#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 4.65 -0.03 1.61 1.04 -1.26 -4.86 113.70 114.85 1wgs s SER 2 Ca 0.00 0.65 -0.29 0.00 0.48 0.00 0.00 55.95 56.79 1wgs s SER 2 Cb 0.00 -2.52 0.07 0.00 0.10 0.00 0.00 66.02 63.67 1wgs s SER 2 CO 0.00 -2.84 0.64 -0.94 0.98 0.00 0.00 173.24 171.08 1wgs s SER 3 N 10.64 -0.61 0.00 7.02 1.04 -1.26 -5.16 113.70 125.37 1wgs s SER 3 Ca 0.86 0.61 0.00 0.00 0.48 0.00 0.00 55.95 57.91 1wgs s SER 3 Cb -0.15 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1wgs s SER 3 CO 0.21 -0.62 0.00 0.61 0.98 0.00 0.00 173.24 174.42 1wgs n GLY 4 N 0.84 0.78 1.60 7.32 0.00 -1.26 -5.16 105.19 109.31 1wgs n GLY 4 Ca -0.19 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1wgs n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgs n SER 5 N 1.51 -8.56 -3.66 1.61 2.88 -1.26 -4.93 113.62 101.21 1wgs n SER 5 Ca 0.00 1.22 -0.28 0.00 -1.33 0.00 0.00 58.87 58.48 1wgs n SER 5 Cb 0.00 -4.61 -0.12 0.00 -0.75 0.00 0.00 64.21 58.74 1wgs n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1wgs s SER 6 N -2.86 3.25 -1.26 -3.46 0.01 -1.26 -5.00 113.70 103.13 1wgs s SER 6 Ca 0.00 -3.23 -0.06 0.00 1.31 0.00 0.00 55.95 53.97 1wgs s SER 6 Cb 0.00 -1.03 0.17 0.00 0.21 0.00 0.00 66.02 65.38 1wgs s SER 6 CO 0.00 -0.17 2.07 0.61 0.41 0.00 0.00 173.24 176.17 1wgs n GLY 7 N 2.73 5.14 3.72 3.44 0.00 -1.26 -4.96 105.19 113.99 1wgs n GLY 7 Ca 0.20 -2.17 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.04 2.71 0.75 1.61 2.02 -1.26 -5.11 118.70 118.37 1wgs s GLU 8 Ca 0.45 -0.75 -0.11 0.00 0.02 0.00 0.00 54.97 54.58 1wgs s GLU 8 Cb 0.14 -2.63 0.04 0.00 0.10 0.00 0.00 34.13 31.78 1wgs s GLU 8 CO -0.04 0.56 1.08 -1.25 0.02 0.00 0.00 175.26 175.63 1wgs s PRO 9 N -2.23 2.47 -0.15 0.39 0.04 -1.26 -5.02 135.00 129.24 1wgs s PRO 9 Ca 0.26 0.78 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1wgs s PRO 9 Cb -0.12 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.40 1wgs s PRO 9 CO 0.18 -1.39 -0.01 0.93 0.04 0.00 0.00 177.00 176.76 1wgs h GLU 10 N -0.92 0.00 0.00 4.56 5.08 -2.02 -3.50 114.58 117.78 1wgs h GLU 10 Ca -0.46 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 57.65 1wgs h GLU 10 Cb 1.24 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.43 1wgs h GLU 10 CO 0.58 0.26 -0.21 1.55 -1.00 0.00 0.00 179.01 180.19 1wgs n VAL 11 N -4.61 0.00 -3.56 3.13 3.14 -1.26 -5.16 118.33 110.00 1wgs n VAL 11 Ca -0.11 -1.42 -0.08 0.00 -2.96 0.00 0.00 64.34 59.78 1wgs n VAL 11 Cb 0.31 0.77 -0.03 0.00 -1.06 0.00 0.00 33.84 33.83 1wgs n VAL 11 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1wgs s THR 12 N -2.80 0.00 0.11 1.55 2.01 -1.26 -5.17 115.64 110.08 1wgs s THR 12 Ca 0.23 0.00 0.10 0.00 0.31 0.00 0.00 61.69 62.33 1wgs s THR 12 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.48 1wgs s THR 12 CO 0.16 0.00 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.19 1wgs s VAL 13 N -2.10 2.58 -0.06 3.82 1.01 -1.26 -5.03 120.40 119.37 1wgs s VAL 13 Ca 0.04 -1.56 0.05 0.00 0.00 0.00 0.00 61.98 60.51 1wgs s VAL 13 Cb -0.01 -2.15 -0.00 0.00 0.00 0.00 0.00 36.38 34.22 1wgs s VAL 13 CO -0.04 0.13 -0.21 -1.61 0.00 0.00 0.00 175.10 173.37 1wgs s GLU 14 N -1.99 2.32 0.50 2.72 2.02 -1.26 -5.13 118.70 117.88 1wgs s GLU 14 Ca 0.16 -0.77 -0.12 0.00 0.02 0.00 0.00 54.97 54.26 1wgs s GLU 14 Cb -0.10 -1.93 -0.06 0.00 0.10 0.00 0.00 34.13 32.14 1wgs s GLU 14 CO 0.08 0.28 0.90 0.42 0.02 0.00 0.00 175.26 176.96 1wgs s ILE 15 N 0.04 4.70 0.00 -1.63 -1.09 -1.26 -3.79 121.20 118.17 1wgs s ILE 15 Ca -0.07 0.83 0.00 0.00 -2.23 0.00 0.00 60.65 59.18 1wgs s ILE 15 Cb -0.14 -3.78 0.00 0.00 -1.58 0.00 0.00 42.46 36.97 1wgs s ILE 15 CO 0.04 -0.76 0.00 0.61 -1.23 0.00 0.00 174.94 173.60 1wgs n GLY 16 N -1.84 2.86 3.93 6.18 0.00 -0.95 -5.00 105.19 110.37 1wgs n GLY 16 Ca 0.04 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 -0.11 3.13 -0.07 1.61 8.01 -1.25 -4.83 118.70 125.19 1wgs s GLU 17 Ca 0.00 -0.19 -0.01 0.00 0.01 0.00 0.00 54.97 54.77 1wgs s GLU 17 Cb 0.00 -2.44 -0.03 0.00 -4.31 0.00 0.00 34.13 27.35 1wgs s GLU 17 CO 0.00 -0.37 0.01 0.99 0.01 0.00 0.00 175.26 175.90 1wgs s THR 18 N -2.72 4.38 0.20 3.63 2.01 -1.26 -1.72 115.64 120.17 1wgs s THR 18 Ca 0.49 -0.29 0.03 0.00 0.31 0.00 