#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 -0.40 0.24 1.61 0.01 -1.26 -5.04 113.70 108.86 1wgs s SER 2 Ca 0.00 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.32 1wgs s SER 2 Cb 0.00 1.41 0.00 0.00 0.21 0.00 0.00 66.02 67.64 1wgs s SER 2 CO 0.00 -0.23 0.00 -0.24 0.41 0.00 0.00 173.24 173.18 1wgs n SER 3 N 5.28 0.02 -0.80 2.44 2.88 -1.26 -5.15 113.62 117.02 1wgs n SER 3 Ca -0.10 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.84 1wgs n SER 3 Cb 0.50 0.27 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 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 1.82 -2.35 3.26 0.46 0.00 -1.26 -4.97 105.19 102.16 1wgs n GLY 4 Ca 0.00 -0.67 -0.44 0.00 0.00 0.00 0.00 46.02 44.91 1wgs n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wgs s SER 5 N 0.00 6.32 0.05 1.61 0.15 -1.26 -4.69 113.70 115.89 1wgs s SER 5 Ca 0.00 -2.72 0.00 0.00 0.70 0.00 0.00 55.95 53.93 1wgs s SER 5 Cb 0.00 -2.11 0.00 0.00 -1.71 0.00 0.00 66.02 62.20 1wgs s SER 5 CO 0.00 -0.52 0.00 -1.54 1.20 0.00 0.00 173.24 172.38 1wgs n SER 6 N 3.86 -0.20 -3.61 5.45 3.41 -1.26 -5.16 113.62 116.11 1wgs n SER 6 Ca 0.11 0.10 -0.09 0.00 -0.26 0.00 0.00 58.87 58.73 1wgs n SER 6 Cb 0.44 0.33 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 1wgs n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wgs s GLY 7 N -3.37 -0.16 0.18 5.00 0.00 -1.26 -5.05 107.32 102.67 1wgs s GLY 7 Ca 0.00 2.43 -0.19 0.00 0.00 0.00 0.00 44.72 46.96 1wgs s GLY 7 CO 0.00 1.40 1.62 -2.09 0.00 0.00 0.00 173.10 174.03 1wgs h GLU 8 N 3.18 -0.14 -6.35 2.90 4.81 -2.01 -3.37 114.58 113.61 1wgs h GLU 8 Ca -0.22 0.01 -0.57 0.00 -0.13 0.00 0.00 59.36 58.45 1wgs h GLU 8 Cb 1.17 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1wgs h GLU 8 CO 0.22 -0.09 0.99 -1.25 -0.73 0.00 0.00 179.01 178.15 1wgs s PRO 9 N -6.10 3.89 -0.21 0.92 0.04 -1.26 -5.00 135.00 127.28 1wgs s PRO 9 Ca -0.14 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 62.13 1wgs s PRO 9 Cb 0.15 -3.91 -0.03 0.00 0.04 0.00 0.00 34.50 30.76 1wgs s PRO 9 CO 0.70 -1.16 0.02 -1.83 0.04 0.00 0.00 177.00 174.77 1wgs s GLU 10 N 4.26 3.65 0.26 4.56 -1.05 -1.26 -5.08 118.70 124.04 1wgs s GLU 10 Ca 0.58 -0.50 -0.04 0.00 -0.15 0.00 0.00 54.97 54.87 1wgs s GLU 10 Cb -0.18 -3.13 -0.02 0.00 -0.44 0.00 0.00 34.13 30.36 1wgs s GLU 10 CO 0.24 0.00 0.31 0.54 0.95 0.00 0.00 175.26 177.31 1wgs s VAL 11 N 1.05 0.00 0.11 1.83 0.11 -1.26 -5.15 120.40 117.09 1wgs s VAL 11 Ca 0.03 -1.75 -0.25 0.00 -2.93 0.00 0.00 61.98 57.07 1wgs s VAL 11 Cb -0.14 -2.44 0.07 0.00 -1.53 0.00 0.00 36.38 32.34 1wgs s VAL 11 CO 0.02 0.00 0.64 -0.89 -3.33 0.00 0.00 175.10 171.54 1wgs s THR 12 N -3.82 0.00 0.11 5.04 2.01 -1.26 -5.18 115.64 112.54 1wgs s THR 12 Ca 0.33 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.40 1wgs s THR 12 Cb 0.03 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.50 1wgs s THR 12 CO 0.15 0.00 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.19 1wgs s VAL 13 N -3.27 1.62 -0.03 3.82 1.01 -1.26 -5.01 120.40 117.28 1wgs s VAL 13 Ca -0.00 -1.57 0.04 0.00 0.00 0.00 0.00 61.98 60.45 1wgs s VAL 13 Cb -0.01 -1.52 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 1wgs s VAL 13 CO -0.09 -0.14 -0.15 -1.61 0.00 0.00 0.00 175.10 173.11 1wgs s GLU 14 N -2.05 1.47 0.52 2.72 2.02 -1.26 -5.14 118.70 116.98 1wgs s GLU 14 Ca 0.07 -0.54 -0.09 0.00 0.02 0.00 0.00 54.97 54.43 1wgs s GLU 14 Cb -0.09 -1.33 -0.05 0.00 0.10 0.00 0.00 34.13 32.76 1wgs s GLU 14 CO 0.04 0.25 0.88 0.42 0.02 0.00 0.00 175.26 176.87 1wgs s ILE 15 N -0.05 4.78 0.00 -1.63 -1.09 -1.26 -3.88 121.20 118.07 1wgs s ILE 15 Ca -0.01 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.01 1wgs s ILE 15 Cb -0.09 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.96 1wgs s ILE 15 CO 0.01 -0.88 0.00 0.61 -1.23 0.00 0.00 174.94 173.45 1wgs n GLY 16 N -2.19 2.79 3.94 6.18 0.00 -1.06 -5.00 105.19 109.84 1wgs n GLY 16 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 1wgs n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wgs s GLU 17 N -0.05 3.12 -0.03 1.61 8.01 -1.25 -4.83 118.70 125.28 1wgs s GLU 17 Ca 0.00 -0.24 -0.01 0.00 0.01 0.00 0.00 54.97 54.73 1wgs s GLU 17 Cb 0.00 -2.46 -0.04 0.00 -4.31 0.00 0.00 34.13 27.32 1wgs s GLU 17 CO 0.00 -0.35 0.06 0.99 0.01 0.00 0.00 175.26 175.97 1wgs s THR 18 N -2.69 4.62 0.09 3.63 2.01 -1.26 -1.93 115.64 120.11 1wgs s THR 18 Ca 0.49 -0.36 0.02 0.00 0.31 0.00 0.00 61.69 62.15 1wgs s THR 18 Cb -0.10 -3.07 