.36 -4.04 4.82 5.02 -1.26 -4.57 118.16 119.26 1wgs n LYS 74 Ca -0.16 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.03 1wgs n LYS 74 Cb 0.51 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.45 1wgs n LYS 74 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1wgs s ASP 75 N -4.00 0.00 -0.48 4.39 1.11 -1.26 -5.00 116.67 111.42 1wgs s ASP 75 Ca 0.00 -1.04 -0.15 0.00 0.18 0.00 0.00 52.55 51.53 1wgs s ASP 75 Cb 0.00 0.50 0.02 0.00 1.07 0.00 0.00 42.92 44.51 1wgs s ASP 75 CO 0.00 -1.00 0.62 0.00 1.18 0.00 0.00 175.17 175.97 1wgs n ALA 76 N -0.31 -2.88 -2.70 5.23 0.00 -1.26 -4.90 120.51 113.69 1wgs n ALA 76 Ca -0.02 0.92 -0.39 0.00 0.00 0.00 0.00 53.44 53.95 1wgs n ALA 76 Cb 0.63 -3.29 0.01 0.00 0.00 0.00 0.00 19.45 16.80 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 -0.55 5.64 0.00 0.00 0.24 -1.26 -4.50 118.33 117.90 1wgs n VAL 77 Ca 0.08 -5.93 0.00 0.00 -2.04 0.00 0.00 64.34 56.45 1wgs n VAL 77 Cb 0.49 -1.54 0.00 0.00 -1.47 0.00 0.00 33.84 31.32 1wgs n VAL 77 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 1wgs n GLN 78 N -0.05 0.00 -1.67 7.34 -0.06 -1.26 -5.08 117.38 116.60 1wgs n GLN 78 Ca 0.44 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 55.05 1wgs n GLN 78 Cb 0.28 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.43 1wgs n GLN 78 CO 0.00 0.00 0.00 0.15 -0.20 0.00 0.00 177.06 177.01 1wgs s LYS 79 N 0.00 2.55 0.10 3.69 1.02 -1.26 -4.58 119.74 121.26 1wgs s LYS 79 Ca 0.00 1.49 0.00 0.00 0.02 0.00 0.00 55.97 57.48 1wgs s LYS 79 Cb 0.00 -4.47 0.00 0.00 -0.52 0.00 0.00 37.83 32.84 1wgs s LYS 79 CO 0.00 -2.77 0.00 0.09 -0.92 0.00 0.00 175.35 171.75 1wgs n ASN 80 N 13.91 0.25 -3.75 2.83 3.02 -1.26 -5.00 115.26 125.26 1wgs n ASN 80 Ca 0.32 0.16 -0.27 0.00 -0.03 0.00 0.00 54.58 54.76 1wgs n ASN 80 Cb 0.51 0.01 0.01 0.00 -0.61 0.00 0.00 39.78 39.70 1wgs n ASN 80 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1wgs n SER 81 N -3.14 -4.93 -2.32 6.41 3.41 -1.26 -3.29 113.62 108.49 1wgs n SER 81 Ca 0.00 -0.85 -0.04 0.00 -0.26 0.00 0.00 58.87 57.72 1wgs n SER 81 Cb 0.13 -1.64 0.02 0.00 -0.26 0.00 0.00 64.21 62.45 1wgs n SER 81 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wgs n GLU 82 N -2.25 -0.91 -4.08 4.33 1.02 -1.26 -5.04 120.64 112.45 1wgs n GLU 82 Ca -0.29 0.68 -0.32 0.00 -0.02 0.00 0.00 57.16 57.21 1wgs n GLU 82 Cb 0.70 -3.63 -0.15 0.00 -0.02 0.00 0.00 31.44 28.33 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 -3.38 2.42 0.25 3.49 2.36 -1.21 -5.05 119.74 118.61 1wgs s LYS 83 Ca 0.13 -1.21 0.00 0.00 -2.55 0.00 0.00 55.97 52.34 1wgs s LYS 83 Cb -0.02 -2.80 0.00 0.00 -1.05 0.00 0.00 37.83 33.96 1wgs s LYS 83 CO 0.37 -0.48 0.00 0.98 1.55 0.00 0.00 175.35 177.77 1wgs