0.00 61.69 62.23 1wgs s THR 18 Cb -0.10 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.48 1wgs s THR 18 CO 0.41 0.55 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.57 1wgs s TYR 19 N -0.95 1.43 -0.36 4.92 1.51 0.15 -4.93 117.35 119.12 1wgs s TYR 19 Ca 0.15 -0.93 -0.24 0.00 -1.01 0.00 0.00 57.07 55.04 1wgs s TYR 19 Cb -0.11 -0.81 0.01 0.00 -0.11 0.00 0.00 41.96 40.94 1wgs s TYR 19 CO 0.05 -0.07 0.85 -0.51 -1.11 0.00 0.00 175.55 174.76 1wgs s LEU 20 N -3.25 4.07 -0.13 -1.29 2.01 -1.26 -0.05 118.68 118.77 1wgs s LEU 20 Ca 0.26 0.47 -0.06 0.00 0.01 0.00 0.00 54.13 54.80 1wgs s LEU 20 Cb 0.05 -3.14 -0.04 0.00 0.01 0.00 0.00 46.19 43.08 1wgs s LEU 20 CO 0.06 -0.79 0.11 0.00 1.01 0.00 0.00 176.35 176.74 1wgs s ARG 22 N -0.75 4.18 -0.12 0.00 3.52 -0.89 -0.05 118.95 124.85 1wgs s ARG 22 Ca 0.13 2.14 -0.05 0.00 -0.13 0.00 0.00 55.73 57.81 1wgs s ARG 22 Cb -0.12 -2.91 0.05 0.00 -1.56 0.00 0.00 34.95 30.41 1wgs s ARG 22 CO 0.03 -0.31 0.26 1.03 -0.81 0.00 0.00 175.30 175.50 1wgs s ARG 23 N -2.01 0.19 -0.92 5.12 0.52 -1.12 -4.83 118.95 115.90 1wgs s ARG 23 Ca 0.53 0.62 -0.07 0.00 -0.52 0.00 0.00 55.73 56.29 1wgs s ARG 23 Cb -0.38 -0.09 -0.10 0.00 0.52 0.00 0.00 34.95 34.90 1wgs s ARG 23 CO 0.49 -0.21 2.57 -0.35 0.02 0.00 0.00 175.30 177.83 1wgs n PRO 24 N 4.63 2.46 0.00 3.54 -0.04 -1.26 -3.55 135.00 140.78 1wgs n PRO 24 Ca -0.19 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.76 1wgs n PRO 24 Cb 0.52 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 1wgs n PRO 24 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1wgs n ASP 25 N 3.61 2.96 0.00 3.54 -0.08 -1.26 -5.03 116.55 120.29 1wgs n ASP 25 Ca 0.53 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.81 1wgs n ASP 25 Cb 0.30 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.76 1wgs n ASP 25 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 1wgs n SER 26 N -2.58 0.00 0.00 1.67 7.64 -1.23 -5.15 113.62 113.97 1wgs n SER 26 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1wgs n SER 26 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 1wgs n SER 26 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1wgs n THR 27 N -0.62 0.00 -3.63 0.44 5.66 -1.25 -5.09 114.28 109.79 1wgs n THR 27 Ca 0.00 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.72 1wgs n THR 27 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1wgs n THR 27 CO 0.00 0.00 0.00 0.26 -3.05 0.00 0.00 175.07 172.28 1wgs s TRP 28 N -0.33 3.48 -0.04 1.09 0.52 -1.26 -2.80 118.94 119.60 1wgs s TRP 28 Ca 0.00 0.40 0.04 0.00 0.02 0.00 0.00 56.10 56.55 1wgs s TRP 28 Cb 0.00 -1.90 -0.00 0.00 -1.15 0.00 0.00 33.47 30.42 1wgs s TRP 28 CO 0.00 0.34 -0.14 -1.01 0.02 0.00 0.00 176.95 176.16 1wgs s HIS 29 N -1.91 1.43 0.09 -1.98 3.76 0.93 -4.91 115.29 112.70 1wgs s HIS 29 Ca 0.39 -0.40 -0.31 0.00 -0.15 0.00 0.00 55.06 54.60 1wgs s HIS 29 Cb -0.11 -0.98 -0.08 0.00 1.11 0.00 0.00 32.58 32.52 1wgs s HIS 29 CO 0.29 -0.14 1.53 -1.12 -0.85 0.00 0.00 174.74 174.44 1wgs s SER 30 N 0.11 6.69 -0.01 1.40 0.01 -1.26 -0.19 113.70 120.45 1wgs s SER 30 Ca -0.04 2.42 0.01 0.00 1.31 0.00 0.00 55.95 59.65 1wgs s SER 30 Cb -0.11 -2.58 0.01 0.00 0.21 0.00 0.00 66.02 63.56 1wgs s SER 30 CO 0.02 -0.79 -0.01 0.00 0.41 0.00 0.00 173.24 172.86 1wgs s ALA 31 N 1.83 0.23 0.03 1.44 0.00 0.92 -4.05 121.76 122.15 1wgs s ALA 31 Ca 0.69 -0.00 -0.27 0.00 0.00 0.00 0.00 51.96 52.38 1wgs s ALA 31 Cb -0.39 -0.14 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1wgs s ALA 31 CO 0.31 0.01 0.85 -1.83 0.00 0.00 0.00 175.76 175.09 1wgs s GLU 32 N 0.31 4.55 -0.66 0.00 -1.05 0.14 -0.67 118.70 121.32 1wgs s GLU 32 Ca -0.03 1.20 -0.27 0.00 -0.15 0.00 0.00 54.97 55.73 1wgs s GLU 32 Cb -0.05 -3.40 0.03 0.00 -0.44 0.00 0.00 34.13 30.27 1wgs s GLU 32 CO -0.01 0.17 1.19 0.08 0.95 0.00 0.00 175.26 177.64 1wgs s VAL 33 N 0.30 3.94 0.04 1.83 1.01 -0.70 0.17 120.40 126.99 1wgs s VAL 33 Ca 0.43 0.52 -0.30 0.00 0.00 0.00 0.00 61.98 62.63 1wgs s VAL 33 Cb -0.21 -4.79 -0.17 0.00 0.00 0.00 0.00 36.38 31.21 1wgs s VAL 33 CO 0.25 -1.57 1.34 0.40 0.00 0.00 0.00 175.10 175.52 1wgs h ILE 34 N 6.07 0.00 -2.03 2.22 1.08 0.11 -2.52 117.51 122.45 1wgs h ILE 34 Ca -0.27 -0.10 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 