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 1wgs s THR 18 CO 0.41 0.42 -0.06 -0.31 -0.69 0.00 0.00 174.62 174.39 1wgs s TYR 19 N -1.11 0.85 -0.20 4.92 1.51 0.03 -4.93 117.35 118.43 1wgs s TYR 19 Ca 0.20 -0.89 -0.27 0.00 -1.01 0.00 0.00 57.07 55.10 1wgs s TYR 19 Cb -0.12 -0.50 -0.00 0.00 -0.11 0.00 0.00 41.96 41.23 1wgs s TYR 19 CO 0.10 -0.16 0.95 -0.51 -1.11 0.00 0.00 175.55 174.83 1wgs s LEU 20 N -2.91 4.14 -0.16 -1.29 2.01 -1.26 -0.21 118.68 118.99 1wgs s LEU 20 Ca 0.10 1.30 -0.05 0.00 0.01 0.00 0.00 54.13 55.49 1wgs s LEU 20 Cb 0.04 -3.41 -0.03 0.00 0.01 0.00 0.00 46.19 42.80 1wgs s LEU 20 CO -0.05 -0.54 0.00 0.00 1.01 0.00 0.00 176.35 176.78 1wgs n ARG 22 N 3.40 2.71 -3.66 0.00 0.63 0.38 -1.30 116.66 118.81 1wgs n ARG 22 Ca -0.17 0.95 -0.21 0.00 -0.92 0.00 0.00 57.85 57.50 1wgs n ARG 22 Cb 0.52 -2.69 -0.18 0.00 0.45 0.00 0.00 32.46 30.56 1wgs n ARG 22 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1wgs s ARG 23 N -1.94 -0.06 -1.10 -0.14 0.52 -1.22 -4.85 118.95 110.17 1wgs s ARG 23 Ca 0.54 0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.99 1wgs s ARG 23 Cb -0.47 -0.69 -0.08 0.00 0.52 0.00 0.00 34.95 34.22 1wgs s ARG 23 CO 0.62 -0.38 2.52 -0.35 0.02 0.00 0.00 175.30 177.74 1wgs n PRO 24 N 5.30 2.65 0.00 3.54 -0.04 -1.26 -3.48 135.00 141.71 1wgs n PRO 24 Ca -0.04 -1.67 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1wgs n PRO 24 Cb 0.50 -2.52 0.00 0.00 -0.04 0.00 0.00 33.50 31.43 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 3.80 1.05 0.00 3.54 9.92 -1.26 -5.04 116.55 128.55 1wgs n ASP 25 Ca 0.57 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.83 1wgs n ASP 25 Cb 0.23 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.71 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79 1wgs n SER 26 N -2.52 0.00 -0.74 -2.24 3.41 -1.23 -5.16 113.62 105.14 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1wgs n SER 26 Cb 0.31 0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1wgs n SER 26 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1wgs n THR 27 N -1.67 0.00 -2.48 6.66 -2.24 -1.25 -5.08 114.28 108.22 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 -0.04 0.00 -2.10 0.00 0.00 70.33 68.19 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -0.57 0.00 0.00 175.07 174.76 1wgs s TRP 28 N -6.06 3.44 -0.09 4.78 0.52 -1.26 -3.39 118.94 116.87 1wgs s TRP 28 Ca 0.00 1.44 -0.01 0.00 0.02 0.00 0.00 56.10 57.55 1wgs s TRP 28 Cb 0.00 -2.76 0.03 0.00 -1.15 0.00 0.00 33.47 29.58 1wgs s TRP 28 CO 0.00 -0.32 -0.02 -1.01 0.02 0.00 0.00 176.95 175.62 1wgs s HIS 29 N -2.56 0.93 0.53 -1.98 3.76 -0.42 -4.92 115.29 110.64 1wgs s HIS 29 Ca 0.58 -0.37 -0.18 0.00 -0.15 0.00 0.00 55.06 54.94 1wgs s HIS 29 Cb -0.10 -0.94 -0.12 0.00 1.11 0.00 0.00 32.58 32.53 1wgs s HIS 29 CO 0.30 -0.40 0.20 -1.13 -0.85 0.00 0.00 174.74 172.86 1wgs n SER 30 N 5.08 -2.35 -3.64 1.40 3.41 -1.26 -2.35 113.62 113.91 1wgs n SER 30 Ca -0.09 0.70 -0.07 0.00 -0.26 0.00 0.00 58.87 59.16 1wgs n SER 30 Cb 0.50 -1.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.37 1wgs n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wgs s ALA 31 N -1.86 -1.90 0.20 7.33 0.00 0.70 -3.85 121.76 122.38 1wgs s ALA 31 Ca 0.63 2.41 -0.30 0.00 0.00 0.00 0.00 51.96 54.70 1wgs s ALA 31 Cb -0.48 -1.44 -0.08 0.00 0.00 0.00 0.00 23.12 21.12 1wgs s ALA 31 CO 0.60 -0.38 1.00 -1.83 0.00 0.00 0.00 175.76 175.16 1wgs s GLU 32 N 1.61 4.73 -0.47 0.00 -1.05 0.17 -0.79 118.70 122.90 1wgs s GLU 32 Ca -0.10 1.57 -0.24 0.00 -0.15 0.00 0.00 54.97 56.05 1wgs s GLU 32 Cb -0.05 -3.29 0.03 0.00 -0.44 0.00 0.00 34.13 30.38 1wgs s GLU 32 CO -0.19 0.30 0.88 0.08 0.95 0.00 0.00 175.26 177.27 1wgs s VAL 33 N -0.65 4.52 -0.02 1.83 1.01 -0.81 0.19 120.40 126.46 1wgs s VAL 33 Ca 0.45 0.58 -0.18 0.00 0.00 0.00 0.00 61.98 62.83 1wgs s VAL 33 Cb -0.27 -4.41 -0.10 0.00 0.00 0.00 0.00 36.38 31.60 1wgs s VAL 33 CO 0.33 -0.83 0.76 0.40 0.00 0.00 0.00 175.10 175.76 1wgs h ILE 34 N 6.04 0.00 -2.11 2.22 1.08 -0.02 -2.80 117.51 121.92 1wgs h ILE 34 Ca -0.25 -0.51 -0.01 0.00 -0.39 0.00 0.00 64.86 63.70 1wgs h ILE 34 Cb 1.08 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.83 1wgs h ILE 34 CO 1.01 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.47 1wgs n GLN 35 N -5.18 0.06 -4.13 2.37 1.13 -1.24 -4.62 117.38 105.77 1wgs n GLN 35 Ca -0.08 -0.17 -0.10 0.00 -1.94 0.00 0.00 57.00 54.70 1wgs n GLN 35 Cb 0.26 0.18 -0.10 0.00 0.11 0.00 0.00 30.24 