n TYR 84 N 4.48 -2.18 -1.88 4.03 4.19 -1.26 -4.98 117.16 119.56 1wgs n TYR 84 Ca -0.16 1.12 -0.02 0.00 3.31 0.00 0.00 57.90 62.15 1wgs n TYR 84 Cb 0.44 -1.98 0.00 0.00 0.49 0.00 0.00 39.34 38.29 1wgs n TYR 84 CO 0.00 0.00 0.00 -0.11 0.91 0.00 0.00 176.86 177.66 1wgs n LEU 85 N -3.05 -3.66 -4.47 2.98 -0.00 -1.26 -4.95 117.00 102.59 1wgs n LEU 85 Ca -0.01 0.14 -0.40 0.00 -0.00 0.00 0.00 56.01 55.74 1wgs n LEU 85 Cb 0.60 -1.68 0.02 0.00 -0.00 0.00 0.00 43.42 42.37 1wgs n LEU 85 CO 0.01 -0.64 0.11 -1.20 -0.00 0.00 0.00 177.39 175.67 1wgs n SER 86 N -0.49 -0.75 -1.93 1.96 7.64 -1.26 -4.99 113.62 113.79 1wgs n SER 86 Ca 0.03 0.85 -0.08 0.00 1.01 0.00 0.00 58.87 60.68 1wgs n SER 86 Cb 0.15 -1.16 -0.03 0.00 -1.01 0.00 0.00 64.21 62.17 1wgs n SER 86 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1wgs n GLU 87 N 0.29 0.23 -3.66 1.43 0.28 -1.26 -5.18 120.64 112.77 1wgs n GLU 87 Ca 0.11 -1.36 -0.12 0.00 -0.16 0.00 0.00 57.16 55.64 1wgs n GLU 87 Cb 0.43 1.19 -0.06 0.00 1.43 0.00 0.00 31.44 34.43 1wgs n GLU 87 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 1wgs s LEU 88 N 0.00 0.46 0.00 -1.84 -0.00 -1.26 -5.18 118.68 110.86 1wgs s LEU 88 Ca 0.15 -0.17 0.01 0.00 -0.00 0.00 0.00 54.13 54.12 1wgs s LEU 88 Cb 0.00 1.74 -0.00 0.00 -0.00 0.00 0.00 46.19 47.93 1wgs s LEU 88 CO 0.11 -0.75 0.02 0.00 -0.00 0.00 0.00 176.35 175.73 1wgs n ALA 89 N 0.17 0.08 -2.31 1.48 0.00 -1.26 -5.18 120.51 113.49 1wgs n ALA 89 Ca -0.17 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1wgs n ALA 89 Cb 0.62 0.19 0.00 0.00 0.00 0.00 0.00 19.45 20.25 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 -0.12 3.16 -4.31 0.00 2.13 -1.26 -5.15 120.64 115.08 1wgs n GLU 90 Ca -0.01 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.64 1wgs n GLU 90 Cb 0.08 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.69 1wgs n GLU 90 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1wgs s GLN 91 N 2.24 1.24 0.61 5.31 -0.21 -1.26 -5.14 119.66 122.44 1wgs s GLN 91 Ca 0.00 -1.55 -0.15 0.00 0.02 0.00 0.00 55.36 53.68 1wgs s GLN 91 Cb 0.00 -0.91 -0.03 0.00 1.00 0.00 0.00 33.01 33.07 1wgs s GLN 91 CO 0.00 0.12 1.05 -1.25 -2.12 0.00 0.00 175.29 173.09 1wgs s PRO 92 N -3.70 3.31 0.26 2.91 0.04 -1.26 -5.08 135.00 131.49 1wgs s PRO 92 Ca 0.21 1.13 0.02 0.00 0.04 0.00 0.00 61.00 62.40 1wgs s PRO 92 Cb 0.01 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.46 1wgs s PRO 92 CO 0.05 -0.81 0.08 -2.00 0.04 0.00 0.00 177.00 174.35 1wgs s GLU 93 N -4.26 1.42 0.08 4.56 2.12 -1.26 -5.16 118.70 116.20 1wgs s GLU 93 Ca 0.62 -1.77 0.08 0.00 0.36 0.00 0.00 54.97 54.26 1wgs s GLU 93 Cb -0.15 -0.38 -0.04 0.00 0.26 0.00 0.00 34.13 33.83 1wgs s GLU 93 CO 0.40 -0.26 -0.16 0.50 -0.54 0.00 0.00 175.26 175.20 1wgs s ARG 94 N -3.99 1.97 0.02 4.30 3.52 -1.26 -5.13 118.95 118.38 1wgs s ARG 94 Ca 0.36 -1.06 0.05 0.00 -0.13 0.00 0.00 55.73 54.94 1wgs s ARG 94 Cb 0.08 -2.18 -0.02 0.00 -1.56 0.00 0.00 34.95 31.27 1wgs s ARG 94 CO 0.13 0.51 -0.14 0.21 -0.81 0.00 0.00 175.30 175.20 1wgs s LYS 95 N -1.85 0.99 0.29 5.12 2.36 -1.26 -5.15 119.74 120.24 1wgs s LYS 95 Ca 0.17 -0.67 0.07 0.00 -2.55 0.00 0.00 55.97 52.99 1wgs s LYS 95 Cb -0.11 -0.99 -0.03 0.00 -1.05 0.00 0.00 37.83 35.66 1wgs s LYS 95 CO 0.09 0.25 0.28 0.42 1.55 0.00 0.00 175.35 177.94 1wgs s ILE 96 N -0.67 4.10 0.09 5.43 1.09 -1.26 -5.13 121.20 124.84 1wgs s ILE 96 Ca 0.03 -1.31 -0.11 0.00 -1.10 0.00 0.00 60.65 58.16 1wgs s ILE 96 Cb -0.07 -3.35 0.01 0.00 -1.06 0.00 0.00 42.46 37.99 1wgs s ILE 96 CO 0.01 -0.25 0.25 0.28 -0.10 0.00 0.00 174.94 175.12 1wgs s THR 97 N -2.20 0.12 0.10 2.92 -1.32 -1.26 -5.18 115.64 108.83 1wgs s THR 97 Ca 0.38 -0.99 -0.26 0.00 -1.21 0.00 0.00 61.69 59.60 1wgs s THR 97 Cb -0.07 -1.25 0.08 0.00 -1.51 0.00 0.00 72.50 69.75 1wgs s THR 97 CO 0.27 -0.55 0.99 -0.60 -2.21 0.00 0.00 174.62 172.52 1wgs s ARG 98 N -3.68 1.03 -0.10 7.08 3.52 -1.26 -5.19 118.95 120.35 1wgs s ARG 98 Ca 0.03 -0.54 -0.33 0.00 -0.13 0.00 0.00 55.73 54.77 1wgs s ARG 98 Cb 0.03 0.37 0.14 0.00 -1.56 0.00 0.00 34.95 33.93 1wgs s ARG 98 CO -0.10 -0.47 1.44 0.54 -0.81 0.00 0.00 175.30 175.90 1wgs s ASN 99 N -2.86 -0.00 0.03 -2.12 2.20 -1.26 -5.19 114.94 105.74 1wgs s ASN 99 Ca 0.11 -0.00 -0.29 0.00 -0.94 0.00 0.00 52.86 51.75 1wgs s ASN 99 Cb -0.01 0.00 0.10 0.00 -2.00 0.00 0.00 41.25 39.35 1wgs s ASN 99 CO -0.00 -0.00 1.20 -1.58 -2.94 0.00 0.00 177.10 173.78 1wgs s GLN 100 N -2.00 0.62 -0.07 3.55 0.74 -1.26 -5.19 119.66 116.05 1wgs s GLN 100 Ca 0.19 -0.35 -0.32 0.00 0.05 0.00 0.00 55.36 54.93 1wgs s GLN 100 Cb 0.06 0.21 0.14 0.00 1.10 0.00 0.00 33.01 34.52 1wgs s GLN 100 CO -0.06 -0.28 1.36 0.21 -0.55 0.00 0.00 175.29 175.97 1wgs s LYS 101 N -2.59 0.20 0.17 1.67 2.36 -1.26 -5.19 119.74 115.09 1wgs s LYS 101 Ca 0.15 -0.11 -0.24 0.00 -2.55 0.00 0.00 55.97 53.23 1wgs s LYS 101 Cb 0.03 0.07 0.07 0.00 -1.05 0.00 0.00 37.83 36.95 1wgs s LYS 101 CO -0.02 -0.09 1.01 -0.98 1.55 0.00 0.00 175.35 176.83 1wgs s ARG 102 N -2.22 1.24 0.09 4.03 1.70 -1.26 -5.19 118.95 117.34 1wgs s ARG 102 Ca 0.14 -0.75 -0.27 0.00 -0.47 0.00 0.00 55.73 54.38 1wgs s ARG 102 Cb 0.06 0.38 0.08 0.00 -0.57 0.00 0.00 34.95 34.90 1wgs s ARG 102 CO -0.05 -0.58 1.06 -1.59 -1.08 0.00 0.00 175.30 173.06 1wgs s LYS 103 N -2.64 0.92 0.15 3.89 0.00 -1.26 -5.19 119.74 115.61 1wgs s LYS 103 Ca 0.17 -0.50 -0.24 0.00 0.00 0.00 0.00 55.97 55.40 1wgs s LYS 103 Cb -0.02 0.32 0.06 0.00 