#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 2.67 0.14 1.61 0.15 -1.26 -5.13 113.70 111.88 1wgs s SER 2 Ca 0.00 -0.57 -0.10 0.00 0.70 0.00 0.00 55.95 55.98 1wgs s SER 2 Cb 0.00 -0.90 -0.06 0.00 -1.71 0.00 0.00 66.02 63.35 1wgs s SER 2 CO 0.00 -0.17 0.47 -0.94 1.20 0.00 0.00 173.24 173.81 1wgs s SER 3 N 1.65 6.67 0.00 5.45 1.04 -1.26 -4.96 113.70 122.29 1wgs s SER 3 Ca 0.02 0.88 0.00 0.00 0.48 0.00 0.00 55.95 57.32 1wgs s SER 3 Cb -0.15 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.77 1wgs s SER 3 CO -0.08 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.84 1wgs n GLY 4 N 0.56 3.13 3.45 7.32 0.00 -1.26 -5.06 105.19 113.33 1wgs n GLY 4 Ca -0.05 -1.20 -0.42 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 6.02 0.03 1.61 0.01 -1.26 -5.05 113.70 115.05 1wgs s SER 5 Ca 0.00 -0.86 -0.30 0.00 1.31 0.00 0.00 55.95 56.10 1wgs s SER 5 Cb 0.00 -2.13 -0.06 0.00 0.21 0.00 0.00 66.02 64.04 1wgs s SER 5 CO 0.00 -0.41 1.45 -0.44 0.41 0.00 0.00 173.24 174.25 1wgs s SER 6 N 1.66 6.80 0.57 2.44 0.01 -1.26 -5.01 113.70 118.91 1wgs s SER 6 Ca 0.04 2.20 0.09 0.00 1.31 0.00 0.00 55.95 59.60 1wgs s SER 6 Cb -0.19 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.56 1wgs s SER 6 CO 0.09 -0.74 0.72 -0.83 0.41 0.00 0.00 173.24 172.89 1wgs s GLY 7 N 1.89 1.84 -0.19 3.44 0.00 -1.26 -5.14 107.32 107.90 1wgs s GLY 7 Ca 0.66 -1.99 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1wgs s GLY 7 CO 0.28 -1.73 1.10 -1.83 0.00 0.00 0.00 173.10 170.92 1wgs s GLU 8 N -4.60 0.44 1.11 2.90 -1.05 -1.26 -5.18 118.70 111.06 1wgs s GLU 8 Ca 0.57 0.07 -0.18 0.00 -0.15 0.00 0.00 54.97 55.28 1wgs s GLU 8 Cb -0.05 0.21 0.26 0.00 -0.44 0.00 0.00 34.13 34.10 1wgs s GLU 8 CO 0.36 -0.14 1.23 -1.25 0.95 0.00 0.00 175.26 176.40 1wgs s PRO 9 N -1.26 -0.49 0.00 -4.83 0.04 -1.26 -5.00 135.00 122.20 1wgs s PRO 9 Ca 0.02 -0.32 -0.24 0.00 0.04 0.00 0.00 61.00 60.50 1wgs s PRO 9 Cb -0.01 -1.70 -0.16 0.00 0.04 0.00 0.00 34.50 32.67 1wgs s PRO 9 CO -0.02 -3.18 1.14 0.93 0.04 0.00 0.00 177.00 175.91 1wgs h GLU 10 N -2.20 -0.49 -5.11 4.56 5.08 -2.04 -3.47 114.58 110.92 1wgs h GLU 10 Ca -0.44 0.03 -0.59 0.00 -1.00 0.00 0.00 59.36 57.37 1wgs h GLU 10 Cb 1.25 0.11 -0.13 0.00 0.50 0.00 0.00 28.75 30.48 1wgs h GLU 10 CO 0.32 -0.17 -0.52 0.54 -1.00 0.00 0.00 179.01 178.18 1wgs s VAL 11 N -4.48 0.82 0.03 3.13 0.11 -1.26 -5.15 120.40 113.61 1wgs s VAL 11 Ca -0.14 -2.00 -0.23 0.00 -2.93 0.00 0.00 61.98 56.69 1wgs s VAL 11 Cb 0.02 -2.33 0.05 0.00 -1.53 0.00 0.00 36.38 32.59 1wgs s VAL 11 CO 0.50 0.00 0.52 -0.89 -3.33 0.00 0.00 175.10 171.89 1wgs s THR 12 N -3.11 0.03 -0.09 5.04 2.01 -1.26 -5.16 115.64 113.10 1wgs s THR 12 Ca 0.20 -0.24 0.01 0.00 0.31 0.00 0.00 61.69 61.97 1wgs s THR 12 Cb 0.03 -0.95 -0.02 0.00 0.01 0.00 0.00 72.50 71.56 1wgs s THR 12 CO 0.11 -0.13 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.10 1wgs s VAL 13 N -2.25 3.16 0.17 3.82 1.01 -1.26 -5.09 120.40 119.97 1wgs s VAL 13 Ca -0.06 -0.65 0.09 0.00 0.00 0.00 0.00 61.98 61.35 1wgs s VAL 13 Cb -0.01 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1wgs s VAL 13 CO -0.00 0.56 -0.18 -1.61 0.00 0.00 0.00 175.10 173.86 1wgs s GLU 14 N -0.20 1.29 0.45 2.72 2.02 -1.26 -5.12 118.70 118.59 1wgs s GLU 14 Ca 0.01 -1.42 -0.04 0.00 0.02 0.00 0.00 54.97 53.54 1wgs s GLU 14 Cb -0.13 -1.35 -0.04 0.00 0.10 0.00 0.00 34.13 32.71 1wgs s GLU 14 CO 0.03 0.27 0.73 0.42 0.02 0.00 0.00 175.26 176.74 1wgs s ILE 15 N -2.05 4.95 0.00 -1.63 -1.09 -1.26 -4.07 121.20 116.05 1wgs s ILE 15 Ca 0.16 0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1wgs s ILE 15 Cb -0.06 -3.86 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1wgs s ILE 15 CO 0.07 -0.77 0.00 0.61 -1.23 0.00 0.00 174.94 173.61 1wgs n GLY 16 N -2.12 2.76 3.93 6.18 0.00 -0.99 -5.00 105.19 109.96 1wgs n GLY 16 Ca -0.01 0.00 -0.25 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 -0.02 3.13 -0.02 1.61 8.01 -1.26 -4.80 118.70 125.35 1wgs s GLU 17 Ca 0.00 -0.17 0.02 0.00 0.01 0.00 0.00 54.97 54.83 1wgs s GLU 17 Cb 0.00 -2.43 -0.03 0.00 -4.31 0.00 0.00 34.13 27.36 1wgs s GLU 17 CO 0.00 -0.38 -0.04 0.99 0.01 0.00 0.00 175.26 175.83 1wgs s THR 18 N -2.73 3.86 0.17 3.63 2.01 -1.26 -1.39 115.64 119.92 1wgs s THR 18 Ca 0.50 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.91 1wgs s THR 18 Cb -0.10 -2.66 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 1wgs s THR 18 CO 0.42 0.46 