30.69 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 -1.14 0.95 0.28 1.08 1.04 -1.26 -2.03 113.70 112.61 1wgs s SER 36 Ca 0.02 -0.92 -0.19 0.00 0.48 0.00 0.00 55.95 55.34 1wgs s SER 36 Cb -0.00 0.11 0.02 0.00 0.10 0.00 0.00 66.02 66.24 1wgs s SER 36 CO 0.01 -0.44 0.67 0.00 0.98 0.00 0.00 173.24 174.46 1wgs s ARG 37 N -3.43 1.76 0.03 4.02 1.70 -0.71 -4.98 118.95 117.34 1wgs s ARG 37 Ca 0.07 -1.07 0.06 0.00 -0.47 0.00 0.00 55.73 54.32 1wgs s ARG 37 Cb 0.03 0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 34.97 1wgs s ARG 37 CO -0.05 -0.79 -0.17 0.08 -1.08 0.00 0.00 175.30 173.29 1wgs s VAL 38 N -3.87 1.33 -0.39 4.99 1.01 -1.26 -2.07 120.40 120.14 1wgs s VAL 38 Ca 0.14 -0.97 -0.08 0.00 0.00 0.00 0.00 61.98 61.06 1wgs s VAL 38 Cb -0.05 -1.16 0.07 0.00 0.00 0.00 0.00 36.38 35.23 1wgs s VAL 38 CO 0.08 0.17 0.21 0.20 0.00 0.00 0.00 175.10 175.76 1wgs s ASN 39 N -0.93 5.53 0.30 3.32 -0.87 0.84 -4.92 114.94 118.21 1wgs s ASN 39 Ca 0.05 -1.40 0.14 0.00 -1.57 0.00 0.00 52.86 50.07 1wgs s ASN 39 Cb -0.08 -1.95 0.43 0.00 -0.02 0.00 0.00 41.25 39.63 1wgs s ASN 39 CO 0.01 -0.47 1.63 -0.78 -2.57 0.00 0.00 177.10 174.92 1wgs h ASP 40 N 8.33 0.00 0.41 -1.22 3.58 -1.95 1.18 116.42 126.75 1wgs h ASP 40 Ca -0.22 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.21 1wgs h ASP 40 Cb 1.08 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.14 1wgs h ASP 40 CO 0.70 0.54 -0.20 1.56 -2.88 0.00 0.00 179.24 178.97 1wgs h GLN 41 N 0.00 -0.53 0.00 0.28 4.20 -1.96 -3.27 115.11 113.83 1wgs h GLN 41 Ca -0.01 0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1wgs h GLN 41 Cb 1.08 0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.97 1wgs h GLN 41 CO 0.07 -0.36 -0.58 0.93 -0.67 0.00 0.00 178.83 178.23 1wgs h GLU 42 N -0.62 0.00 -2.87 1.46 4.39 -2.00 -3.48 114.58 111.47 1wgs h GLU 42 Ca -0.06 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1wgs h GLU 42 Cb 0.42 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1wgs h GLU 42 CO 0.09 0.58 -0.15 0.41 -1.16 0.00 0.00 179.01 178.78 1wgs n GLY 43 N 1.10 0.34 3.28 -3.84 0.00 0.40 -5.08 105.19 101.39 1wgs n GLY 43 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 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 -4.03 1.12 0.14 1.61 1.70 -0.64 -4.96 118.95 113.88 1wgs s ARG 44 Ca 0.02 -1.31 0.02 0.00 -0.47 0.00 0.00 55.73 53.99 1wgs s ARG 44 Cb -0.00 0.33 -0.04 0.00 -0.57 0.00 0.00 34.95 34.67 1wgs s ARG 44 CO 0.14 -0.38 0.27 -1.21 -1.08 0.00 0.00 175.30 173.04 1wgs s GLU 45 N -4.02 3.43 0.07 3.89 2.02 -1.26 -0.11 118.70 122.72 1wgs s GLU 45 Ca 0.22 -0.58 -0.13 0.00 0.02 0.00 0.00 54.97 54.50 1wgs s GLU 45 Cb 0.05 -2.97 0.02 0.00 0.10 0.00 0.00 34.13 31.32 1wgs s GLU 45 CO 0.02 0.53 0.29 -1.21 0.02 0.00 0.00 175.26 174.92 1wgs s GLU 46 N -3.14 0.87 -0.06 1.61 2.02 -0.88 -4.40 118.70 114.72 1wgs s GLU 46 Ca 0.35 -0.66 -0.02 0.00 0.02 0.00 0.00 54.97 54.66 1wgs s GLU 46 Cb -0.11 0.37 0.04 0.00 0.10 0.00 0.00 34.13 34.53 1wgs s GLU 46 CO 0.28 -0.29 0.11 -0.06 0.02 0.00 0.00 175.26 175.32 1wgs s PHE 47 N -3.11 -0.07 -0.79 1.61 0.40 0.31 -1.74 117.98 114.59 1wgs s PHE 47 Ca -0.01 0.41 -0.25 0.00 -0.60 0.00 0.00 56.93 56.47 1wgs s PHE 47 Cb 0.01 -0.28 -0.03 0.00 0.51 0.00 0.00 43.02 43.23 1wgs s PHE 47 CO -0.07 -0.20 1.87 -0.47 0.70 0.00 0.00 175.22 177.05 1wgs s TYR 48 N 1.84 1.80 -0.12 0.36 5.04 -0.86 -0.65 117.35 124.76 1wgs s TYR 48 Ca -0.01 0.60 -0.12 0.00 -2.44 0.00 0.00 57.07 55.10 1wgs s TYR 48 Cb -0.12 -4.11 -0.05 0.00 0.35 0.00 0.00 41.96 38.03 1wgs s TYR 48 CO -0.05 -1.99 0.28 0.14 -1.34 0.00 0.00 175.55 172.60 1wgs s VAL 49 N 9.30 5.29 -0.24 3.14 -7.23 -1.00 0.74 120.40 130.40 1wgs s VAL 49 Ca 0.67 0.53 -0.08 0.00 -1.81 0.00 0.00 61.98 61.29 1wgs s VAL 49 Cb -0.09 -3.59 -0.03 0.00 0.56 0.00 0.00 36.38 33.23 1wgs s VAL 49 CO 0.08 0.48 0.08 -2.28 -0.31 0.00 0.00 175.10 173.15 1wgs s HIS 50 N -0.20 3.12 -0.95 2.82 2.46 0.49 -3.72 115.29 119.31 1wgs s HIS 50 Ca 0.17 -0.28 -0.24 0.00 0.47 0.00 0.00 55.06 55.18 1wgs s HIS 50 Cb -0.14 -2.22 -0.00 0.00 -0.13 0.00 0.00 32.58 30.10 1wgs s HIS 50 CO 0.06 -0.24 1.71 0.71 -2.47 0.00 0.00 174.74 174.51 1wgs s TYR 51 N 1.38 2.14 -1.20 3.88 2.02 -1.26 0.42 117.35 124.72 1wgs s TYR 51 Ca 0.05 -0.04 -0.21 0.00 -0.37 0.00 0.00 57.07 56.50 1wgs s TYR 51 Cb -0.15 -4.35 -0.04 0.00 -0.40 0.00 0.00 41.96 37.02 1wgs s TYR 51 CO 0.04 -1.85 1.87 0.14 -1.57 0.00 0.00 175.55 174.19 1wgs s VAL 52 N 7.70 3.70 0.00 0.71 -7.23 -1.25 -2.57 120.40 121.46 1wgs s VAL 52 Ca 0.59 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.59 1wgs s VAL 52 Cb -0.04 -4.73 0.00 0.00 0.56 0.00 0.00 36.38 32.17 1wgs s VAL 52 CO -0.04 -1.29 0.00 0.61 -0.31 0.00 0.00 175.10 174.07 1wgs n GLY 53 N 5.75 0.77 0.00 2.32 0.00 -1.26 -4.94 105.19 107.83 1wgs n GLY 53 Ca 0.46 -0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.41 1wgs n GLY 53 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1wgs h PHE 54 N 0.00 0.00 -2.27 1.61 -1.00 -1.90 -3.51 116.94 109.88 1wgs h PHE 54 Ca 0.00 0.00 0.28 0.00 2.81 0.00 0.00 57.97 61.06 1wgs h PHE 54 Cb 0.00 0.00 -0.06 0.00 3.61 0.00 0.00 35.95 39.50 1wgs h PHE 54 CO 0.00 0.00 0.80 1.21 -1.61 0.00 0.00 178.31 178.71 1wgs s ASN 55 N -3.13 0.01 -0.07 2.17 3.84 -1.25 -5.03 114.94 111.48 1wgs s ASN 55 Ca -0.00 -0.36 0.01 0.00 0.21 0.00 0.00 52.86 52.72 1wgs s ASN 55 Cb 0.00 0.26 -0.25 0.00 -0.55 0.00 0.00 41.25 40.71 1wgs s ASN 55 CO 0.00 -0.53 0.58 0.03 -2.79 0.00 0.00 177.10 174.39 1wgs h ARG 56 N 2.00 0.17 0.00 0.43 3.08 -1.99 -3.31 114.38 114.77 1wgs h ARG 56 Ca -0.24 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.52 1wgs h ARG 56 Cb 1.20 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.35 1wgs h ARG 56 CO 0.33 0.94 0.00 2.89 -1.07 0.00 0.00 179.97 183.06 1wgs n ARG 57 N -3.32 0.07 -3.07 0.04 -4.01 -1.26 -3.75 116.66 101.36 1wgs n ARG 57 Ca -0.23 0.36 -0.44 0.00 -1.04 0.00 0.00 57.85 56.50 1wgs n ARG 57 Cb 1.05 -1.65 0.01 0.00 -3.04 0.00 0.00 32.46 28.82 1wgs n ARG 57 CO 0.00 0.00 0.00 1.28 -3.04 0.00 0.00 177.63 175.87 1wgs n LEU 58 N -1.79 6.08 -3.94 2.89 4.77 -1.25 -4.96 117.00 118.81 1wgs n LEU 58 Ca 0.02 -5.08 -0.19 0.00 -0.03 0.00 0.00 56.01 50.73 1wgs n LEU 58 Cb 0.16 -1.38 -0.16 0.00 -2.33 0.00 0.00 43.42 39.72 1wgs n LEU 58 CO 0.13 1.51 -0.42 -0.62 -1.33 0.00 0.00 177.39 176.67 1wgs s ASP 59 N -0.30 0.95 0.26 -1.43 -1.08 -1.25 -4.02 116.67 109.80 1wgs s ASP 59 Ca 0.32 -0.14 -0.13 0.00 -0.52 0.00 0.00 52.55 52.08 1wgs s ASP 59 Cb -0.00 -0.33 -0.00 0.00 -1.46 0.00 0.00 42.92 41.13 1wgs s ASP 59 CO 0.03 0.01 0.51 -1.83 0.52 0.00 0.00 175.17 174.41 1wgs s GLU 60 N 0.45 1.60 0.19 4.34 -1.05 -1.24 -5.07 118.70 117.92 1wgs s GLU 60 Ca -0.06 -1.26 -0.17 0.00 -0.15 0.00 0.00 54.97 53.33 1wgs s GLU 60 Cb -0.10 0.48 -0.08 0.00 -0.44 0.00 0.00 34.13 34.00 1wgs s GLU 60 CO 0.00 -0.68 0.63 -1.58 0.95 0.00 0.00 175.26 174.59 1wgs s TRP 61 N -3.92 3.62 0.20 4.83 0.52 -1.26 -2.37 118.94 120.56 1wgs s TRP 61 Ca 0.22 1.21 0.05 0.00 0.02 0.00 0.00 56.10 57.60 1wgs s TRP 61 Cb -0.01 -2.48 -0.05 0.00 -1.15 0.00 0.00 33.47 29.78 1wgs s TRP 61 CO 0.09 0.38 -0.09 0.14 0.02 0.00 0.00 176.95 177.49 1wgs s VAL 62 N -1.51 1.36 0.37 4.03 -7.23 0.18 -4.85 120.40 112.75 1wgs s VAL 62 Ca 0.41 -2.11 0.03 0.00 -1.81 0.00 0.00 61.98 58.50 1wgs s VAL 62 Cb -0.16 -2.09 -0.01 0.00 0.56 0.00 0.00 36.38 34.68 1wgs s VAL 62 CO 0.20 -0.55 0.55 -1.81 -0.31 0.00 0.00 175.10 173.17 1wgs s ASP 63 N -3.28 6.04 0.59 4.85 1.11 -1.26 0.11 116.67 124.83 1wgs s ASP 63 Ca 0.23 0.16 0.29 0.00 0.18 0.00 0.00 52.55 53.41 1wgs s ASP 63 Cb 0.02 -1.60 1.71 0.00 1.07 0.00 0.00 42.92 44.12 1wgs s ASP 63 CO 0.06 -0.45 2.14 0.11 1.18 0.00 0.00 175.17 178.21 1wgs h LYS 64 N 0.72 0.00 0.03 8.23 1.57 -1.93 0.24 116.57 125.44 1wgs h LYS 64 Ca -0.48 0.00 -0.17 0.00 -1.87 0.00 0.00 60.65 58.14 1wgs h LYS 64 Cb 1.24 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.57 1wgs h LYS 64 CO 0.57 0.00 -0.68 -0.91 -0.57 0.00 0.00 179.45 177.87 1wgs h ASN 65 N 0.00 0.54 0.20 0.86 2.35 -1.94 -3.10 115.58 114.48 1wgs h ASN 65 Ca 0.06 -0.80 0.00 0.00 -0.55 0.00 0.00 56.30 55.01 1wgs h ASN 65 Cb 0.35 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1wgs h ASN 65 CO -0.00 1.28 0.00 0.03 -1.65 0.00 0.00 177.43 177.09 1wgs h ARG 66 N -0.14 0.00 -6.80 0.81 3.08 -1.36 -3.42 114.38 106.55 1wgs h ARG 66 Ca -0.09 0.00 -0.45 0.00 0.07 0.00 0.00 59.98 59.50 1wgs h ARG 66 Cb 1.41 0.00 0.05 0.00 0.08 0.00 0.00 29.97 31.51 1wgs h ARG 66 CO 0.13 0.00 -0.05 -0.51 -1.07 0.00 0.00 179.97 178.47 1wgs s LEU 67 N -5.92 3.23 -0.39 3.04 1.43 -0.61 -0.47 118.68 118.98 1wgs s LEU 67 Ca -0.03 -0.37 -0.07 0.00 -1.03 0.00 0.00 54.13 52.63 1wgs s LEU 67 Cb 0.11 -2.31 0.07 0.00 0.03 0.00 0.00 46.19 44.10 1wgs s LEU 67 CO 0.41 -1.32 0.19 0.00 0.23 0.00 0.00 176.35 175.86 1wgs s ALA 68 N -2.77 3.16 -0.40 4.21 0.00 -0.65 -4.74 121.76 120.58 1wgs s ALA 68 Ca 0.60 -2.