0.00 0.00 0.00 37.83 38.20 1wgs s LYS 103 CO 0.04 -0.42 0.80 -1.01 0.00 0.00 0.00 175.35 174.76 1wgs s HIS 104 N -3.00 -0.28 0.35 1.78 3.76 -1.26 -5.18 115.29 111.45 1wgs s HIS 104 Ca 0.12 0.00 0.07 0.00 -0.15 0.00 0.00 55.06 55.10 1wgs s HIS 104 Cb 0.01 0.62 -0.07 0.00 1.11 0.00 0.00 32.58 34.24 1wgs s HIS 104 CO -0.00 -0.87 -0.02 0.16 -0.85 0.00 0.00 174.74 173.16 1wgs s ASP 105 N -2.79 3.33 0.03 1.40 -4.77 -1.26 -5.15 116.67 107.46 1wgs s ASP 105 Ca 0.08 -1.30 -0.29 0.00 -3.30 0.00 0.00 52.55 47.74 1wgs s ASP 105 Cb -0.02 -0.28 0.11 0.00 -1.09 0.00 0.00 42.92 41.63 1wgs s ASP 105 CO -0.03 -0.41 1.20 -0.70 0.70 0.00 0.00 175.17 175.94 1wgs s GLU 106 N -3.73 0.61 0.33 2.11 2.12 -1.26 -5.14 118.70 113.74 1wgs s GLU 106 Ca 0.34 -0.34 0.00 0.00 0.36 0.00 0.00 54.97 55.33 1wgs s GLU 106 Cb 0.07 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.67 1wgs s GLU 106 CO 0.16 -0.28 0.00 -0.89 -0.54 0.00 0.00 175.26 173.71 1wgs n ILE 107 N -0.49 -6.43 0.00 -3.70 5.41 -1.26 -5.09 119.36 107.80 1wgs n ILE 107 Ca -0.08 2.55 0.00 0.00 1.00 0.00 0.00 62.75 66.22 1wgs n ILE 107 Cb 0.62 -3.55 0.00 0.00 -0.71 0.00 0.00 39.64 36.00 1wgs n ILE 107 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1wgs n ASN 108 N 0.62 0.00 -3.67 4.38 5.15 -1.26 -5.19 115.26 115.29 1wgs n ASN 108 Ca 0.00 0.00 0.02 0.00 -0.60 0.00 0.00 54.58 54.00 1wgs n ASN 108 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 1wgs n ASN 108 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 1wgs s HIS 109 N 0.00 -0.01 0.26 1.20 -3.43 -1.26 -5.19 115.29 106.86 1wgs s HIS 109 Ca 0.00 -0.12 -0.20 0.00 -0.80 0.00 0.00 55.06 53.94 1wgs s HIS 109 Cb 0.00 0.56 0.02 0.00 -1.43 0.00 0.00 32.58 31.73 1wgs s HIS 109 CO 0.00 -0.32 0.67 0.54 -2.00 0.00 0.00 174.74 173.63 1wgs s VAL 110 N -2.29 0.00 0.41 -5.38 0.11 -1.26 -5.19 120.40 106.81 1wgs s VAL 110 Ca 0.20 -0.94 0.03 0.00 -2.93 0.00 0.00 61.98 58.33 1wgs s VAL 110 Cb 0.03 -1.91 0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1wgs s VAL 110 CO -0.02 -0.01 0.27 0.00 -3.33 0.00 0.00 175.10 172.01 1wgs n GLN 111 N -0.44 0.90 -3.10 1.54 0.00 -1.26 -5.13 117.38 109.90 1wgs n GLN 111 Ca -0.05 -2.64 0.02 0.00 0.00 0.00 0.00 57.00 54.33 1wgs n GLN 111 Cb 0.60 0.35 -0.00 0.00 0.00 0.00 0.00 30.24 31.18 1wgs n GLN 111 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1wgs s LYS 112 N -3.67 0.60 0.74 2.61 2.20 -1.26 -5.16 119.74 115.81 1wgs s LYS 112 Ca 0.20 -0.08 -0.06 0.00 -0.36 0.00 0.00 55.97 55.67 1wgs s LYS 112 Cb -0.02 0.10 0.10 0.00 -1.51 0.00 0.00 37.83 36.51 1wgs s LYS 112 CO 0.13 -0.92 1.05 0.99 -0.36 0.00 0.00 175.35 176.24 1wgs s THR 113 N 2.08 2.22 0.01 3.43 2.01 -1.26 -5.12 115.64 119.01 1wgs s THR 