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.48 1wgs s TYR 19 N -0.96 1.22 -0.29 4.92 1.51 -0.43 -4.93 117.35 118.38 1wgs s TYR 19 Ca 0.16 -0.97 -0.24 0.00 -1.01 0.00 0.00 57.07 55.01 1wgs s TYR 19 Cb -0.11 -0.69 -0.00 0.00 -0.11 0.00 0.00 41.96 41.05 1wgs s TYR 19 CO 0.06 -0.16 0.80 -0.51 -1.11 0.00 0.00 175.55 174.63 1wgs s LEU 20 N -3.17 4.08 0.01 -1.29 2.01 -1.26 -0.89 118.68 118.17 1wgs s LEU 20 Ca 0.22 0.77 -0.01 0.00 0.01 0.00 0.00 54.13 55.13 1wgs s LEU 20 Cb 0.06 -3.11 -0.04 0.00 0.01 0.00 0.00 46.19 43.11 1wgs s LEU 20 CO 0.03 -0.59 0.13 0.00 1.01 0.00 0.00 176.35 176.93 1wgs s ARG 22 N -1.99 3.72 0.09 0.00 6.06 0.14 -2.25 118.95 124.71 1wgs s ARG 22 Ca 0.27 1.85 0.03 0.00 -2.50 0.00 0.00 55.73 55.38 1wgs s ARG 22 Cb -0.12 -2.43 -0.04 0.00 0.06 0.00 0.00 34.95 32.43 1wgs s ARG 22 CO 0.18 -0.61 -0.09 1.03 -2.50 0.00 0.00 175.30 173.32 1wgs s ARG 23 N -2.67 0.80 -0.42 5.12 1.81 -0.78 -4.89 118.95 117.93 1wgs s ARG 23 Ca 0.64 -1.16 -0.29 0.00 -1.72 0.00 0.00 55.73 53.20 1wgs s ARG 23 Cb -0.31 -0.40 0.01 0.00 -0.45 0.00 0.00 34.95 33.80 1wgs s ARG 23 CO 0.37 0.05 1.41 -1.25 -0.68 0.00 0.00 175.30 175.20 1wgs s PRO 24 N -2.94 3.57 -0.53 3.54 0.04 -1.26 -3.46 135.00 133.95 1wgs s PRO 24 Ca 0.05 0.93 0.00 0.00 0.04 0.00 0.00 61.00 62.02 1wgs s PRO 24 Cb -0.01 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.50 1wgs s PRO 24 CO -0.01 -1.58 0.00 -0.25 0.04 0.00 0.00 177.00 175.20 1wgs n ASP 25 N 8.84 -2.15 -1.22 6.66 8.00 -1.26 -4.72 116.55 130.70 1wgs n ASP 25 Ca 0.17 0.30 0.01 0.00 0.71 0.00 0.00 54.79 55.97 1wgs n ASP 25 Cb 0.48 -2.00 0.12 0.00 -0.02 0.00 0.00 41.12 39.70 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wgs n SER 26 N -1.12 1.99 0.00 -2.24 7.64 -1.22 -5.08 113.62 113.59 1wgs n SER 26 Ca -0.07 -3.23 0.00 0.00 1.01 0.00 0.00 58.87 56.58 1wgs n SER 26 Cb 0.46 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1wgs n THR 27 N -0.59 0.00 -5.07 0.44 -2.24 -1.26 -4.51 114.28 101.05 1wgs n THR 27 Ca 0.18 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.64 1wgs n THR 27 Cb 0.86 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.95 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wgs s TRP 28 N 0.00 2.55 0.23 4.78 0.52 -1.26 -1.86 118.94 123.90 1wgs s TRP 28 Ca 0.00 -0.31 0.09 0.00 0.02 0.00 0.00 56.10 55.90 1wgs s TRP 28 Cb 0.00 -1.59 -0.05 0.00 -1.15 0.00 0.00 33.47 30.69 1wgs s TRP 28 CO 0.00 0.06 -0.17 -1.01 0.02 0.00 0.00 176.95 175.85 1wgs s HIS 29 N -0.61 1.95 0.06 -1.98 3.76 -0.96 -4.93 115.29 112.58 1wgs s HIS 29 Ca 0.09 -0.47 -0.30 0.00 -0.15 0.00 0.00 55.06 54.23 1wgs s HIS 29 Cb -0.11 -0.88 -0.05 0.00 1.11 0.00 0.00 32.58 32.65 1wgs s HIS 29 CO 0.00 0.50 0.99 -1.54 -0.85 0.00 0.00 174.74 173.84 1wgs s SER 30 N -3.33 7.41 -0.05 1.40 1.04 -1.26 -1.10 113.70 117.82 1wgs s SER 30 Ca 0.25 1.76 -0.02 0.00 0.48 0.00 0.00 55.95 58.42 1wgs s SER 30 Cb -0.03 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.55 1wgs s SER 30 CO 0.10 -0.18 0.08 0.00 0.98 0.00 0.00 173.24 174.22 1wgs s ALA 31 N 0.49 0.06 0.19 5.32 0.00 -0.07 -3.81 121.76 123.94 1wgs s ALA 31 Ca 0.50 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.50 1wgs s ALA 31 Cb -0.23 -0.53 -0.08 0.00 0.00 0.00 0.00 23.12 22.28 1wgs s ALA 31 CO 0.29 -0.36 1.06 -1.83 0.00 0.00 0.00 175.76 174.93 1wgs s GLU 32 N 1.78 4.65 -0.57 0.00 -1.05 -0.16 -1.31 118.70 122.02 1wgs s GLU 32 Ca -0.01 1.67 -0.27 0.00 -0.15 0.00 0.00 54.97 56.21 1wgs s GLU 32 Cb -0.12 -3.28 0.03 0.00 -0.44 0.00 0.00 34.13 30.32 1wgs s GLU 32 CO -0.04 0.17 1.14 0.08 0.95 0.00 0.00 175.26 177.56 1wgs s VAL 33 N -0.47 4.09 -0.01 1.83 1.01 -0.49 0.66 120.40 127.03 1wgs s VAL 33 Ca 0.47 0.78 -0.23 0.00 0.00 0.00 0.00 61.98 63.00 1wgs s VAL 33 Cb -0.29 -4.69 -0.14 0.00 0.00 0.00 0.00 36.38 31.26 1wgs s VAL 33 CO 0.35 -1.30 1.01 0.40 0.00 0.00 0.00 175.10 175.56 1wgs h ILE 34 N 6.13 0.29 -2.34 2.22 1.08 0.45 -2.63 117.51 122.71 1wgs h ILE 34 Ca -0.25 -0.54 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 1wgs h ILE 34 Cb 1.06 0.44 -0.00 0.00 -3.07 0.00 0.00 36.82 35.24 1wgs h ILE 34 CO 1.17 0.06 0.04 0.00 -0.69 0.00 0.00 178.15 178.73 1wgs n GLN 35 N -5.22 0.28 -4.20 2.37 1.13 -1.21 -4.67 117.38 105.86 1wgs n GLN 35 Ca -0.10 -0.64 -0.15 0.00 -1.94 0.00 0.00 57.00 54.17 1wgs n GLN 35 Cb 0.29 0.75 -0.11 0.00 0.11 0.00 0.00 30.24 31.28 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 -1.57 1.65 