1wgs h ILE 34 Cb 1.06 0.00 -0.00 0.00 -3.07 0.00 0.00 36.82 34.81 1wgs h ILE 34 CO 1.22 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 178.68 1wgs n GLN 35 N -5.22 0.02 -4.18 2.37 1.13 -1.21 -4.53 117.38 105.75 1wgs n GLN 35 Ca -0.14 -0.05 -0.11 0.00 -1.94 0.00 0.00 57.00 54.77 1wgs n GLN 35 Cb 0.43 0.05 -0.10 0.00 0.11 0.00 0.00 30.24 30.73 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 -1.04 1.01 0.20 1.08 1.04 -1.26 -1.55 113.70 113.19 1wgs s SER 36 Ca 0.00 -1.08 -0.23 0.00 0.48 0.00 0.00 55.95 55.12 1wgs s SER 36 Cb -0.00 0.13 0.05 0.00 0.10 0.00 0.00 66.02 66.30 1wgs s SER 36 CO 0.00 -0.54 0.82 0.00 0.98 0.00 0.00 173.24 174.50 1wgs s ARG 37 N -3.89 1.43 0.01 4.02 1.70 -0.72 -4.96 118.95 116.54 1wgs s ARG 37 Ca 0.16 -0.76 0.05 0.00 -0.47 0.00 0.00 55.73 54.72 1wgs s ARG 37 Cb 0.06 0.51 -0.02 0.00 -0.57 0.00 0.00 34.95 34.93 1wgs s ARG 37 CO -0.02 -0.65 -0.15 0.08 -1.08 0.00 0.00 175.30 173.48 1wgs s VAL 38 N -3.59 1.21 -0.28 4.99 1.01 -1.26 -1.75 120.40 120.73 1wgs s VAL 38 Ca 0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1wgs s VAL 38 Cb -0.03 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.30 1wgs s VAL 38 CO 0.02 0.20 0.06 0.21 0.00 0.00 0.00 175.10 175.58 1wgs s ASN 39 N -0.74 4.98 0.14 3.32 3.84 0.01 -4.96 114.94 121.53 1wgs s ASN 39 Ca 0.04 -0.65 -0.04 0.00 0.21 0.00 0.00 52.86 52.43 1wgs s ASN 39 Cb -0.07 -1.85 -0.04 0.00 -0.55 0.00 0.00 41.25 38.74 1wgs s ASN 39 CO 0.00 -0.15 1.35 -0.78 -2.79 0.00 0.00 177.10 174.73 1wgs h ASP 40 N 8.20 0.56 0.11 -4.21 3.58 -1.95 0.77 116.42 123.48 1wgs h ASP 40 Ca -0.33 -0.41 -0.00 0.00 0.42 0.00 0.00 57.03 56.71 1wgs h ASP 40 Cb 1.13 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 42.00 1wgs h ASP 40 CO 0.60 1.18 -0.18 1.56 -2.88 0.00 0.00 179.24 179.52 1wgs h GLN 41 N 0.28 -0.29 0.00 0.28 4.20 -1.97 -3.00 115.11 114.61 1wgs h GLN 41 Ca -0.06 0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 1wgs h GLN 41 Cb 1.45 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.28 1wgs h GLN 41 CO 0.15 -0.20 -0.69 0.93 -0.67 0.00 0.00 178.83 178.36 1wgs h GLU 42 N -0.30 0.00 -2.87 1.46 4.39 -2.00 -3.48 114.58 111.78 1wgs h GLU 42 Ca -0.01 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1wgs h GLU 42 Cb 0.28 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 28.98 1wgs h GLU 42 CO -0.06 0.69 -0.20 0.41 -1.16 0.00 0.00 179.01 178.69 1wgs n GLY 43 N 1.01 0.27 3.20 -3.84 0.00 0.26 -5.07 105.19 101.02 1wgs n GLY 43 Ca 0.01 -0.34 -0.12 0.00 0.00 0.00 0.00 46.02 45.56 1wgs n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wgs s ARG 44 N -4.45 1.16 0.27 1.61 0.52 -0.71 -4.97 118.95 112.38 1wgs s ARG 44 Ca 0.02 -1.60 0.03 0.00 -0.52 0.00 0.00 55.73 53.66 1wgs s ARG 44 Cb -0.01 0.21 -0.03 0.00 0.52 0.00 0.00 34.95 35.64 1wgs s ARG 44 CO 0.19 -0.35 0.41 -1.21 0.02 0.00 0.00 175.30 174.36 1wgs s GLU 45 N -4.12 3.46 0.08 3.54 2.02 -1.26 -0.81 118.70 121.61 1wgs s GLU 45 Ca 0.36 -0.61 -0.18 0.00 0.02 0.00 0.00 54.97 54.55 1wgs s GLU 45 Cb 0.07 -2.82 0.04 0.00 0.10 0.00 0.00 34.13 31.52 1wgs s GLU 45 CO 0.10 0.35 0.42 -1.21 0.02 0.00 0.00 175.26 174.94 1wgs s GLU 46 N -4.03 1.00 -0.07 1.61 2.02 -0.72 -4.69 118.70 113.82 1wgs s GLU 46 Ca 0.36 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.82 1wgs s GLU 46 Cb -0.09 0.44 0.04 0.00 0.10 0.00 0.00 34.13 34.62 1wgs s GLU 46 CO 0.31 -0.37 0.14 -0.06 0.02 0.00 0.00 175.26 175.30 1wgs s PHE 47 N -3.06 -0.15 -0.83 1.61 0.08 -0.33 -1.76 117.98 113.54 1wgs s PHE 47 Ca -0.02 0.52 -0.25 0.00 0.12 0.00 0.00 56.93 57.31 1wgs s PHE 47 Cb 0.00 -0.22 0.00 0.00 -0.57 0.00 0.00 43.02 42.23 1wgs s PHE 47 CO -0.07 -0.22 1.64 -0.47 -0.10 0.00 0.00 175.22 176.00 1wgs s TYR 48 N 1.88 2.08 -0.07 0.36 5.04 -0.59 -0.36 117.35 125.69 1wgs s TYR 48 Ca -0.01 0.11 -0.11 0.00 -2.44 0.00 0.00 57.07 54.61 1wgs s TYR 48 Cb -0.12 -4.37 -0.05 0.00 0.35 0.00 0.00 41.96 37.77 1wgs s TYR 48 CO -0.05 -2.00 0.29 0.14 -1.34 0.00 0.00 175.55 172.58 1wgs s VAL 49 N 7.46 5.25 -0.11 3.14 -7.23 -0.93 0.15 120.40 128.14 1wgs s VAL 49 Ca 0.55 0.55 -0.03 0.00 -1.81 0.00 0.00 61.98 61.24 1wgs s VAL 49 Cb -0.06 -3.58 -0.03 0.00 0.56 0.00 0.00 36.38 33.27 1wgs s VAL 49 CO 0.05 