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.45 1wgs s ALA 68 Cb -0.08 -2.44 0.11 0.00 0.00 0.00 0.00 23.12 20.71 1wgs s ALA 68 CO 0.39 -1.57 0.18 -0.51 0.00 0.00 0.00 175.76 174.26 1wgs s LEU 69 N 1.35 5.17 0.00 0.00 1.43 -1.26 -4.68 118.68 120.68 1wgs s LEU 69 Ca 0.02 -2.03 0.00 0.00 -1.03 0.00 0.00 54.13 51.09 1wgs s LEU 69 Cb -0.22 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1wgs s LEU 69 CO 0.01 -0.52 0.00 0.41 0.23 0.00 0.00 176.35 176.48 1wgs n THR 70 N 4.56 0.00 -0.06 5.49 -1.04 -1.26 -3.66 114.28 118.30 1wgs n THR 70 Ca -0.02 0.00 -0.16 0.00 -2.04 0.00 0.00 64.05 61.83 1wgs n THR 70 Cb 0.41 -0.19 -0.05 0.00 -1.82 0.00 0.00 70.33 68.68 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 0.00 0.85 -1.75 -2.82 5.09 -1.96 -3.02 116.57 112.96 1wgs h LYS 71 Ca 0.01 -0.59 0.51 0.00 0.09 0.00 0.00 60.65 60.67 1wgs h LYS 71 Cb 0.50 0.09 -0.07 0.00 0.10 0.00 0.00 32.23 32.85 1wgs h LYS 71 CO 0.00 1.22 1.37 1.15 -2.09 0.00 0.00 179.45 181.10 1wgs h THR 72 N 0.63 0.02 -2.57 0.07 2.02 -2.03 -3.38 112.91 107.67 1wgs h THR 72 Ca -0.01 0.00 -0.55 0.00 0.77 0.00 0.00 66.41 66.62 1wgs h THR 72 Cb 1.24 0.02 -0.15 0.00 -1.74 0.00 0.00 68.15 67.52 1wgs h THR 72 CO 0.13 0.00 -0.76 -0.69 0.37 0.00 0.00 175.52 174.58 1wgs s VAL 73 N -4.77 2.17 0.61 3.16 1.01 -1.14 -5.06 120.40 116.38 1wgs s VAL 73 Ca -0.04 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.65 1wgs s VAL 73 Cb 0.24 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.45 1wgs s VAL 73 CO 0.80 -0.45 0.00 2.29 0.00 0.00 0.00 175.10 177.74 1wgs n LYS 74 N -0.43 -3.81 -3.59 2.72 -0.00 -1.26 -4.59 118.16 107.19 1wgs n LYS 74 Ca -0.07 3.02 0.01 0.00 -0.00 0.00 0.00 58.31 61.28 1wgs n LYS 74 Cb 0.60 -4.00 -0.01 0.00 -0.00 0.00 0.00 35.03 31.62 1wgs n LYS 74 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.40 177.56 1wgs s ASP 75 N -6.22 -0.03 -0.14 -5.58 1.47 -1.26 -4.85 116.67 100.07 1wgs s ASP 75 Ca 0.00 -0.03 -0.00 0.00 1.18 0.00 0.00 52.55 53.70 1wgs s ASP 75 Cb 0.00 0.05 0.00 0.00 -0.34 0.00 0.00 42.92 42.63 1wgs s ASP 75 CO 0.00 -0.09 0.00 0.00 0.68 0.00 0.00 175.17 175.77 1wgs n ALA 76 N -0.34 -2.66 -2.69 2.11 0.00 -1.26 -4.96 120.51 110.71 1wgs n ALA 76 Ca -0.05 0.25 -0.08 0.00 0.00 0.00 0.00 53.44 53.57 1wgs n ALA 76 Cb 0.61 -0.77 0.04 0.00 0.00 0.00 0.00 19.45 19.33 1wgs n ALA 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wgs n VAL 77 N 1.06 0.99 -0.94 0.00 0.31 -1.26 -4.80 118.33 113.69 1wgs n VAL 77 Ca -0.01 -2.97 -0.35 0.00 -0.01 0.00 0.00 64.34 61.00 1wgs n VAL 77 Cb 0.28 0.77 0.06 0.00 -0.91 0.00 0.00 33.84 34.04 1wgs n VAL 77 CO 0.00 0.00 0.00 1.67 -1.32 0.00 0.00 176.83 177.18 1wgs n GLN 78 N -0.16 -0.12 -3.74 5.55 7.27 -1.26 -5.01 117.38 119.90 1wgs n GLN 78 Ca 0.08 -0.03 -0.09 0.00 0.07 0.00 0.00 57.00 57.03 1wgs n GLN 78 Cb 0.82 -1.22 -0.03 0.00 2.41 0.00 0.00 30.24 32.22 1wgs n GLN 78 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1wgs s LYS 79 N -2.42 1.48 0.08 3.69 2.20 -1.26 -5.10 119.74 118.42 1wgs s LYS 79 Ca 0.44 -0.87 -0.37 0.00 -0.36 0.00 0.00 55.97 54.81 1wgs s LYS 79 Cb -0.16 0.55 -0.17 0.00 -1.51 0.00 0.00 37.83 36.54 1wgs s LYS 79 CO 0.77 -0.65 1.26 0.27 -0.36 0.00 0.00 175.35 176.64 1wgs n ASN 80 N -0.38 1.25 -4.58 1.43 0.23 -1.26 -4.73 115.26 107.22 1wgs n ASN 80 Ca -0.09 1.13 -0.47 0.00 -0.53 0.00 0.00 54.58 54.62 1wgs n ASN 80 Cb 0.62 -1.14 -0.05 0.00 -2.08 0.00 0.00 39.78 37.13 1wgs n ASN 80 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 1wgs n SER 81 N 2.26 3.00 -4.41 0.53 7.64 -1.26 -4.94 113.62 116.44 1wgs n SER 81 Ca 0.18 0.53 -0.33 0.00 1.01 0.00 0.00 58.87 60.26 1wgs n SER 81 Cb 0.18 -1.41 -0.14 0.00 -1.01 0.00 0.00 64.21 61.83 1wgs n SER 81 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1wgs s GLU 82 N 5.56 3.48 -0.20 1.43 0.41 -1.26 -5.05 118.70 123.07 1wgs s GLU 82 Ca 1.01 -0.63 -0.43 0.00 -0.41 0.00 0.00 54.97 54.51 1wgs s GLU 82 Cb -0.61 -2.73 -0.20 0.00 -1.78 0.00 0.00 34.13 28.81 1wgs s GLU 82 CO 0.45 0.22 1.32 1.17 -0.49 0.00 0.00 175.26 177.92 1wgs n LYS 83 N 3.55 0.11 -3.85 1.61 4.81 -1.26 -4.93 118.16 118.19 1wgs n LYS 83 Ca -0.18 0.04 -0.12 0.00 -0.87 0.00 0.00 58.31 57.18 1wgs n LYS 83 Cb 0.53 -1.56 -0.12 0.00 0.02 0.00 0.00 35.03 33.90 1wgs n LYS 83 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1wgs s TYR 84 N 1.33 -0.06 0.00 5.64 5.04 -1.26 -5.06 117.35 122.98 1wgs s TYR 84 Ca 0.96 0.15 0.00 0.00 -2.44 0.00 0.00 57.07 55.74 1wgs s TYR 84 Cb -1.33 0.01 0.00 