0.30 1.08 1.04 -1.26 -1.47 113.70 113.47 1wgs s SER 36 Ca 0.05 -0.84 -0.16 0.00 0.48 0.00 0.00 55.95 55.49 1wgs s SER 36 Cb -0.01 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.11 1wgs s SER 36 CO 0.04 -0.24 0.65 0.00 0.98 0.00 0.00 173.24 174.67 1wgs s ARG 37 N -2.88 1.85 0.04 4.02 1.70 -0.86 -4.96 118.95 117.86 1wgs s ARG 37 Ca 0.08 -1.25 0.04 0.00 -0.47 0.00 0.00 55.73 54.13 1wgs s ARG 37 Cb -0.03 0.56 -0.02 0.00 -0.57 0.00 0.00 34.95 34.89 1wgs s ARG 37 CO 0.01 -0.83 -0.13 0.08 -1.08 0.00 0.00 175.30 173.35 1wgs s VAL 38 N -3.45 0.99 -0.31 4.99 1.01 -1.26 -1.77 120.40 120.59 1wgs s VAL 38 Ca 0.17 -0.99 -0.08 0.00 0.00 0.00 0.00 61.98 61.08 1wgs s VAL 38 Cb -0.04 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.43 1wgs s VAL 38 CO 0.10 -0.06 0.12 0.20 0.00 0.00 0.00 175.10 175.46 1wgs s ASN 39 N -1.19 5.35 0.08 3.32 -0.87 0.82 -4.94 114.94 117.50 1wgs s ASN 39 Ca -0.00 -0.66 -0.02 0.00 -1.57 0.00 0.00 52.86 50.61 1wgs s ASN 39 Cb -0.08 -1.94 -0.27 0.00 -0.02 0.00 0.00 41.25 38.94 1wgs s ASN 39 CO 0.01 -0.21 1.16 -0.78 -2.57 0.00 0.00 177.10 174.72 1wgs h ASP 40 N 8.30 0.34 0.79 -1.22 1.82 -1.96 0.47 116.42 124.96 1wgs h ASP 40 Ca -0.31 -0.37 -0.04 0.00 -0.39 0.00 0.00 57.03 55.92 1wgs h ASP 40 Cb 1.13 -0.11 0.01 0.00 0.68 0.00 0.00 39.33 41.04 1wgs h ASP 40 CO 0.61 1.29 -0.38 1.56 -1.61 0.00 0.00 179.24 180.71 1wgs h GLN 41 N 0.06 -1.02 0.10 0.28 4.20 -1.97 -3.29 115.11 113.47 1wgs h GLN 41 Ca -0.11 0.07 -0.23 0.00 0.06 0.00 0.00 58.65 58.44 1wgs h GLN 41 Cb 1.93 0.23 0.02 0.00 0.30 0.00 0.00 27.48 29.97 1wgs h GLN 41 CO 0.19 -0.67 -0.95 0.93 -0.67 0.00 0.00 178.83 177.66 1wgs h GLU 42 N -1.16 0.47 -0.83 1.46 4.39 -2.00 -3.48 114.58 113.43 1wgs h GLU 42 Ca -0.11 -0.64 0.00 0.00 0.34 0.00 0.00 59.36 58.95 1wgs h GLU 42 Cb 0.83 0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 1wgs h GLU 42 CO 0.18 1.27 0.00 0.41 -1.16 0.00 0.00 179.01 179.71 1wgs n GLY 43 N 1.39 0.55 3.32 -3.84 0.00 0.16 -5.09 105.19 101.68 1wgs n GLY 43 Ca -0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.38 1.16 0.44 1.61 1.70 -0.87 -4.97 118.95 116.64 1wgs s ARG 44 Ca 0.00 -1.26 -0.01 0.00 -0.47 0.00 0.00 55.73 54.00 1wgs s ARG 44 Cb 0.00 0.36 -0.01 0.00 -0.57 0.00 0.00 34.95 34.72 1wgs s ARG 44 CO 0.00 -0.41 0.67 -1.21 -1.08 0.00 0.00 175.30 173.26 1wgs s GLU 45 N -4.00 3.20 0.20 3.89 2.02 -1.26 -0.13 118.70 122.62 1wgs s GLU 45 Ca 0.20 -0.36 -0.18 0.00 0.02 0.00 0.00 54.97 54.66 1wgs s GLU 45 Cb 0.04 -2.55 0.03 0.00 0.10 0.00 0.00 34.13 31.75 1wgs s GLU 45 CO 0.02 -0.19 0.53 -1.21 0.02 0.00 0.00 175.26 174.43 1wgs s GLU 46 N -4.54 1.39 -0.12 1.61 2.02 -0.73 -4.54 118.70 113.78 1wgs s GLU 46 Ca 0.47 -0.85 -0.05 0.00 0.02 0.00 0.00 54.97 54.56 1wgs s GLU 46 Cb -0.10 0.53 0.06 0.00 0.10 0.00 0.00 34.13 34.72 1wgs s GLU 46 CO 0.39 -0.59 0.27 -0.06 0.02 0.00 0.00 175.26 175.28 1wgs s PHE 47 N -3.87 -0.41 -0.84 1.61 0.08 0.29 -2.03 117.98 112.81 1wgs s PHE 47 Ca 0.09 0.94 -0.25 0.00 0.12 0.00 0.00 56.93 57.83 1wgs s PHE 47 Cb -0.01 0.01 -0.01 0.00 -0.57 0.00 0.00 43.02 42.44 1wgs s PHE 47 CO -0.03 -0.32 1.74 -0.47 -0.10 0.00 0.00 175.22 176.04 1wgs s TYR 48 N 2.03 1.99 -0.15 0.36 5.04 -0.54 -0.94 117.35 125.14 1wgs s TYR 48 Ca -0.03 0.27 -0.13 0.00 -2.44 0.00 0.00 57.07 54.74 1wgs s TYR 48 Cb -0.11 -4.27 -0.05 0.00 0.35 0.00 0.00 41.96 37.88 1wgs s TYR 48 CO -0.09 -1.97 0.29 0.14 -1.34 0.00 0.00 175.55 172.58 1wgs s VAL 49 N 8.20 5.30 -0.24 3.14 -7.23 -1.16 0.11 120.40 128.51 1wgs s VAL 49 Ca 0.60 0.54 -0.09 0.00 -1.81 0.00 0.00 61.98 61.21 1wgs s VAL 49 Cb -0.07 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1wgs s VAL 49 CO 0.04 0.42 0.13 -2.28 -0.31 0.00 0.00 175.10 173.11 1wgs s HIS 50 N 0.23 3.23 -1.00 2.82 2.46 0.21 -2.96 115.29 120.29 1wgs s HIS 50 Ca 0.17 0.04 -0.23 0.00 0.47 0.00 0.00 55.06 55.51 1wgs s HIS 50 Cb -0.13 -2.26 0.04 0.00 -0.13 0.00 0.00 32.58 30.10 1wgs s HIS 50 CO 0.04 -0.06 1.50 0.71 -2.47 0.00 0.00 174.74 174.46 1wgs s TYR 51 N 1.22 2.44 -0.88 3.88 2.02 -1.26 -0.99 117.35 123.78 1wgs s TYR 51 Ca 0.06 -0.65 0.11 0.00 -0.37 0.00 0.00 57.07 56.22 1wgs s TYR 51 Cb -0.14 -4.63 0.49 0.00 -0.40 0.00 0.00 41.96 37.28 1wgs s TYR 51 CO 0.05 -1.93 1.35 1.33 -1.57 0.00 0.00 175.55 174.78 1wgs n VAL 52 N 6.98 1.34 0.12 0.71 0.24 -1.25 -0.80 118.33 125.67 1wgs n VAL 52 Ca 0.33 0.38 0.11 0.00 -2.04 0.00 0.00 64.34 63.12 1wgs n VAL 52 Cb 0.51 -1.26 -0.00 