113 Ca 0.15 -0.33 -0.21 0.00 0.31 0.00 0.00 61.69 61.62 1wgs s THR 113 Cb -0.03 -2.89 0.04 0.00 0.01 0.00 0.00 72.50 69.63 1wgs s THR 113 CO -0.12 0.00 0.47 -0.72 -0.69 0.00 0.00 174.62 173.55 1wgs s TYR 114 N -3.30 -0.36 -0.30 4.92 -0.85 -1.26 -5.16 117.35 111.04 1wgs s TYR 114 Ca 0.64 0.49 -0.16 0.00 -0.52 0.00 0.00 57.07 57.52 1wgs s TYR 114 Cb -0.08 0.25 0.18 0.00 0.38 0.00 0.00 41.96 42.69 1wgs s TYR 114 CO 0.46 -0.54 1.11 0.00 -1.52 0.00 0.00 175.55 175.05 1wgs s ALA 115 N -1.84 -2.64 -0.34 9.51 0.00 -1.26 -5.08 121.76 120.11 1wgs s ALA 115 Ca -0.09 2.04 0.04 0.00 0.00 0.00 0.00 51.96 53.95 1wgs s ALA 115 Cb -0.02 -1.95 0.23 0.00 0.00 0.00 0.00 23.12 21.37 1wgs s ALA 115 CO 0.03 -0.56 1.23 -0.85 0.00 0.00 0.00 175.76 175.60 1wgs n GLU 116 N 3.92 0.37 -3.08 0.00 0.28 -1.26 -5.16 120.64 115.71 1wgs n GLU 116 Ca -0.14 -0.95 -0.24 0.00 -0.16 0.00 0.00 57.16 55.66 1wgs n GLU 116 Cb 0.56 -0.17 0.00 0.00 1.43 0.00 0.00 31.44 33.26 1wgs n GLU 116 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1wgs s MET 117 N 0.08 3.27 0.03 3.44 0.23 -1.26 -5.11 119.30 119.98 1wgs s MET 117 Ca 0.14 -0.34 0.07 0.00 -1.03 0.00 0.00 55.69 54.52 1wgs s MET 117 Cb 0.21 -2.57 -0.02 0.00 -1.53 0.00 0.00 34.83 30.92 1wgs s MET 117 CO -0.10 -0.12 -0.19 0.34 -2.03 0.00 0.00 175.02 172.92 1wgs s ASP 118 N -4.14 2.28 -0.06 -1.18 -1.08 -1.26 -5.07 116.67 106.16 1wgs s ASP 118 Ca 0.45 -0.46 -0.10 0.00 -0.52 0.00 0.00 52.55 51.92 1wgs s ASP 118 Cb -0.10 -0.20 -0.06 0.00 -1.46 0.00 0.00 42.92 41.10 1wgs s ASP 118 CO 0.38 0.16 0.41 1.55 0.52 0.00 0.00 175.17 178.19 1wgs h PRO 119 N 5.09 -0.32 -2.69 4.34 0.13 -2.09 -3.50 132.00 132.96 1wgs h PRO 119 Ca -0.41 0.02 0.08 0.00 -0.87 0.00 0.00 66.00 64.83 1wgs h PRO 119 Cb 1.16 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.32 1wgs h PRO 119 CO 0.45 -0.19 -0.79 2.41 -0.23 0.00 0.00 178.00 179.66 1wgs n THR 120 N -4.99 -1.68 -3.61 1.56 -1.04 -1.26 -5.09 114.28 98.17 1wgs n THR 120 Ca -0.04 0.95 0.02 0.00 -2.04 0.00 0.00 64.05 62.94 1wgs n THR 120 Cb 0.14 -1.55 -0.00 0.00 -1.82 0.00 0.00 70.33 67.09 1wgs n THR 120 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 1wgs s THR 121 N -4.71 0.00 -0.29 12.58 -1.32 -1.26 -5.19 115.64 115.45 1wgs s THR 121 Ca 0.00 -0.18 -0.29 0.00 -1.21 0.00 0.00 61.69 60.02 1wgs s THR 121 Cb 0.00 -1.99 0.20 0.00 -1.51 0.00 0.00 72.50 69.20 1wgs s THR 121 CO 0.00 0.00 1.39 0.00 -2.21 0.00 0.00 174.62 173.80 1wgs s ALA 122 N -2.35 -2.14 0.00 11.08 0.00 -1.26 -5.19 121.76 121.90 1wgs s ALA 122 Ca 0.14 1.89 0.00 0.00 0.00 0.00 0.00 51.96 53.99 1wgs s ALA 122 Cb 0.05 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.57 1wgs s ALA 122 CO -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 175.76 175.50 1wgs n ALA 123 N 0.60 0.00 -0.53 0.00 0.00 -1.26 -5.05 120.51 114.28 1wgs n ALA 123 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wgs n ALA 123 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.85 0.00 4.77 -1.26 -4.87 117.00 113.80 1wgs n LEU 124 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1wgs n LEU 124 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1wgs n LEU 124 CO 0.00 0.00 -0.43 1.21 -1.33 0.00 0.00 177.39 176.84 1wgs n GLU 125 N 0.00 -4.98 -2.50 3.23 4.07 -1.26 -4.90 120.64 114.29 1wgs n GLU 125 Ca 0.00 3.58 -0.38 0.00 -0.06 0.00 0.00 57.16 60.30 1wgs n GLU 125 Cb 0.00 -3.84 -0.04 0.00 -0.06 0.00 0.00 31.44 27.50 1wgs n GLU 125 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1wgs s LYS 126 N -1.35 4.36 -0.28 5.31 2.47 -1.26 -5.03 119.74 123.96 1wgs s LYS 126 Ca 0.00 1.65 -0.25 0.00 -1.56 0.00 0.00 55.97 55.80 1wgs s LYS 126 Cb 0.00 -2.83 0.16 0.00 -1.46 0.00 0.00 37.83 33.70 1wgs s LYS 126 CO 0.00 0.00 1.23 -1.83 0.16 0.00 0.00 175.35 174.92 1wgs s GLU 127 N -2.03 0.29 0.04 4.03 -1.05 -1.26 -5.19 118.70 113.53 1wgs s GLU 127 Ca 0.52 0.31 -0.28 0.00 -0.15 0.00 0.00 54.97 55.36 1wgs s GLU 127 Cb -0.27 0.14 0.10 0.00 -0.44 0.00 0.00 34.13 33.66 1wgs s GLU 127 CO 0.34 -0.04 1.18 -1.54 0.95 0.00 0.00 175.26 176.15 1wgs s SER 128 N 0.01 -0.08 0.00 0.83 1.04 -1.26 -5.15 113.70 109.09 1wgs s SER 128 Ca 0.05 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1wgs s SER 128 Cb -0.05 0.27 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1wgs s SER 128 CO -0.10 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.23 1wgs n GLY 129 N -0.52 -0.48 1.99 7.32 0.00 -1.26 -5.18 105.19 107.07 1wgs n GLY 129 Ca -0.07 0.73 -0.16 0.00 0.00 0.00 0.00 46.02 46.52 1wgs n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgs n PRO 130 N 0.00 -1.42 -3.76 1.61 -0.04 -1.26 -5.10 135.00 125.03 1wgs n PRO 130 Ca 0.00 -1.03 -0.02 0.00 -0.04 0.00 0.00 63.50 62.41 1wgs n PRO 130 Cb 0.00 -0.81 -0.00 0.00 -0.04 0.00 0.00 33.50 32.64 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1wgs s SER 131 N -3.37 -0.11 0.26 3.54 1.04 -1.26 -5.10 113.70 108.70 1wgs s SER 131 Ca 0.40 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1wgs s SER 131 Cb -0.02 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.51 1wgs s SER 131 CO 0.29 -0.78 0.00 -1.20 0.98 0.00 0.00 173.24 172.53 1wgs n SER 132 N -0.64 -0.34 0.00 7.02 7.64 -1.26 -5.38 113.62 120.66 1wgs n SER 132 Ca -0.06 0.45 0.00 0.00 1.01 0.00 0.00 58.87 60.27 1wgs n SER 132 Cb 0.61 0.52 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 1wgs n SER 132 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64