0.00 0.35 0.00 0.00 41.96 40.98 1wgs s TYR 84 CO 0.66 -0.11 0.00 -0.11 -1.34 0.00 0.00 175.55 174.66 1wgs n LEU 85 N 2.64 -1.34 -2.96 6.97 7.94 -1.26 -5.11 117.00 123.88 1wgs n LEU 85 Ca -0.15 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 54.78 1wgs n LEU 85 Cb 0.58 -0.67 0.00 0.00 0.53 0.00 0.00 43.42 43.86 1wgs n LEU 85 CO 0.22 0.00 0.40 -0.55 -1.11 0.00 0.00 177.39 176.35 1wgs s SER 86 N 0.00 -0.60 -0.18 1.96 0.15 -1.26 -5.14 113.70 108.62 1wgs s SER 86 Ca 0.00 -0.18 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1wgs s SER 86 Cb 0.00 0.96 0.02 0.00 -1.71 0.00 0.00 66.02 65.29 1wgs s SER 86 CO 0.00 -0.08 -0.18 -0.70 1.20 0.00 0.00 173.24 173.48 1wgs s GLU 87 N 2.26 3.05 0.06 5.44 -6.30 -1.26 -5.11 118.70 116.83 1wgs s GLU 87 Ca 0.18 -0.80 0.07 0.00 -2.50 0.00 0.00 54.97 51.92 1wgs s GLU 87 Cb 0.00 -2.63 -0.03 0.00 0.00 0.00 0.00 34.13 31.48 1wgs s GLU 87 CO -0.16 -0.20 -0.20 -0.51 0.02 0.00 0.00 175.26 174.20 1wgs s LEU 88 N 1.30 2.19 0.00 2.70 2.01 -1.26 -5.14 118.68 120.49 1wgs s LEU 88 Ca 0.05 -0.55 -0.00 0.00 0.01 0.00 0.00 54.13 53.63 1wgs s LEU 88 Cb -0.13 -0.94 0.00 0.00 0.01 0.00 0.00 46.19 45.13 1wgs s LEU 88 CO -0.11 0.13 0.06 0.00 1.01 0.00 0.00 176.35 177.44 1wgs n ALA 89 N 1.70 -0.02 -2.89 4.21 0.00 -1.26 -5.10 120.51 117.15 1wgs n ALA 89 Ca -0.18 -0.21 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 1wgs n ALA 89 Cb 0.53 0.17 -0.04 0.00 0.00 0.00 0.00 19.45 20.11 1wgs n ALA 89 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wgs s GLU 90 N -2.11 3.15 0.97 0.00 2.12 -1.26 -5.02 118.70 116.55 1wgs s GLU 90 Ca 0.04 -0.98 -0.13 0.00 0.36 0.00 0.00 54.97 54.26 1wgs s GLU 90 Cb -0.00 -4.31 0.04 0.00 0.26 0.00 0.00 34.13 30.13 1wgs s GLU 90 CO 0.03 -1.79 0.37 1.04 -0.54 0.00 0.00 175.26 174.37 1wgs n GLN 91 N 7.46 -0.43 -1.53 4.30 3.00 -1.26 -4.97 117.38 123.95 1wgs n GLN 91 Ca -0.02 -0.09 -0.29 0.00 -0.01 0.00 0.00 57.00 56.60 1wgs n GLN 91 Cb 0.45 -1.84 0.16 0.00 0.00 0.00 0.00 30.24 29.01 1wgs n GLN 91 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.06 175.81 1wgs s PRO 92 N -3.62 0.75 0.00 -1.09 0.04 -1.26 -5.08 135.00 124.73 1wgs s PRO 92 Ca 0.57 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1wgs s PRO 92 Cb -0.20 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.53 1wgs s PRO 92 CO 0.67 -2.43 0.00 -1.91 0.04 0.00 0.00 177.00 173.37 1wgs n GLU 93 N -3.90 0.00 -3.90 4.56 2.13 -1.26 -5.19 120.64 113.09 1wgs n GLU 93 Ca 0.09 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.82 1wgs n GLU 93 Cb 0.59 0.00 -0.04 0.00 0.27 0.00 0.00 31.44 32.26 1wgs n GLU 93 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1wgs s ARG 94 N 0.00 1.59 0.00 5.31 1.81 -1.26 -5.14 118.95 121.25 1wgs s ARG 94 Ca 0.00 -1.08 0.00 0.00 -1.72 0.00 0.00 55.73 52.93 1wgs s ARG 94 Cb 0.00 0.53 0.00 0.00 -0.45 0.00 0.00 34.95 35.03 1wgs s ARG 94 CO 0.00 -0.69 0.00 1.63 -0.68 0.00 0.00 175.30 175.56 1wgs n LYS 95 N -0.40 0.00 -4.16 3.54 4.76 -1.26 -5.18 118.16 115.47 1wgs n LYS 95 Ca -0.04 0.00 -0.23 0.00 -2.87 0.00 0.00 58.31 55.17 1wgs n LYS 95 Cb 0.61 0.00 -0.06 0.00 -1.84 0.00 0.00 35.03 33.74 1wgs n LYS 95 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1wgs s ILE 96 N 0.00 3.25 -0.10 -0.18 1.09 -1.26 -5.14 121.20 118.86 1wgs s ILE 96 Ca 0.00 -1.74 -0.32 0.00 -1.10 0.00 0.00 60.65 57.49 1wgs s ILE 96 Cb 0.00 -2.97 0.12 0.00 -1.06 0.00 0.00 42.46 38.55 1wgs s ILE 96 CO 0.00 -0.25 1.04 0.28 -0.10 0.00 0.00 174.94 175.91 1wgs s THR 97 N -2.38 0.00 -0.30 2.92 -1.32 -1.26 -5.17 115.64 108.13 1wgs s THR 97 Ca 0.35 0.00 -0.16 0.00 -1.21 0.00 0.00 61.69 60.67 1wgs s THR 97 Cb -0.04 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.16 1wgs s THR 97 CO 0.22 0.00 1.28 -0.60 -2.21 0.00 0.00 174.62 173.31 1wgs s ARG 98 N -2.61 0.02 0.06 7.08 6.06 -1.26 -5.18 118.95 123.13 1wgs s ARG 98 Ca 0.06 0.04 -0.06 0.00 -2.50 0.00 0.00 55.73 53.28 1wgs s ARG 98 Cb -0.01 0.01 -0.01 0.00 0.06 0.00 0.00 34.95 34.99 1wgs s ARG 98 CO -0.06 -0.01 0.11 0.54 -2.50 0.00 0.00 175.30 173.38 1wgs s ASN 99 N 1.09 0.22 0.14 -2.12 2.20 -1.26 -5.17 114.94 110.04 1wgs s ASN 99 Ca -0.07 -0.69 -0.25 0.00 -0.94 0.00 0.00 52.86 50.91 1wgs s ASN 99 Cb -0.02 0.27 0.08 0.00 -2.00 0.00 0.00 41.25 39.58 1wgs s ASN 99 CO -0.10 -0.63 1.04 -1.58 -2.94 0.00 0.00 177.10 172.89 1wgs s GLN 100 N -3.47 1.13 0.30 3.55 0.74 -1.26 -5.19 119.66 115.45 1wgs s GLN 100 Ca 0.02 -0.67 -0.11 0.00 0.05 0.00 0.00 55.36 54.66 1wgs