0.00 -1.47 0.00 0.00 33.84 31.62 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 -0.64 -1.44 0.67 7.63 0.00 -1.26 -4.95 105.19 105.21 1wgs n GLY 53 Ca 0.02 -0.25 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.62 0.20 -0.03 1.61 3.01 0.02 -5.14 117.46 114.50 1wgs n PHE 54 Ca -0.00 -0.47 -0.04 0.00 1.01 0.00 0.00 57.45 57.95 1wgs n PHE 54 Cb 0.55 -0.06 0.04 0.00 -0.01 0.00 0.00 39.48 40.00 1wgs n PHE 54 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1wgs n ASN 55 N -1.14 -2.24 0.04 4.37 4.13 -1.26 -4.83 115.26 114.32 1wgs n ASN 55 Ca -0.04 -0.12 0.11 0.00 1.68 0.00 0.00 54.58 56.22 1wgs n ASN 55 Cb 0.12 -0.14 0.00 0.00 -1.54 0.00 0.00 39.78 38.22 1wgs n ASN 55 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 1wgs n ARG 56 N -2.44 0.38 0.10 3.52 0.63 -1.26 -3.99 116.66 113.59 1wgs n ARG 56 Ca 0.02 0.00 -0.06 0.00 -0.92 0.00 0.00 57.85 56.89 1wgs n ARG 56 Cb 0.08 -1.63 0.05 0.00 0.45 0.00 0.00 32.46 31.42 1wgs n ARG 56 CO 0.00 0.00 0.00 0.07 -2.51 0.00 0.00 177.63 175.19 1wgs h ARG 57 N 0.00 0.12 -0.97 -0.14 0.11 -1.96 -3.11 114.38 108.43 1wgs h ARG 57 Ca 0.00 -0.12 0.14 0.00 0.10 0.00 0.00 59.98 60.10 1wgs h ARG 57 Cb 0.80 0.03 -0.09 0.00 1.11 0.00 0.00 29.97 31.82 1wgs h ARG 57 CO 0.00 0.83 0.59 -0.07 0.10 0.00 0.00 179.97 181.42 1wgs h LEU 58 N 0.08 0.83 -9.00 0.08 -0.00 -1.93 -3.41 115.31 101.96 1wgs h LEU 58 Ca -0.02 0.06 -0.81 0.00 -0.00 0.00 0.00 57.88 57.11 1wgs h LEU 58 Cb 1.34 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.92 1wgs h LEU 58 CO 0.11 0.40 0.82 0.47 -0.00 0.00 0.00 178.44 180.25 1wgs n ASP 59 N -4.69 1.69 -3.66 -0.43 8.00 -1.18 -4.84 116.55 111.44 1wgs n ASP 59 Ca 0.19 1.10 -0.10 0.00 0.71 0.00 0.00 54.79 56.69 1wgs n ASP 59 Cb 0.41 -0.99 -0.05 0.00 -0.02 0.00 0.00 41.12 40.46 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 3.44 1.03 -0.23 -1.24 -1.05 -1.16 -5.02 118.70 114.49 1wgs s GLU 60 Ca 1.03 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 54.86 1wgs s GLU 60 Cb -1.31 0.45 -0.02 0.00 -0.44 0.00 0.00 34.13 32.81 1wgs s GLU 60 CO 0.74 -0.39 1.57 -1.58 0.95 0.00 0.00 175.26 176.54 1wgs s TRP 61 N -3.69 2.19 0.30 4.83 0.52 -1.26 -3.01 118.94 118.82 1wgs s TRP 61 Ca 0.02 0.59 0.08 0.00 0.02 0.00 0.00 56.10 56.81 1wgs s TRP 61 Cb 0.02 -3.97 -0.03 0.00 -1.15 0.00 0.00 33.47 28.34 1wgs s TRP 61 CO -0.11 -2.76 0.21 0.14 0.02 0.00 0.00 176.95 174.45 1wgs s VAL 62 N 5.05 3.83 0.25 4.03 -7.23 -0.12 -4.83 120.40 121.39 1wgs s VAL 62 Ca 0.69 -1.47 0.07 0.00 -1.81 0.00 0.00 61.98 59.46 1wgs s VAL 62 Cb -0.24 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.45 1wgs s VAL 62 CO 0.28 -0.27 0.14 -1.81 -0.31 0.00 0.00 175.10 173.14 1wgs s ASP 63 N -3.89 5.27 0.58 4.85 1.11 -1.26 0.10 116.67 123.44 1wgs s ASP 63 Ca 0.36 -0.34 0.30 0.00 0.18 0.00 0.00 52.55 53.05 1wgs s ASP 63 Cb -0.06 -1.26 1.41 0.00 1.07 0.00 0.00 42.92 44.07 1wgs s ASP 63 CO 0.25 -0.02 1.79 0.11 1.18 0.00 0.00 175.17 178.49 1wgs h LYS 64 N 1.69 0.00 -0.09 8.23 1.57 -1.92 0.64 116.57 126.69 1wgs h LYS 64 Ca -0.47 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.25 1wgs h LYS 64 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.55 1wgs h LYS 64 CO 0.61 0.00 -0.15 -0.91 -0.57 0.00 0.00 179.45 178.43 1wgs h ASN 65 N 0.00 0.28 0.42 0.86 4.21 -1.95 -2.89 115.58 116.52 1wgs h ASN 65 Ca 0.31 -0.54 -0.01 0.00 1.21 0.00 0.00 56.30 57.27 1wgs h ASN 65 Cb 1.61 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.73 1wgs h ASN 65 CO -0.00 0.77 -0.03 0.03 -1.29 0.00 0.00 177.43 176.92 1wgs h ARG 66 N -0.20 0.00 -7.06 0.81 3.08 -0.17 -3.43 114.38 107.42 1wgs h ARG 66 Ca 0.01 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.60 1wgs h ARG 66 Cb 0.72 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.84 1wgs h ARG 66 CO 0.03 0.03 0.08 -0.51 -1.07 0.00 0.00 179.97 178.53 1wgs s LEU 67 N -6.43 3.05 -0.28 3.04 1.43 -0.31 0.25 118.68 119.43 1wgs s LEU 67 Ca -0.02 -0.16 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1wgs s LEU 67 Cb 0.12 -2.37 0.07 0.00 0.03 0.00 0.00 46.19 44.04 1wgs s LEU 67 CO 0.49 -1.63 -0.06 0.00 0.23 0.00 0.00 176.35 175.38 1wgs s ALA 68 N -3.05 2.62 -0.41 4.21 0.00 -0.37 -4.70 121.76 120.06 1wgs s ALA 68 Ca 0.63 -1.