0.57 -0.00 -2.28 -0.31 0.00 0.00 175.10 173.13 1wgs s HIS 50 N -0.89 3.13 -1.10 2.82 2.46 0.45 -3.67 115.29 118.48 1wgs s HIS 50 Ca 0.19 0.07 -0.15 0.00 0.47 0.00 0.00 55.06 55.64 1wgs s HIS 50 Cb -0.14 -1.85 0.16 0.00 -0.13 0.00 0.00 32.58 30.62 1wgs s HIS 50 CO 0.08 0.32 1.31 0.71 -2.47 0.00 0.00 174.74 174.70 1wgs s TYR 51 N -0.49 3.39 0.12 3.88 2.02 -1.26 0.29 117.35 125.29 1wgs s TYR 51 Ca 0.09 -1.89 -0.33 0.00 -0.37 0.00 0.00 57.07 54.57 1wgs s TYR 51 Cb -0.12 -4.28 -0.18 0.00 -0.40 0.00 0.00 41.96 36.98 1wgs s TYR 51 CO 0.02 -1.41 0.77 1.33 -1.57 0.00 0.00 175.55 174.70 1wgs n VAL 52 N 4.87 1.13 0.00 0.71 0.24 -1.26 -1.36 118.33 122.66 1wgs n VAL 52 Ca 0.31 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.33 1wgs n VAL 52 Cb 0.45 -0.04 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 1wgs n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wgs n GLY 53 N 1.79 2.74 3.64 7.63 0.00 -1.26 -5.03 105.19 114.70 1wgs n GLY 53 Ca 0.19 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 1wgs n GLY 53 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1wgs s PHE 54 N 0.00 1.84 1.01 1.61 0.08 -0.46 -4.98 117.98 117.07 1wgs s PHE 54 Ca 0.00 1.40 -0.11 0.00 0.12 0.00 0.00 56.93 58.34 1wgs s PHE 54 Cb 0.00 -3.19 0.19 0.00 -0.57 0.00 0.00 43.02 39.46 1wgs s PHE 54 CO 0.00 -2.93 1.09 -0.80 -0.10 0.00 0.00 175.22 172.48 1wgs s ASN 55 N -2.94 2.28 0.32 1.36 0.01 -1.26 -4.90 114.94 109.82 1wgs s ASN 55 Ca 0.66 1.81 0.04 0.00 -0.71 0.00 0.00 52.86 54.66 1wgs s ASN 55 Cb -0.21 -2.41 0.56 0.00 0.41 0.00 0.00 41.25 39.60 1wgs s ASN 55 CO 0.59 -3.44 1.83 -0.09 -1.51 0.00 0.00 177.10 174.49 1wgs h ARG 56 N -2.10 0.47 -0.79 -0.60 9.65 -1.95 -2.18 114.38 116.89 1wgs h ARG 56 Ca -0.51 -0.13 0.21 0.00 -1.10 0.00 0.00 59.98 58.46 1wgs h ARG 56 Cb 1.29 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.78 1wgs h ARG 56 CO 0.47 0.58 0.56 0.07 2.80 0.00 0.00 179.97 184.45 1wgs h ARG 57 N 0.44 0.10 -3.24 0.20 0.11 -2.02 -2.74 114.38 107.24 1wgs h ARG 57 Ca 0.09 -0.01 -0.71 0.00 0.10 0.00 0.00 59.98 59.45 1wgs h ARG 57 Cb 0.45 -0.02 -0.05 0.00 1.11 0.00 0.00 29.97 31.46 1wgs h ARG 57 CO 0.02 0.07 3.10 1.28 0.10 0.00 0.00 179.97 184.54 1wgs n LEU 58 N -4.36 7.83 -3.76 0.08 4.77 -0.82 -4.83 117.00 115.92 1wgs n LEU 58 Ca 0.16 -4.47 -0.18 0.00 -0.03 0.00 0.00 56.01 51.50 1wgs n LEU 58 Cb 0.79 -1.53 -0.17 0.00 -2.33 0.00 0.00 43.42 40.19 1wgs n LEU 58 CO 0.36 1.73 -0.36 -1.81 -1.33 0.00 0.00 177.39 175.99 1wgs s ASP 59 N 1.83 0.58 0.29 -1.43 1.01 -1.04 -3.98 116.67 113.93 1wgs s ASP 59 Ca 0.56 0.02 -0.11 0.00 0.71 0.00 0.00 52.55 53.73 1wgs s ASP 59 Cb 0.16 -0.17 0.01 0.00 1.01 0.00 0.00 42.92 43.93 1wgs s ASP 59 CO -0.07 -0.16 0.53 -1.83 0.21 0.00 0.00 175.17 173.86 1wgs s GLU 60 N 1.41 1.72 0.31 8.23 -1.05 -1.24 -5.06 118.70 123.02 1wgs s GLU 60 Ca -0.05 -1.37 -0.08 0.00 -0.15 0.00 0.00 54.97 53.33 1wgs s GLU 60 Cb -0.13 0.49 -0.06 0.00 -0.44 0.00 0.00 34.13 33.99 1wgs s GLU 60 CO -0.03 -0.73 0.63 -1.58 0.95 0.00 0.00 175.26 174.50 1wgs s TRP 61 N -3.61 3.46 0.42 4.83 0.52 -1.26 -2.19 118.94 121.11 1wgs s TRP 61 Ca 0.23 0.85 0.05 0.00 0.02 0.00 0.00 56.10 57.24 1wgs s TRP 61 Cb -0.01 -2.26 -0.02 0.00 -1.15 0.00 0.00 33.47 30.02 1wgs s TRP 61 CO 0.12 0.10 0.16 1.33 0.02 0.00 0.00 176.95 178.68 1wgs n VAL 62 N -0.85 0.00 -4.11 4.03 0.24 0.51 -4.84 118.33 113.31 1wgs n VAL 62 Ca 0.00 -2.48 -0.23 0.00 -2.04 0.00 0.00 64.34 59.60 1wgs n VAL 62 Cb 0.54 0.92 -0.06 0.00 -1.47 0.00 0.00 33.84 33.76 1wgs n VAL 62 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1wgs s ASP 63 N -3.59 4.75 0.51 -1.34 1.11 -1.26 -1.18 116.67 115.67 1wgs s ASP 63 Ca 0.23 -0.70 0.23 0.00 0.18 0.00 0.00 52.55 52.49 1wgs s ASP 63 Cb 0.01 -0.80 1.36 0.00 1.07 0.00 0.00 42.92 44.56 1wgs s ASP 63 CO 0.16 -0.24 2.07 0.11 1.18 0.00 0.00 175.17 178.45 1wgs h LYS 64 N 1.57 0.00 -0.01 8.23 1.57 -1.92 -1.53 116.57 124.48 1wgs h LYS 64 Ca -0.44 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.19 1wgs h LYS 64 Cb 1.25 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.57 1wgs h LYS 64 CO 0.62 0.12 -0.57 -0.97 -0.57 0.00 0.00 179.45 178.09 1wgs h ASN 65 N 0.00 0.52 0.24 0.86 -0.73 -1.98 -3.09 115.58 111.39 1wgs h ASN 