s GLN 100 Cb 0.04 0.35 0.04 0.00 1.10 0.00 0.00 33.01 34.55 1wgs s GLN 100 CO -0.09 -0.52 0.59 1.17 -0.55 0.00 0.00 175.29 175.89 1wgs n LYS 101 N -0.56 0.84 -3.81 1.67 4.81 -1.26 -5.19 118.16 114.66 1wgs n LYS 101 Ca -0.05 -1.69 -0.05 0.00 -0.87 0.00 0.00 58.31 55.65 1wgs n LYS 101 Cb 0.60 2.08 -0.01 0.00 0.02 0.00 0.00 35.03 37.73 1wgs n LYS 101 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 1wgs s ARG 102 N -2.09 1.50 0.37 1.64 1.70 -1.26 -5.19 118.95 115.62 1wgs s ARG 102 Ca 0.12 -0.87 -0.04 0.00 -0.47 0.00 0.00 55.73 54.47 1wgs s ARG 102 Cb -0.04 0.48 0.02 0.00 -0.57 0.00 0.00 34.95 34.84 1wgs s ARG 102 CO 0.09 -0.69 0.55 0.21 -1.08 0.00 0.00 175.30 174.38 1wgs s LYS 103 N -3.19 2.04 0.36 3.89 2.20 -1.26 -5.19 119.74 118.59 1wgs s LYS 103 Ca 0.14 -1.75 -0.15 0.00 -0.36 0.00 0.00 55.97 53.84 1wgs s LYS 103 Cb -0.03 0.48 0.04 0.00 -1.51 0.00 0.00 37.83 36.82 1wgs s LYS 103 CO 0.05 -0.87 0.75 -3.38 -0.36 0.00 0.00 175.35 171.54 1wgs s HIS 104 N -2.76 0.15 0.31 4.03 -3.43 -1.26 -5.18 115.29 107.14 1wgs s HIS 104 Ca 0.28 -0.75 0.10 0.00 -0.80 0.00 0.00 55.06 53.89 1wgs s HIS 104 Cb -0.02 0.74 -0.06 0.00 -1.43 0.00 0.00 32.58 31.81 1wgs s HIS 104 CO 0.20 -1.48 -0.14 -0.51 -2.00 0.00 0.00 174.74 170.82 1wgs s ASP 105 N -3.06 3.55 0.12 7.38 1.01 -1.26 -5.15 116.67 119.26 1wgs s ASP 105 Ca 0.16 -1.13 -0.18 0.00 0.71 0.00 0.00 52.55 52.11 1wgs s ASP 105 Cb -0.05 -0.31 0.04 0.00 1.01 0.00 0.00 42.92 43.62 1wgs s ASP 105 CO 0.11 -0.12 0.46 -0.70 0.21 0.00 0.00 175.17 175.13 1wgs s GLU 106 N -3.58 1.10 0.18 8.23 2.56 -1.26 -5.10 118.70 120.83 1wgs s GLU 106 Ca 0.31 -0.58 0.00 0.00 0.00 0.00 0.00 54.97 54.70 1wgs s GLU 106 Cb -0.00 0.49 0.00 0.00 2.00 0.00 0.00 34.13 36.62 1wgs s GLU 106 CO 0.15 -0.44 0.00 -0.89 -0.56 0.00 0.00 175.26 173.52 1wgs n ILE 107 N -0.14-13.34 0.00 -3.70 5.41 -1.26 -5.08 119.36 101.25 1wgs n ILE 107 Ca -0.17 3.32 0.00 0.00 1.00 0.00 0.00 62.75 66.91 1wgs n ILE 107 Cb 0.63 -5.57 0.00 0.00 -0.71 0.00 0.00 39.64 33.99 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 1.85 0.00 -3.28 4.38 5.15 -1.26 -5.15 115.26 116.95 1wgs n ASN 108 Ca 0.00 0.00 -0.05 0.00 -0.60 0.00 0.00 54.58 53.93 1wgs n ASN 108 Cb 0.00 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.20 1wgs n ASN 108 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1wgs s HIS 109 N 0.00 -1.11 1.07 1.20 2.46 -1.26 -5.15 115.29 112.50 1wgs s HIS 109 Ca 0.00 1.10 -0.18 0.00 0.47 0.00 0.00 55.06 56.45 1wgs s HIS 109 Cb 0.00 0.19 0.05 0.00 -0.13 0.00 0.00 32.58 32.69 1wgs s HIS 109 CO 0.00 -0.79 -0.13 1.55 -2.47 0.00 0.00 174.74 172.90 1wgs n VAL 110 N 5.39 0.00 -3.99 0.89 3.14 -1.26 -5.01 118.33 117.49 1wgs n VAL 110 Ca -0.02 -0.25 -0.23 0.00 -2.96 0.00 0.00 64.34 60.87 1wgs n VAL 110 Cb 0.50 -0.51 -0.06 0.00 -1.06 0.00 0.00 33.84 32.71 1wgs n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1wgs s GLN 111 N -3.26 2.37 -0.22 1.45 1.03 -1.26 -5.13 119.66 114.65 1wgs s GLN 111 Ca 0.53 -1.63 -0.03 0.00 0.04 0.00 0.00 55.36 54.27 1wgs s GLN 111 Cb -0.11 -2.17 0.11 0.00 0.03 0.00 0.00 33.01 30.86 1wgs s GLN 111 CO 0.67 -0.02 0.25 0.21 -2.54 0.00 0.00 175.29 173.86 1wgs s LYS 112 N -3.93 0.23 0.19 9.60 2.36 -1.26 -5.15 119.74 121.79 1wgs s LYS 112 Ca 0.41 0.19 0.08 0.00 -2.55 0.00 0.00 55.97 54.10 1wgs s LYS 112 Cb -0.01 -1.03 -0.04 0.00 -1.05 0.00 0.00 37.83 35.70 1wgs s LYS 112 CO 0.24 -0.71 -0.02 0.99 1.55 0.00 0.00 175.35 177.40 1wgs s THR 113 N 2.36 3.57 0.29 3.43 2.01 -1.26 -5.13 115.64 120.91 1wgs s THR 113 Ca 0.08 -1.57 -0.18 0.00 0.31 0.00 0.00 61.69 60.33 1wgs s THR 113 Cb -0.15 -2.81 0.07 0.00 0.01 0.00 0.00 72.50 69.61 1wgs s THR 113 CO -0.16 -0.17 0.92 -0.72 -0.69 0.00 0.00 174.62 173.81 1wgs s TYR 114 N -1.85 0.12 0.18 4.92 -0.85 -1.26 -5.19 117.35 113.43 1wgs s TYR 114 Ca 0.28 -0.68 -0.23 0.00 -0.52 0.00 0.00 57.07 55.91 1wgs s TYR 114 Cb -0.09 0.78 0.07 0.00 0.38 0.00 0.00 41.96 43.11 1wgs s TYR 114 CO 0.18 -1.27 1.00 0.00 -1.52 0.00 0.00 175.55 173.94 1wgs s ALA 115 N -2.08 -1.59 -0.23 9.51 0.00 -1.26 -5.14 121.76 120.97 1wgs s ALA 115 Ca 0.20 -0.15 -0.15 0.00 0.00 0.00 0.00 51.96 51.85 1wgs s ALA 115 Cb -0.04 0.70 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 1wgs s ALA 115 CO 0.09 -1.05 0.38 -1.83 0.00 0.00 0.00 175.76 173.34 1wgs s GLU 116 N -2.61 4.11 -0.12 0.00 -1.05 -1.26 -5.06 118.70 112.71 1wgs s GLU 116 Ca 0.18 0.12 -0.13 0.00 -0.15 0.00 0.00 54.97 54.99 1wgs s GLU 116 Cb -0.02 -3.58 -0.05 0.00 -0.44 0.00 0.00 34.13 30.04 1wgs s GLU 116 CO 0.04 -0.13 0.28 0.00 0.95 0.00 0.00 175.26 176.41 1wgs s MET 117 N 1.60 4.02 0.00 -4.83 0.23 -1.26 -5.03 119.30 114.03 1wgs s MET 117 Ca 0.17 0.11 0.00 0.00 -1.03 0.00 0.00 55.69 54.94 1wgs s MET 117 Cb -0.15 -3.33 0.00 0.00 -1.53 0.00 0.00 34.83 29.81 1wgs s MET 117 CO 0.08 0.44 0.00 -0.40 -2.03 0.00 0.00 175.02 173.12 1wgs n ASP 118 N 2.88 0.00 0.09 -1.18 5.68 -1.26 -5.08 116.55 117.68 1wgs n ASP 118 Ca -0.14 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.10 1wgs n ASP 118 Cb 0.53 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.48 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 -0.30 -2.16 0.11 0.13 -2.08 -3.49 132.00 124.20 1wgs h PRO 119 Ca 0.00 0.02 0.17 0.00 -0.87 0.00 0.00 66.00 65.32 1wgs h PRO 119 Cb 0.00 0.07 -0.12 0.00 0.13 0.00 0.00 31.00 31.08 1wgs h PRO 119 CO 0.00 -0.20 0.55 -0.08 -0.23 0.00 0.00 178.00 178.04 1wgs s THR 120 N -2.56 0.00 0.06 1.56 -1.32 -1.26 -5.18 115.64 106.93 1wgs s THR 120 Ca -0.05 -0.32 0.01 0.00 -1.21 0.00 0.00 61.69 60.12 1wgs s THR 120 Cb 0.00 -1.55 -0.03 0.00 -1.51 0.00 0.00 72.50 69.41 1wgs s THR 120 CO 0.14 0.00 -0.06 0.28 -2.21 0.00 0.00 174.62 172.77 1wgs s THR 121 N -3.07 0.47 0.00 5.08 -1.32 -1.26 -5.16 115.64 110.39 1wgs s THR 121 Ca 0.09 -1.51 0.00 0.00 -1.21 0.00 0.00 61.69 59.07 1wgs s THR 121 Cb -0.01 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 1wgs s THR 121 CO -0.03 -0.70 0.00 0.00 -2.21 0.00 0.00 174.62 171.68 1wgs n ALA 122 N 0.68 0.00 -3.00 11.08 0.00 -1.26 -5.19 120.51 122.82 1wgs n ALA 122 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1wgs n ALA 122 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1wgs n ALA 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgs n ALA 123 N -0.00 0.00 -3.64 0.00 0.00 -1.26 -5.18 120.51 110.43 1wgs n ALA 123 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.38 1wgs n ALA 123 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 -0.72 -0.26 0.00 2.34 -1.26 -5.14 118.68 113.65 1wgs s LEU 124 Ca 0.00 1.17 -0.02 0.00 0.06 0.00 0.00 54.13 55.34 1wgs s LEU 124 Cb 0.00 2.08 0.12 0.00 -0.56 0.00 0.00 46.19 47.83 1wgs s LEU 124 CO 0.00 -0.19 0.26 -0.70 -1.06 0.00 0.00 176.35 174.66 1wgs s GLU 125 N 1.35 0.26 0.01 1.48 2.12 -1.26 -5.14 118.70 117.53 1wgs s GLU 125 Ca -0.08 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.25 1wgs s GLU 125 Cb -0.04 -0.89 -0.03 0.00 0.26 0.00 0.00 34.13 33.42 1wgs s GLU 125 CO -0.16 -0.89 -0.11 0.21 -0.54 0.00 0.00 175.26 173.77 1wgs s LYS 126 N 2.33 2.41 -0.06 4.30 2.47 -1.26 -5.12 119.74 124.81 1wgs s LYS 126 Ca 0.09 -0.79 -0.02 0.00 -1.56 0.00 0.00 55.97 53.68 1wgs s LYS 126 Cb -0.15 -2.39 0.04 0.00 -1.46 0.00 0.00 37.83 33.87 1wgs s LYS 126 CO -0.26 0.59 0.11 -2.00 0.16 0.00 0.00 175.35 173.96 1wgs s GLU 127 N -1.31 0.02 0.06 4.03 2.56 -1.26 -5.15 118.70 117.66 1wgs s GLU 127 Ca 0.15 0.39 -0.04 0.00 0.00 0.00 0.00 54.97 55.48 1wgs s GLU 127 Cb -0.11 -0.27 -0.03 0.00 2.00 0.00 0.00 34.13 35.73 1wgs s GLU 127 CO 0.06 -0.23 0.05 0.45 -0.56 0.00 0.00 175.26 175.02 1wgs s SER 128 N 1.59 0.36 -0.30 -1.70 0.15 -1.26 -5.13 113.70 107.41 1wgs s SER 128 Ca -0.04 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 55.57 1wgs s SER 128 Cb -0.12 0.25 0.18 0.00 -1.71 0.00 0.00 66.02 64.62 1wgs s SER 128 CO -0.05 -0.65 1.16 -0.83 1.20 0.00 0.00 173.24 174.07 1wgs s GLY 129 N -2.90 -1.07 0.17 9.45 0.00 -1.26 -5.18 107.32 106.53 1wgs s GLY 129 Ca 0.07 2.13 -0.03 0.00 0.00 0.00 0.00 44.72 46.89 1wgs s GLY 129 CO -0.10 4.29 0.19 -1.55 0.00 0.00 0.00 173.10 175.92 1wgs n PRO 130 N 4.58 -0.76 -3.91 2.90 -0.04 -1.26 -5.11 135.00 131.40 1wgs n PRO 130 Ca 0.09 -0.29 -0.10 0.00 -0.04 0.00 0.00 63.50 63.16 1wgs n PRO 130 Cb 0.60 -0.23 -0.01 0.00 -0.04 0.00 0.00 33.50 33.82 1wgs n PRO 130 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgs s SER 131 N -1.86 0.13 0.16 3.54 0.15 -1.26 -5.19 113.70 109.38 1wgs s SER 131 Ca 0.11 -1.08 -0.25 0.00 0.70 0.00 0.00 55.95 55.44 1wgs s SER 131 Cb -0.01 0.74 0.06 0.00 -1.71 0.00 0.00 66.02 65.11 1wgs s SER 131 CO 0.08 -1.45 0.95 -0.55 1.20 0.00 0.00 173.24 173.47 1wgs s SER 132 N -3.07 -0.18 0.00 5.45 0.15 -1.26 -5.38 113.70 109.42 1wgs s SER 132 Ca 0.19 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.42 1wgs s SER 132 Cb -0.04 0.50 0.00 0.00 -1.71 0.00 0.00 66.02 64.78 1wgs s SER 132 CO 0.12 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.24