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.60 1wgs s ALA 68 Cb -0.07 -1.69 0.11 0.00 0.00 0.00 0.00 23.12 21.47 1wgs s ALA 68 CO 0.43 -1.34 0.20 -0.51 0.00 0.00 0.00 175.76 174.53 1wgs s LEU 69 N 1.07 5.24 0.23 0.00 1.43 -1.26 -4.59 118.68 120.79 1wgs s LEU 69 Ca -0.03 -2.03 0.00 0.00 -1.03 0.00 0.00 54.13 51.04 1wgs s LEU 69 Cb -0.20 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1wgs s LEU 69 CO -0.06 -0.54 0.00 0.41 0.23 0.00 0.00 176.35 176.39 1wgs n THR 70 N 4.59 -0.34 -2.10 5.49 -1.04 -1.26 -4.40 114.28 115.22 1wgs n THR 70 Ca -0.02 0.35 -0.32 0.00 -2.04 0.00 0.00 64.05 62.02 1wgs n THR 70 Cb 0.41 -0.53 -0.05 0.00 -1.82 0.00 0.00 70.33 68.34 1wgs n THR 70 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 1wgs n LYS 71 N -2.89 1.93 0.02 -2.82 2.85 -1.26 -3.53 118.16 112.46 1wgs n LYS 71 Ca -0.04 -2.59 0.00 0.00 -1.05 0.00 0.00 58.31 54.63 1wgs n LYS 71 Cb 0.26 -3.62 0.00 0.00 -0.65 0.00 0.00 35.03 31.01 1wgs n LYS 71 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 1wgs n THR 72 N 7.36 0.00 0.00 0.58 -1.04 -1.26 -5.01 114.28 114.90 1wgs n THR 72 Ca 0.46 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.47 1wgs n THR 72 Cb 0.46 -0.11 0.00 0.00 -1.82 0.00 0.00 70.33 68.86 1wgs n THR 72 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1wgs n VAL 73 N -2.59 0.00 -0.76 12.58 0.31 -1.23 -4.82 118.33 121.82 1wgs n VAL 73 Ca 0.00 0.75 -0.32 0.00 -0.01 0.00 0.00 64.34 64.76 1wgs n VAL 73 Cb 0.00 -1.48 0.16 0.00 -0.91 0.00 0.00 33.84 31.61 1wgs n VAL 73 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 1wgs n LYS 74 N -1.14 -0.34 -0.02 5.55 -0.00 -1.26 -5.00 118.16 115.95 1wgs n LYS 74 Ca 0.00 -0.03 -0.01 0.00 -0.00 0.00 0.00 58.31 58.26 1wgs n LYS 74 Cb 0.00 -2.32 -0.00 0.00 -0.00 0.00 0.00 35.03 32.71 1wgs n LYS 74 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1wgs n ASP 75 N -3.72 0.41 0.00 -5.58 8.00 -1.26 -4.95 116.55 109.45 1wgs n ASP 75 Ca 0.12 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.87 1wgs n ASP 75 Cb 0.52 -0.57 0.00 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.67 0.00 -0.81 2.24 0.00 -1.26 -4.65 120.51 113.36 1wgs n ALA 76 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.18 1wgs n ALA 76 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.51 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 0.00 2.66 -2.66 0.00 0.24 -1.26 -3.96 118.33 113.35 1wgs n VAL 77 Ca 0.00 -1.59 -0.04 0.00 -2.04 0.00 0.00 64.34 60.67 1wgs n VAL 77 Cb 0.00 -2.19 0.07 0.00 -1.47 0.00 0.00 33.84 30.25 1wgs n VAL 77 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgs n GLN 78 N 4.14 0.09 -4.22 7.34 1.13 -1.26 -5.17 117.38 119.42 1wgs n GLN 78 Ca 0.49 -0.65 -0.24 0.00 -1.94 0.00 0.00 57.00 54.65 1wgs n GLN 78 Cb 0.14 -0.09 -0.07 0.00 0.11 0.00 0.00 30.24 30.33 1wgs n GLN 78 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 1wgs s LYS 79 N 0.25 2.48 0.02 -1.09 2.20 -1.25 -5.04 119.74 117.30 1wgs s LYS 79 Ca 0.25 -1.23 0.00 0.00 -0.36 0.00 0.00 55.97 54.64 1wgs s LYS 79 Cb 0.19 -2.32 0.00 0.00 -1.51 0.00 0.00 37.83 34.19 1wgs s LYS 79 CO -0.08 0.40 0.00 -1.71 -0.36 0.00 0.00 175.35 173.60 1wgs n ASN 80 N -0.69 0.23 0.00 1.43 5.15 -1.26 -5.01 115.26 115.11 1wgs n ASN 80 Ca -0.08 0.04 0.00 0.00 -0.60 0.00 0.00 54.58 53.94 1wgs n ASN 80 Cb 0.57 -0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 1wgs n ASN 80 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1wgs n SER 81 N -3.09 0.00 -3.61 1.20 2.88 -1.26 -4.65 113.62 105.09 1wgs n SER 81 Ca 0.00 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.50 1wgs n SER 81 Cb 0.37 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.80 1wgs n SER 81 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1wgs s GLU 82 N 0.00 0.24 0.61 -1.46 -1.05 -1.26 -5.15 118.70 110.64 1wgs s GLU 82 Ca 0.00 -0.07 -0.18 0.00 -0.15 0.00 0.00 54.97 54.56 1wgs s GLU 82 Cb 0.00 0.11 -0.04 0.00 -0.44 0.00 0.00 34.13 33.76 1wgs s GLU 82 CO 0.00 -0.10 1.01 0.36 0.95 0.00 0.00 175.26 177.47 1wgs n LYS 83 N 0.01 0.91 -3.57 -4.83 2.85 -1.26 -5.01 118.16 107.26 1wgs n LYS 83 Ca 0.01 0.36 -0.08 0.00 -1.05 0.00 0.00 58.31 57.55 1wgs n LYS 83 Cb 0.58 -2.22 -0.04 0.00 -0.65 0.00 0.00 35.03 32.70 1wgs n LYS 83 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1wgs s TYR 84 N -1.50 -0.27 0.00 5.58 5.04 -1.26 -5.02 117.35 119.91 1wgs s TYR 84 Ca 0.77 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1wgs s TYR 84 Cb -0.41 0.49 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1wgs s TYR 84 CO 0.46 -0.33 0.00 -0.11 -1.34 0.00 0.00 175.55 174.23 1wgs n LEU 85 N 0.29 0.00 -3.67 6.97 7.94 -1.26 -4.30 117.00 122.97 1wgs n LEU 85 Ca -0.06 0.00 -0.09 0.00 -1.11 0.00 0.00 56.01 54.75 1wgs n LEU 85 Cb 0.59 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 44.44 1wgs n LEU 85 CO 0.12 0.00 0.05 -0.94 -1.11 0.00 0.00 177.39 175.51 1wgs s SER 86 N -2.37 -0.37 -0.10 1.96 1.04 -1.26 -5.16 113.70 107.45 1wgs s SER 86 Ca 0.00 1.00 -0.32 0.00 0.48 0.00 0.00 55.95 57.11 1wgs s SER 86 Cb 0.00 1.24 0.12 0.00 0.10 0.00 0.00 66.02 67.48 1wgs s SER 86 CO 0.00 -0.22 1.08 -0.70 0.98 0.00 0.00 173.24 174.38 1wgs s GLU 87 N 2.29 0.54 0.99 4.02 2.56 -1.26 -5.11 118.70 122.74 1wgs s GLU 87 Ca -0.04 -0.21 -0.17 0.00 0.00 0.00 0.00 54.97 54.55 1wgs s GLU 87 Cb -0.11 0.24 -0.12 0.00 2.00 0.00 0.00 34.13 36.14 1wgs s GLU 87 CO -0.13 -0.24 -0.65 1.47 -0.56 0.00 0.00 175.26 175.15 1wgs n LEU 88 N -0.18 -4.89 0.00 2.70 -0.00 -1.26 -4.98 117.00 108.39 1wgs n LEU 88 Ca -0.04 0.19 0.00 0.00 -0.00 0.00 0.00 56.01 56.16 1wgs n LEU 88 Cb 0.60 -0.82 0.00 0.00 -0.00 0.00 0.00 43.42 43.20 1wgs n LEU 88 CO 0.10 -5.41 0.13 0.00 -0.00 0.00 0.00 177.39 172.20 1wgs n ALA 89 N -2.76 -0.41 -2.83 1.47 0.00 -1.26 -5.02 120.51 109.70 1wgs n ALA 89 Ca -0.01 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1wgs n ALA 89 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 19.45 20.05 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 -0.11 2.41 -4.10 0.00 2.13 -1.26 -5.16 120.64 114.55 1wgs n GLU 90 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.74 1wgs n GLU 90 Cb 0.07 0.00 -0.10 0.00 0.27 0.00 0.00 31.44 31.68 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 0.26 0.63 0.21 5.31 -0.21 -1.26 -5.14 119.66 119.46 1wgs s GLN 91 Ca 0.00 -1.15 -0.30 0.00 0.02 0.00 0.00 55.36 53.93 1wgs s GLN 91 Cb 0.00 0.05 -0.08 0.00 1.00 0.00 0.00 33.01 33.98 1wgs s GLN 91 CO 0.00 -0.07 1.11 -1.25 -2.12 0.00 0.00 175.29 172.96 1wgs s PRO 92 N -3.46 4.60 0.64 2.91 0.04 -1.26 -5.03 135.00 133.43 1wgs s PRO 92 Ca 0.05 1.75 -0.10 0.00 0.04 0.00 0.00 61.00 62.73 1wgs s PRO 92 Cb 0.04 -3.25 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 1wgs s PRO 92 CO -0.07 0.10 1.03 -1.83 0.04 0.00 0.00 177.00 176.27 1wgs s GLU 93 N -0.65 3.29 0.49 4.56 1.03 -1.26 -5.08 118.70 121.09 1wgs s GLU 93 Ca 0.48 0.56 0.00 0.00 0.03 0.00 0.00 54.97 56.04 1wgs s GLU 93 Cb -0.30 -2.09 0.01 0.00 -0.80 0.00 0.00 34.13 30.94 1wgs s GLU 93 CO 0.37 -0.72 0.72 -0.98 -1.33 0.00 0.00 175.26 173.32 1wgs s ARG 94 N -5.20 2.89 0.07 -4.83 1.70 -1.26 -5.11 118.95 107.20 1wgs s ARG 94 Ca 0.55 -0.55 0.07 0.00 -0.47 0.00 0.00 55.73 55.33 1wgs s ARG 94 Cb -0.11 -2.52 -0.04 0.00 -0.57 0.00 0.00 34.95 31.72 1wgs s ARG 94 CO 0.52 -0.44 -0.16 0.21 -1.08 0.00 0.00 175.30 174.35 1wgs s LYS 95 N -4.65 2.06 1.21 3.89 2.20 -1.26 -5.12 119.74 118.07 1wgs s LYS 95 Ca 0.52 -1.01 -0.13 0.00 -0.36 0.00 0.00 55.97 54.98 1wgs s LYS 95 Cb -0.10 -2.22 0.31 0.00 -1.51 0.00 0.00 37.83 34.31 1wgs s LYS 95 CO 0.38 0.53 1.01 -1.50 -0.36 0.00 0.00 175.35 175.41 1wgs s ILE 96 N -1.03 1.97 0.10 5.43 2.07 -1.26 -5.05 121.20 123.43 1wgs s ILE 96 Ca 0.17 0.00 0.06 0.00 -1.41 0.00 0.00 60.65 59.46 1wgs s ILE 96 Cb -0.11 -2.03 -0.03 0.00 0.13 0.00 0.00 42.46 40.42 1wgs s ILE 96 CO 0.08 0.00 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.07 1wgs s THR 97 N -2.41 1.28 0.29 4.00 2.01 -1.26 -5.16 115.64 114.39 1wgs s THR 97 Ca 0.69 -1.56 0.09 0.00 0.31 0.00 0.00 61.69 61.21 1wgs s THR 97 Cb -0.25 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.84 1wgs s THR 97 CO 0.65 -0.33 0.08 0.00 -0.69 0.00 0.00 174.62 174.33 1wgs s ARG 98 N -2.31 2.40 0.31 4.92 1.70 -1.26 -5.14 118.95 119.56 1wgs s ARG 98 Ca 0.05 -1.43 0.05 0.00 -0.47 0.00 0.00 55.73 53.93 1wgs s ARG 98 Cb -0.07 -2.21 -0.06 0.00 -0.57 0.00 0.00 34.95 32.04 1wgs s ARG 98 CO 0.03 0.27 0.00 -0.80 -1.08 0.00 0.00 175.30 173.72 1wgs s ASN 99 N -3.76 2.62 0.34 -2.89 -0.87 -1.26 -5.17 114.94 103.96 1wgs s ASN 99 Ca 0.34 -1.29 0.04 0.00 -1.57 0.00 0.00 52.86 50.38 1wgs s ASN 99 Cb -0.05 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.25 40.98 1wgs s ASN 99 CO 0.22 -0.48 0.06 -1.58 -2.57 0.00 0.00 177.10 172.75 1wgs s GLN 100 N -3.81 1.71 0.44 -0.60 0.74 -1.26 -5.17 119.66 111.72 1wgs s GLN 100 Ca 0.33 -1.97 0.03 0.00 0.05 0.00 0.00 55.36 53.80 1wgs s GLN 100 Cb 0.07 -0.89 -0.03 0.00 1.10 0.00 0.00 33.01 33.26 1wgs s GLN 100 CO 0.14 -0.22 0.06 -1.59 -0.55 0.00 0.00 175.29 173.12 1wgs s LYS 101 N -3.86 2.01 