65 Ca -0.00 -0.75 -0.01 0.00 1.87 0.00 0.00 56.30 57.41 1wgs h ASN 65 Cb 0.28 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.71 1wgs h ASN 65 CO 0.02 1.20 -0.03 0.03 -0.37 0.00 0.00 177.43 178.27 1wgs h ARG 66 N -0.11 0.00 -7.08 6.67 3.08 -1.78 -3.43 114.38 111.73 1wgs h ARG 66 Ca -0.07 0.00 -0.46 0.00 0.07 0.00 0.00 59.98 59.52 1wgs h ARG 66 Cb 1.28 0.00 0.07 0.00 0.08 0.00 0.00 29.97 31.40 1wgs h ARG 66 CO 0.11 0.03 0.09 -0.51 -1.07 0.00 0.00 179.97 178.63 1wgs s LEU 67 N -6.80 3.03 -0.37 3.04 1.43 -0.64 -2.08 118.68 116.28 1wgs s LEU 67 Ca -0.04 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.85 1wgs s LEU 67 Cb 0.13 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 44.08 1wgs s LEU 67 CO 0.51 -1.67 0.14 0.00 0.23 0.00 0.00 176.35 175.56 1wgs s ALA 68 N -3.07 3.07 -0.42 4.21 0.00 -1.06 -4.94 121.76 119.55 1wgs s ALA 68 Ca 0.63 -2.09 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 1wgs s ALA 68 Cb -0.07 -2.31 0.11 0.00 0.00 0.00 0.00 23.12 20.85 1wgs s ALA 68 CO 0.43 -1.54 0.20 -0.51 0.00 0.00 0.00 175.76 174.35 1wgs s LEU 69 N 1.29 5.20 0.26 0.00 1.43 -1.26 -4.72 118.68 120.88 1wgs s LEU 69 Ca 0.02 -2.10 0.00 0.00 -1.03 0.00 0.00 54.13 51.02 1wgs s LEU 69 Cb -0.21 -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 0.00 176.35 176.47 1wgs n THR 70 N 4.49 0.00 -2.20 5.49 -1.04 -1.26 -4.26 114.28 115.50 1wgs n THR 70 Ca -0.01 0.17 -0.34 0.00 -2.04 0.00 0.00 64.05 61.84 1wgs n THR 70 Cb 0.41 -0.47 -0.04 0.00 -1.82 0.00 0.00 70.33 68.41 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 -3.34 2.16 0.00 -2.82 0.00 -1.26 -4.34 118.16 108.56 1wgs n LYS 71 Ca -0.01 -2.72 0.00 0.00 -0.00 0.00 0.00 58.31 55.58 1wgs n LYS 71 Cb 0.40 -3.62 0.00 0.00 -0.00 0.00 0.00 35.03 31.81 1wgs n LYS 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 1wgs n THR 72 N 7.22 0.00 0.08 0.58 -1.04 -1.26 -4.88 114.28 114.98 1wgs n THR 72 Ca 0.47 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.56 1wgs n THR 72 Cb 0.46 -0.61 -0.03 0.00 -1.82 0.00 0.00 70.33 68.33 1wgs n THR 72 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 1wgs n VAL 73 N -2.11 0.77 -1.56 12.58 0.24 -1.26 -4.79 118.33 122.20 1wgs n VAL 73 Ca 0.00 -0.59 -0.32 0.00 -2.04 0.00 0.00 64.34 61.38 1wgs n VAL 73 Cb 0.00 -0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 31.89 1wgs n VAL 73 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 1wgs s LYS 74 N -3.24 2.01 0.80 7.34 -0.14 -1.26 -4.88 119.74 120.38 1wgs s LYS 74 Ca -0.01 1.26 -0.17 0.00 -1.36 0.00 0.00 55.97 55.69 1wgs s LYS 74 Cb 0.09 -4.62 -0.13 0.00 -1.68 0.00 0.00 37.83 31.50 1wgs s LYS 74 CO 0.80 -3.48 -0.37 -0.25 -0.76 0.00 0.00 175.35 171.29 1wgs n ASP 75 N 16.39 -4.53 -1.63 2.83 8.00 -1.26 -4.55 116.55 131.80 1wgs n ASP 75 Ca 0.38 0.39 0.00 0.00 0.71 0.00 0.00 54.79 56.27 1wgs n ASP 75 Cb 0.53 -0.86 0.00 0.00 -0.02 0.00 0.00 41.12 40.77 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 -2.22 -2.20 -1.09 2.24 0.00 -1.26 -4.68 120.51 111.30 1wgs n ALA 76 Ca 0.03 0.40 -0.20 0.00 0.00 0.00 0.00 53.44 53.67 1wgs n ALA 76 Cb 0.52 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 0.71 2.96 -0.99 0.00 0.24 -1.26 -4.96 118.33 115.04 1wgs n VAL 77 Ca 0.00 -2.08 0.08 0.00 -2.04 0.00 0.00 64.34 60.29 1wgs n VAL 77 Cb 0.00 -1.44 -0.04 0.00 -1.47 0.00 0.00 33.84 30.89 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 0.56 -2.41 -3.27 7.34 6.02 -1.26 -5.00 117.38 119.36 1wgs n GLN 78 Ca 0.37 1.94 -0.04 0.00 -0.01 0.00 0.00 57.00 59.25 1wgs n GLN 78 Cb 0.58 -2.63 -0.05 0.00 1.02 0.00 0.00 30.24 29.16 1wgs n GLN 78 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 1wgs s LYS 79 N -4.25 0.43 0.00 -1.09 2.20 -1.26 -5.11 119.74 110.65 1wgs s LYS 79 Ca 0.00 0.69 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 1wgs s LYS 79 Cb 0.00 -0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.23 1wgs s LYS 79 CO 0.00 -0.66 0.00 0.09 -0.36 0.00 0.00 175.35 174.42 1wgs n ASN 80 N 5.39 0.00 -4.46 1.43 4.13 -1.26 -5.11 115.26 115.39 1wgs n ASN 80 Ca -0.02 0.00 -0.63 0.00 1.68 0.00 0.00 54.58 55.60 1wgs n ASN 80 Cb 0.50 0.00 -0.11 0.00 -1.54 0.00 0.00 39.78 38.63 1wgs n ASN 80 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1wgs n