0.03 1.67 -2.85 -1.26 -5.17 119.74 110.31 1wgs s LYS 101 Ca 0.34 -2.23 -0.02 0.00 -1.00 0.00 0.00 55.97 53.06 1wgs s LYS 101 Cb 0.08 -1.12 -0.02 0.00 -2.06 0.00 0.00 37.83 34.71 1wgs s LYS 101 CO 0.15 -0.35 0.01 0.50 0.10 0.00 0.00 175.35 175.76 1wgs s ARG 102 N -3.80 0.45 0.22 1.78 3.00 -1.26 -5.17 118.95 114.17 1wgs s ARG 102 Ca 0.19 -0.75 0.06 0.00 -1.00 0.00 0.00 55.73 54.23 1wgs s ARG 102 Cb 0.04 0.17 -0.05 0.00 0.00 0.00 0.00 34.95 35.10 1wgs s ARG 102 CO 0.10 -0.09 -0.08 -1.59 0.00 0.00 0.00 175.30 173.65 1wgs s LYS 103 N -2.22 1.33 0.43 5.12 -2.85 -1.26 -5.17 119.74 115.12 1wgs s LYS 103 Ca -0.09 -1.63 0.04 0.00 -1.00 0.00 0.00 55.97 53.29 1wgs s LYS 103 Cb -0.04 -0.90 -0.04 0.00 -2.06 0.00 0.00 37.83 34.79 1wgs s LYS 103 CO -0.03 0.05 0.04 -3.38 0.10 0.00 0.00 175.35 172.13 1wgs s HIS 104 N -3.17 2.03 -0.06 1.78 -3.43 -1.26 -5.15 115.29 106.03 1wgs s HIS 104 Ca 0.25 -0.96 0.01 0.00 -0.80 0.00 0.00 55.06 53.55 1wgs s HIS 104 Cb 0.03 -1.49 0.02 0.00 -1.43 0.00 0.00 32.58 29.71 1wgs s HIS 104 CO 0.07 0.12 -0.05 -0.51 -2.00 0.00 0.00 174.74 172.38 1wgs s ASP 105 N -3.70 1.29 0.13 7.38 1.11 -1.26 -5.11 116.67 116.51 1wgs s ASP 105 Ca 0.23 -0.15 -0.33 0.00 0.18 0.00 0.00 52.55 52.47 1wgs s ASP 105 Cb 0.05 -0.53 -0.17 0.00 1.07 0.00 0.00 42.92 43.34 1wgs s ASP 105 CO 0.12 -0.08 0.89 -1.84 1.18 0.00 0.00 175.17 175.43 1wgs n GLU 106 N 4.34 0.37 -0.96 8.23 0.28 -1.26 -4.90 120.64 126.73 1wgs n GLU 106 Ca -0.20 0.13 -0.28 0.00 -0.16 0.00 0.00 57.16 56.65 1wgs n GLU 106 Cb 0.51 -1.44 0.21 0.00 1.43 0.00 0.00 31.44 32.14 1wgs n GLU 106 CO 0.00 0.00 0.00 0.96 -0.16 0.00 0.00 177.13 177.93 1wgs s ILE 107 N -0.47 1.99 -0.14 3.84 -0.00 -1.26 -5.07 121.20 120.09 1wgs s ILE 107 Ca 0.75 0.00 -0.30 0.00 -0.00 0.00 0.00 60.65 61.10 1wgs s ILE 107 Cb -1.01 -2.35 0.13 0.00 -0.00 0.00 0.00 42.46 39.23 1wgs s ILE 107 CO 0.55 0.00 1.00 0.20 -0.00 0.00 0.00 174.94 176.70 1wgs s ASN 108 N -3.16 -0.34 -0.28 4.36 0.01 -1.26 -5.17 114.94 109.09 1wgs s ASN 108 Ca 0.67 0.30 -0.19 0.00 -0.71 0.00 0.00 52.86 52.93 1wgs s ASN 108 Cb -0.21 0.30 0.12 0.00 0.41 0.00 0.00 41.25 41.87 1wgs s ASN 108 CO 0.60 -0.37 0.92 -2.28 -1.51 0.00 0.00 177.10 174.46 1wgs s HIS 109 N -1.50 -0.66 0.27 2.20 2.46 -1.26 -5.18 115.29 111.63 1wgs s HIS 109 Ca 0.00 1.40 0.10 0.00 0.47 0.00 0.00 55.06 57.03 1wgs s HIS 109 Cb -0.01 0.40 -0.04 0.00 -0.13 0.00 0.00 32.58 32.80 1wgs s HIS 109 CO -0.01 -0.32 -0.03 0.14 -2.47 0.00 0.00 174.74 172.05 1wgs s VAL 110 N 1.05 3.29 -0.09 0.89 -7.23 -1.26 -5.13 120.40 111.92 1wgs s VAL 110 Ca -0.05 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 1wgs s VAL 110 Cb -0.04 -2.78 0.05 0.00 0.56 0.00 0.00 36.38 34.17 1wgs s VAL 110 CO -0.13 -0.37 0.19 -1.58 -0.31 0.00 0.00 175.10 172.90 1wgs s GLN 111 N -3.66 0.08 1.03 4.82 2.00 -1.26 -5.15 119.66 117.53 1wgs s GLN 111 Ca 0.31 0.56 -0.22 0.00 -2.00 0.00 0.00 55.36 54.02 1wgs s GLN 111 Cb -0.06 -0.19 -0.08 0.00 0.80 0.00 0.00 33.01 33.48 1wgs s GLN 111 CO 0.19 -0.27 -0.78 1.17 -0.50 0.00 0.00 175.29 175.11 1wgs n LYS 112 N 5.04 -0.53 -0.55 1.67 4.81 -1.26 -5.02 118.16 122.32 1wgs n LYS 112 Ca -0.11 -0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.19 1wgs n LYS 112 Cb 0.50 -1.30 0.00 0.00 0.02 0.00 0.00 35.03 34.26 1wgs n LYS 112 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1wgs n THR 113 N -3.64 0.00 -3.81 3.15 -2.24 -1.26 -5.17 114.28 101.30 1wgs n THR 113 Ca -0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1wgs n THR 113 Cb 0.67 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 1wgs n THR 113 CO 0.00 0.00 0.00 -0.72 -0.57 0.00 0.00 175.07 173.78 1wgs s TYR 114 N 0.61 -0.04 -0.06 4.78 -0.85 -1.26 -5.19 117.35 115.34 1wgs s TYR 114 Ca 0.00 -0.38 -0.31 0.00 -0.52 0.00 0.00 57.07 55.87 1wgs s TYR 114 Cb 0.00 0.70 0.12 0.00 0.38 0.00 0.00 41.96 43.16 1wgs s TYR 114 CO 0.00 -1.03 1.36 0.00 -1.52 0.00 0.00 175.55 174.37 1wgs s ALA 115 N -2.88 -2.54 -0.23 9.51 0.00 -1.26 -5.14 121.76 119.22 1wgs s ALA 115 Ca 0.15 0.49 -0.09 0.00 0.00 0.00 0.00 51.96 52.52 1wgs s ALA 115 Cb -0.03 0.60 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 1wgs s ALA 115 CO 0.05 -1.11 0.11 -1.21 0.00 0.00 0.00 175.76 173.60 1wgs s GLU 116 N -2.08 3.92 -0.47 0.00 2.02 -1.26 -5.06 118.70 115.77 1wgs s GLU 116 Ca 0.23 -0.35 -0.08 0.00 0.02 0.00 0.00 54.97 54.79 1wgs s GLU 116 Cb 0.03 -3.39 0.12 0.00 0.10 0.00 0.00 34.13 30.99 1wgs s GLU 116 CO -0.04 0.04 0.33 -1.64 0.02 0.00 0.00 175.26 173.97 1wgs s MET 117 N 1.05 2.40 0.00 1.61 -1.94 -1.26 -4.98 119.30 116.18 1wgs s MET 117 Ca 0.06 -1.80 0.00 0.00 -1.71 0.00 0.00 55.69 52.24 1wgs s MET 117 Cb -0.14 -3.87 0.00 0.00 2.01 0.00 0.00 34.83 32.84 1wgs s MET 117 CO 0.04 -1.17 0.00 -0.40 -0.01 0.00 0.00 175.02 173.47 1wgs n ASP 118 N 4.81 0.00 0.08 3.03 5.68 -1.26 -5.09 116.55 123.81 1wgs n ASP 118 Ca -0.06 0.00 -0.04 0.00 -0.50 0.00 0.00 54.79 54.19 1wgs n ASP 118 Cb 0.41 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.37 1wgs n ASP 118 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1wgs h PRO 119 N 0.00 -0.26 0.00 0.11 0.13 -2.08 -3.49 132.00 126.40 1wgs h PRO 119 Ca 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.15 1wgs h PRO 119 Cb 0.00 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.19 1wgs h PRO 119 CO 0.00 -0.17 0.00 0.25 -0.23 0.00 0.00 178.00 177.85 1wgs n THR 120 N -4.40 0.00 -3.51 1.56 -2.24 -1.26 -5.19 114.28 99.24 1wgs n THR 120 Ca -0.03 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 1wgs n THR 120 Cb 0.11 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.30 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 -2.22 0.00 -0.04 4.28 -1.32 -1.26 -5.18 115.64 109.90 1wgs s THR 121 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1wgs s THR 121 Cb 0.00 -1.00 0.12 0.00 -1.51 0.00 0.00 72.50 70.11 1wgs s THR 121 CO 0.00 0.00 1.32 0.00 -2.21 0.00 0.00 174.62 173.73 1wgs s ALA 122 N -2.26 -2.39 0.36 11.08 0.00 -1.26 -5.18 121.76 122.11 1wgs s ALA 122 Ca -0.01 0.52 0.05 0.00 0.00 0.00 0.00 51.96 52.52 1wgs s ALA 122 Cb -0.01 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.69 1wgs s ALA 122 CO -0.03 -1.09 0.44 0.00 0.00 0.00 0.00 175.76 175.08 1wgs n ALA 123 N -0.64 0.71 -1.28 0.00 0.00 -1.26 -5.13 120.51 112.92 1wgs n ALA 123 Ca -0.04 -1.33 0.00 0.00 0.00 0.00 0.00 53.44 52.07 1wgs n ALA 123 Cb 0.62 0.41 0.00 0.00 0.00 0.00 0.00 19.45 20.48 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 -5.12 117.00 110.62 1wgs n LEU 124 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.08 1wgs n LEU 124 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.80 1wgs n LEU 124 CO 0.24 0.00 0.00 1.21 -0.00 0.00 0.00 177.39 178.84 1wgs n GLU 125 N 0.00 0.00 -2.71 1.47 4.07 -1.26 -5.16 120.64 117.05 1wgs n GLU 125 Ca 0.00 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.77 1wgs n GLU 125 Cb 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.32 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 0.00 4.13 -0.02 5.31 2.20 -1.26 -5.07 119.74 125.03 1wgs s LYS 126 Ca 0.00 1.04 -0.21 0.00 -0.36 0.00 0.00 55.97 56.44 1wgs s LYS 126 Cb 0.00 -2.18 0.04 0.00 -1.51 0.00 0.00 37.83 34.18 1wgs s LYS 126 CO 0.00 -0.09 0.45 -1.83 -0.36 0.00 0.00 175.35 173.52 1wgs s GLU 127 N -3.44 0.82 -0.08 4.03 -1.05 -1.26 -5.17 118.70 112.56 1wgs s GLU 127 Ca 0.61 -0.04 -0.30 0.00 -0.15 0.00 0.00 54.97 55.09 1wgs s GLU 127 Cb -0.09 0.38 0.11 0.00 -0.44 0.00 0.00 34.13 34.08 1wgs s GLU 127 CO 0.19 -0.24 0.93 -1.54 0.95 0.00 0.00 175.26 175.54 1wgs s SER 128 N -1.32 -0.38 0.00 0.83 1.04 -1.26 -5.15 113.70 107.46 1wgs s SER 128 Ca -0.12 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.51 1wgs s SER 128 Cb -0.03 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.44 1wgs s SER 128 CO 0.06 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.39 1wgs n GLY 129 N 0.22 -0.32 1.29 7.32 0.00 -1.26 -5.18 105.19 107.26 1wgs n GLY 129 Ca -0.10 0.79 -0.10 0.00 0.00 0.00 0.00 46.02 46.61 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 -1.09 -4.21 1.61 -0.04 -1.26 -5.11 135.00 124.90 1wgs n PRO 130 Ca 0.00 -0.67 -0.13 0.00 -0.04 0.00 0.00 63.50 62.67 1wgs n PRO 130 Cb 0.00 -0.52 -0.10 0.00 -0.04 0.00 0.00 33.50 32.84 1wgs n PRO 130 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wgs s SER 131 N -2.62 0.28 -0.30 3.54 0.01 -1.26 -5.15 113.70 108.19 1wgs s SER 131 Ca 0.26 -1.40 -0.14 0.00 1.31 0.00 0.00 55.95 55.98 1wgs s SER 131 Cb -0.02 0.36 0.18 0.00 0.21 0.00 0.00 66.02 66.75 1wgs s SER 131 CO 0.19 -0.83 1.03 -0.55 0.41 0.00 0.00 173.24 173.49 1wgs s SER 132 N -3.18 -0.50 0.00 2.44 0.15 -1.26 -5.38 113.70 105.97 1wgs s SER 132 Ca 0.39 0.43 0.00 0.00 0.70 0.00 0.00 55.95 57.47 1wgs s SER 132 Cb 0.07 1.47 0.00 0.00 -1.71 0.00 0.00 66.02 65.85 1wgs s SER 132 CO 0.12 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.08