SER 81 N 0.00 0.96 -4.80 6.41 7.64 -1.26 -4.90 113.62 117.67 1wgs n SER 81 Ca 0.00 0.89 -0.23 0.00 1.01 0.00 0.00 58.87 60.54 1wgs n SER 81 Cb 0.00 -0.90 0.08 0.00 -1.01 0.00 0.00 64.21 62.38 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 4.77 2.01 -0.30 1.43 2.02 -1.26 -5.11 118.70 122.26 1wgs s GLU 82 Ca 1.14 -0.90 -0.16 0.00 0.02 0.00 0.00 54.97 55.07 1wgs s GLU 82 Cb -1.49 -2.36 0.18 0.00 0.10 0.00 0.00 34.13 30.55 1wgs s GLU 82 CO 0.72 -1.19 1.16 0.21 0.02 0.00 0.00 175.26 176.18 1wgs s LYS 83 N -5.04 0.08 0.21 1.61 2.36 -1.26 -5.18 119.74 112.53 1wgs s LYS 83 Ca 0.63 0.13 -0.23 0.00 -2.55 0.00 0.00 55.97 53.95 1wgs s LYS 83 Cb -0.08 0.07 0.05 0.00 -1.05 0.00 0.00 37.83 36.82 1wgs s LYS 83 CO 0.42 -0.10 0.88 -0.47 1.55 0.00 0.00 175.35 177.63 1wgs s TYR 84 N 2.98 -0.12 -0.09 4.03 6.14 -1.26 -5.12 117.35 123.91 1wgs s TYR 84 Ca 0.01 -0.27 -0.35 0.00 0.64 0.00 0.00 57.07 57.10 1wgs s TYR 84 Cb -0.07 0.68 -0.17 0.00 0.42 0.00 0.00 41.96 42.82 1wgs s TYR 84 CO -0.11 -1.02 1.00 -0.11 0.64 0.00 0.00 175.55 175.95 1wgs n LEU 85 N -0.49 0.21 -4.55 6.97 0.00 -1.26 -4.85 117.00 113.04 1wgs n LEU 85 Ca -0.05 0.99 -0.29 0.00 0.00 0.00 0.00 56.01 56.66 1wgs n LEU 85 Cb 0.60 -0.77 0.23 0.00 0.00 0.00 0.00 43.42 43.47 1wgs n LEU 85 CO 0.15 -1.43 0.57 -0.94 0.00 0.00 0.00 177.39 175.73 1wgs s SER 86 N 0.53 1.56 -0.04 1.96 1.04 -1.26 -5.04 113.70 112.45 1wgs s SER 86 Ca 0.80 1.65 -0.00 0.00 0.48 0.00 0.00 55.95 58.87 1wgs s SER 86 Cb -1.12 -2.34 0.03 0.00 0.10 0.00 0.00 66.02 62.69 1wgs s SER 86 CO 0.53 -3.86 0.01 -1.61 0.98 0.00 0.00 173.24 169.29 1wgs s GLU 87 N -4.55 0.35 -0.29 4.02 2.02 -1.26 -5.13 118.70 113.87 1wgs s GLU 87 Ca 0.68 0.11 -0.29 0.00 0.02 0.00 0.00 54.97 55.49 1wgs s GLU 87 Cb -0.24 -0.62 0.19 0.00 0.10 0.00 0.00 34.13 33.56 1wgs s GLU 87 CO 0.62 -0.20 1.37 -1.17 0.02 0.00 0.00 175.26 175.91 1wgs s LEU 88 N 1.39 -0.03 0.00 1.80 1.98 -1.26 -5.19 118.68 117.37 1wgs s LEU 88 Ca -0.04 0.03 -0.01 0.00 -2.89 0.00 0.00 54.13 51.21 1wgs s LEU 88 Cb -0.13 1.06 0.01 0.00 0.66 0.00 0.00 46.19 47.79 1wgs s LEU 88 CO -0.03 -0.03 0.10 0.00 -1.89 0.00 0.00 176.35 174.51 1wgs n ALA 89 N 0.50 -0.18 -2.67 5.97 0.00 -1.26 -5.11 120.51 117.76 1wgs n ALA 89 Ca 0.00 -0.23 -0.43 0.00 0.00 0.00 0.00 53.44 52.78 1wgs n ALA 89 Cb 0.59 0.19 -0.04 0.00 0.00 0.00 0.00 19.45 20.19 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 -2.07 3.29 1.05 0.00 2.12 -1.26 -5.02 118.70 116.81 1wgs s GLU 90 Ca 0.04 -0.32 -0.12 0.00 0.36 0.00 0.00 54.97 54.93 1wgs s GLU 90 Cb -0.00 -4.10 0.22 0.00 0.26 0.00 0.00 34.13 30.51 1wgs s GLU 90 CO 0.03 -1.64 1.07 -0.65 -0.54 0.00 0.00 175.26 173.52 1wgs s GLN 91 N 4.27 0.01 0.11 4.30 -0.21 -1.26 -4.95 119.66 121.93 1wgs s GLN 91 Ca 0.31 0.87 -0.30 0.00 0.02 0.00 0.00 55.36 56.25 1wgs s GLN 91 Cb -0.12 -1.66 -0.06 0.00 1.00 0.00 0.00 33.01 32.16 1wgs s GLN 91 CO 0.18 -3.11 1.14 -1.25 -2.12 0.00 0.00 175.29 170.13 1wgs s PRO 92 N -4.68 4.51 0.46 2.91 0.04 -1.26 -5.04 135.00 131.94 1wgs s PRO 92 Ca 0.67 1.73 0.08 0.00 0.04 0.00 0.00 61.00 63.52 1wgs s PRO 92 Cb -0.22 -3.32 0.02 0.00 0.04 0.00 0.00 34.50 31.02 1wgs s PRO 92 CO 0.61 -0.09 0.53 -1.83 0.04 0.00 0.00 177.00 176.26 1wgs s GLU 93 N 0.37 2.57 0.13 4.56 -1.05 -1.26 -5.14 118.70 118.88 1wgs s GLU 93 Ca 0.54 -1.49 0.07 0.00 -0.15 0.00 0.00 54.97 53.93 1wgs s GLU 93 Cb -0.29 -2.55 -0.04 0.00 -0.44 0.00 0.00 34.13 30.82 1wgs s GLU 93 CO 0.32 -0.39 -0.16 0.50 0.95 0.00 0.00 175.26 176.48 1wgs s ARG 94 N -4.33 1.09 -0.22 -4.83 3.52 -1.26 -5.13 118.95 107.78 1wgs s ARG 94 Ca 0.52 -1.26 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1wgs s ARG 94 Cb -0.06 -1.05 0.02 0.00 -1.56 0.00 0.00 34.95 32.30 1wgs s ARG 94 CO 0.31 0.21 -0.10 0.21 -0.81 0.00 0.00 175.30 175.13 1wgs s LYS 95 N -2.59 3.01 1.13 5.12 2.20 -1.26 -5.11 119.74 122.24 1wgs s LYS 95 Ca 0.10 -0.85 -0.13 0.00 -0.36 0.00 0.00 55.97 54.73 1wgs s LYS 95 Cb -0.06 -2.87 0.27 0.00 -1.51 0.00 0.00 37.83 33.66 1wgs s LYS 95 CO 0.04 -0.30 1.04 -1.50 -0.36 0.00 0.00 175.35 174.28 1wgs s ILE 96 N 1.35 2.01 -0.03 5.43 2.07 -1.26 -5.06 121.20 125.71 1wgs s ILE 96 Ca 0.03 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.25 1wgs s ILE 96 Cb -0.15 -2.19 0.01 0.00 0.13 0.00 0.00 42.46 40.26 1wgs s ILE 96 CO -0.07 -0.00 0.07 -0.89 -1.91 0.00 0.00 174.94 172.14 1wgs s THR 97 N -2.60 -0.00 -0.03 4.00 2.01 -1.26 -5.16 115.64 112.60 1wgs s THR 97 Ca 0.68 0.01 -0.11 0.00 0.31 0.00 0.00 61.69 62.58 1wgs s THR 97 Cb -0.23 -0.11 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1wgs s THR 97 CO 0.63 0.00 0.24 -0.60 -0.69 0.00 0.00 174.62 174.20 1wgs s ARG 98 N 0.07 0.50 0.26 4.92 3.52 -1.26 -5.17 118.95 121.80 1wgs s ARG 98 Ca -0.00 -0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.50 1wgs s ARG 98 Cb -0.01 0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 33.55 1wgs s ARG 98 CO -0.00 -0.12 0.10 0.54 -0.81 0.00 0.00 175.30 175.01 1wgs s ASN 99 N -0.94 1.23 0.07 -2.12 2.20 -1.26 -5.17 114.94 108.95 1wgs s ASN 99 Ca -0.10 -1.40 -0.13 0.00 -0.94 0.00 0.00 52.86 50.29 1wgs s ASN 99 Cb -0.05 0.18 0.02 0.00 -2.00 0.00 0.00 41.25 39.40 1wgs s ASN 99 CO 0.02 -0.74 0.31 -1.58 -2.94 0.00 0.00 177.10 172.17 1wgs s GLN 100 N -4.02 0.89 0.23 3.55 0.74 -1.26 -5.18 119.66 114.61 1wgs s GLN 100 Ca 0.38 -0.65 0.01 0.00 0.05 0.00 0.00 55.36 55.14 1wgs s GLN 100 Cb 0.08 0.38 -0.04 0.00 1.10 0.00 0.00 33.01 34.53 1wgs s GLN 100 CO 0.14 -0.30 0.15 0.21 -0.55 0.00 0.00 175.29 174.94 1wgs s LYS 101 N -3.16 1.33 0.17 1.67 2.20 -1.26 -5.18 119.74 115.51 1wgs s LYS 101 Ca -0.01 -1.72 -0.23 0.00 -0.36 0.00 0.00 55.97 53.65 1wgs s LYS 101 Cb 0.01 0.20 0.06 0.00 -1.51 0.00 0.00 37.83 36.60 1wgs s LYS 101 CO -0.07 -0.42 0.65 0.50 -0.36 0.00 0.00 175.35 175.64 1wgs s ARG 102 N -4.02 1.32 0.27 4.03 3.00 -1.26 -5.19 118.95 117.10 1wgs s ARG 102 Ca 0.39 -0.54 -0.02 0.00 -1.00 0.00 0.00 55.73 54.55 1wgs s ARG 102 Cb 0.06 0.57 -0.02 0.00 0.00 0.00 0.00 34.95 35.57 1wgs s ARG 102 CO 0.15 -0.59 0.31 -1.59 0.00 0.00 0.00 175.30 173.58 1wgs s LYS 103 N -3.72 1.54 0.17 5.12 -2.85 -1.26 -5.18 119.74 113.56 1wgs s LYS 103 Ca 0.03 -1.65 -0.21 0.00 -1.00 0.00 0.00 55.97 53.14 1wgs s LYS 103 Cb -0.02 0.36 0.05 0.00 -2.06 0.00 0.00 37.83 36.17 1wgs s LYS 103 CO -0.09 -0.59 0.57 -1.01 0.10 0.00 0.00 175.35 174.33 1wgs s HIS 104 N -3.74 -0.39 0.19 1.78 3.76 -1.26 -5.18 115.29 110.44 1wgs s HIS 104 Ca 0.34 0.12 -0.19 0.00 -0.15 0.00 0.00 55.06 55.19 1wgs s HIS 104 Cb 0.03 0.51 0.04 0.00 1.11 0.00 0.00 32.58 34.26 1wgs s HIS 104 CO 0.16 -0.88 0.54 -0.51 -0.85 0.00 0.00 174.74 173.20 1wgs s ASP 105 N -2.79 -0.31 -0.08 1.40 1.01 -1.26 -5.17 116.67 109.47 1wgs s ASP 105 Ca 0.04 -0.39 -0.05 0.00 0.71 0.00 0.00 52.55 52.85 1wgs s ASP 105 Cb -0.01 0.58 0.03 0.00 1.01 0.00 0.00 42.92 44.53 1wgs s ASP 105 CO -0.09 -1.04 0.19 -0.70 0.21 0.00 0.00 175.17 173.74 1wgs s GLU 106 N -3.85 0.18 0.99 8.23 2.12 -1.26 -5.16 118.70 119.95 1wgs s GLU 106 Ca 0.07 0.34 -0.15 0.00 0.36 0.00 0.00 54.97 55.59 1wgs s GLU 106 Cb -0.01 -0.01 0.19 0.00 0.26 0.00 0.00 34.13 34.56 1wgs s GLU 106 CO -0.05 -0.09 1.21 0.96 -0.54 0.00 0.00 175.26 176.75 1wgs s ILE 107 N 0.59 1.91 -0.09 -3.70 -5.25 -1.26 -5.09 121.20 108.31 1wgs s ILE 107 Ca -0.04 0.00 -0.09 0.00 -0.99 0.00 0.00 60.65 59.53 1wgs s ILE 107 Cb -0.06 -2.81 0.02 0.00 2.95 0.00 0.00 42.46 42.56 1wgs s ILE 107 CO -0.03 0.00 0.26 0.54 -1.79 0.00 0.00 174.94 173.92 1wgs s ASN 108 N -4.40 -0.25 0.03 4.36 4.22 -1.26 -5.16 114.94 112.47 1wgs s ASN 108 Ca 0.69 0.47 -0.13 0.00 -2.14 0.00 0.00 52.86 51.75 1wgs s ASN 108 Cb -0.09 0.51 0.02 0.00 1.28 0.00 0.00 41.25 42.96 1wgs s ASN 108 CO 0.53 -0.12 0.28 -2.28 -2.04 0.00 0.00 177.10 173.47 1wgs s HIS 109 N 0.00 -0.09 0.00 1.54 2.46 -1.26 -5.18 115.29 112.77 1wgs s HIS 109 Ca -0.01 -0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.51 1wgs s HIS 109 Cb -0.02 0.06 0.00 0.00 -0.13 0.00 0.00 32.58 32.49 1wgs s HIS 109 CO 0.01 -0.45 0.00 1.33 -2.47 0.00 0.00 174.74 173.15 1wgs n VAL 110 N 0.80 0.00 -4.13 0.89 0.24 -1.26 -5.17 118.33 109.70 1wgs n VAL 110 Ca -0.20 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.04 1wgs n VAL 110 Cb 0.58 -0.13 -0.02 0.00 -1.47 0.00 0.00 33.84 32.81 1wgs n VAL 110 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1wgs n GLN 111 N -0.03 1.02 -3.61 7.34 -0.00 -1.26 -5.18 117.38 115.66 1wgs n GLN 111 Ca 0.00 -0.84 -0.09 0.00 -0.00 0.00 0.00 57.00 56.08 1wgs n GLN 111 Cb 0.00 0.41 -0.02 0.00 -0.00 0.00 0.00 30.24 30.63 1wgs n GLN 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 1wgs s LYS 112 N -2.38 1.35 0.14 2.61 0.00 -1.26 -5.19 119.74 115.02 1wgs s LYS 112 Ca 0.04 -0.63 -0.13 0.00 0.00 0.00 0.00 55.97 55.25 1wgs s LYS 112 Cb 0.00 0.54 0.02 0.00 0.00 0.00 0.00 37.83 38.39 1wgs s LYS 112 CO 0.03 -0.61 0.36 0.95 0.00 0.00 0.00 175.35 176.08 1wgs s THR 113 N -3.65 0.07 -0.21 3.79 -4.23 -1.26 -5.18 115.64 104.98 1wgs s THR 113 Ca 0.06 -0.93 -0.36 0.00 -1.18 0.00 0.00 61.69 59.28 1wgs s THR 113 Cb -0.03 -1.46 0.15 0.00 1.34 0.00 0.00 72.50 72.50 1wgs s THR 113 CO -0.04 -0.33 1.31 -0.47 -0.54 0.00 0.00 174.62 174.55 1wgs s TYR 114 N -3.87 -0.06 0.31 3.99 6.14 -1.26 -5.19 117.35 117.41 1wgs s TYR 114 Ca 0.08 0.03 -0.18 0.00 0.64 0.00 0.00 57.07 57.64 1wgs s TYR 114 Cb 0.02 0.51 0.06 0.00 0.42 0.00 0.00 41.96 42.98 1wgs s TYR 114 CO -0.07 -0.12 0.89 0.00 0.64 0.00 0.00 175.55 176.89 1wgs s ALA 115 N -2.23 -1.06 -0.14 3.97 0.00 -1.26 -5.15 121.76 115.89 1wgs s ALA 115 Ca 0.11 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.45 1wgs s ALA 115 Cb 0.00 0.71 0.04 0.00 0.00 0.00 0.00 23.12 23.87 1wgs s ALA 115 CO -0.04 -1.02 -0.04 -1.83 0.00 0.00 0.00 175.76 172.84 1wgs s GLU 116 N -2.19 1.24 0.27 0.00 -1.05 -1.26 -5.13 118.70 110.58 1wgs s GLU 116 Ca 0.18 -0.34 -0.03 0.00 -0.15 0.00 0.00 54.97 54.63 1wgs s GLU 116 Cb -0.04 -1.75 -0.05 0.00 -0.44 0.00 0.00 34.13 31.85 1wgs s GLU 116 CO 0.09 -0.39 0.50 -1.64 0.95 0.00 0.00 175.26 174.77 1wgs s MET 117 N 1.73 3.58 0.37 -4.83 -1.94 -1.26 -5.07 119.30 111.88 1wgs s MET 117 Ca 0.02 -0.14 -0.26 0.00 -1.71 0.00 0.00 55.69 53.60 1wgs s MET 117 Cb -0.14 -2.71 -0.09 0.00 2.01 0.00 0.00 34.83 33.90 1wgs s MET 117 CO -0.07 0.26 1.15 0.34 -0.01 0.00 0.00 175.02 176.69 1wgs s ASP 118 N -3.27 6.74 -0.06 3.03 -1.08 -1.26 -4.98 116.67 115.79 1wgs s ASP 118 Ca 0.42 2.33 -0.10 0.00 -0.52 0.00 0.00 52.55 54.68 1wgs s ASP 118 Cb -0.11 -2.62 -0.05 0.00 -1.46 0.00 0.00 42.92 38.68 1wgs s ASP 118 CO 0.30 -0.52 0.40 1.55 0.52 0.00 0.00 175.17 177.42 1wgs h PRO 119 N 2.95 -0.33 -1.81 4.34 0.13 -2.08 -3.49 132.00 131.72 1wgs h PRO 119 Ca -0.48 0.02 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1wgs h PRO 119 Cb 1.23 0.07 -0.20 0.00 0.13 0.00 0.00 31.00 32.23 1wgs h PRO 119 CO 0.64 -0.21 0.49 -0.08 -0.23 0.00 0.00 178.00 178.61 1wgs s THR 120 N -2.66 0.00 -0.06 1.56 -1.32 -1.26 -5.18 115.64 106.72 1wgs s THR 120 Ca -0.05 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.14 1wgs s THR 120 Cb 0.00 -1.00 0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1wgs s THR 120 CO 0.15 0.00 0.65 0.28 -2.21 0.00 0.00 174.62 173.49 1wgs s THR 121 N -1.69 0.00 0.01 5.08 -1.32 -1.26 -5.18 115.64 111.29 1wgs s THR 121 Ca -0.01 -0.04 -0.28 0.00 -1.21 0.00 0.00 61.69 60.15 1wgs s THR 121 Cb -0.01 -0.96 0.09 0.00 -1.51 0.00 0.00 72.50 70.11 1wgs s THR 121 CO -0.00 -0.02 1.25 0.00 -2.21 0.00 0.00 174.62 173.63 1wgs s ALA 122 N -1.12 -2.34 0.06 11.08 0.00 -1.26 -5.19 121.76 122.99 1wgs s ALA 122 Ca -0.11 -0.01 0.01 0.00 0.00 0.00 0.00 51.96 51.85 1wgs s ALA 122 Cb -0.01 0.87 -0.00 0.00 0.00 0.00 0.00 23.12 23.98 1wgs s ALA 122 CO 0.09 -1.14 0.06 0.00 0.00 0.00 0.00 175.76 174.78 1wgs n ALA 123 N -0.87 0.09 -2.00 0.00 0.00 -1.26 -5.16 120.51 111.31 1wgs n ALA 123 Ca 0.03 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.11 1wgs n ALA 123 Cb 0.59 0.29 0.00 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.65 0.00 -0.00 -1.26 -5.17 117.00 106.92 1wgs n LEU 124 Ca 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 56.01 55.99 1wgs n LEU 124 Cb 0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.47 1wgs n LEU 124 CO 0.06 0.00 1.13 -0.70 -0.00 0.00 0.00 177.39 177.88 1wgs s GLU 125 N 1.99 0.10 -0.14 1.47 2.12 -1.26 -5.16 118.70 117.82 1wgs s GLU 125 Ca 0.00 0.11 -0.07 0.00 0.36 0.00 0.00 54.97 55.36 1wgs s GLU 125 Cb 0.00 0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.40 1wgs s GLU 125 CO 0.00 -0.01 0.12 0.21 -0.54 0.00 0.00 175.26 175.04 1wgs s LYS 126 N -0.04 3.60 -0.29 4.30 2.20 -1.26 -5.08 119.74 123.17 1wgs s LYS 126 Ca 0.07 -0.19 -0.24 0.00 -0.36 0.00 0.00 55.97 55.26 1wgs s LYS 126 Cb -0.05 -3.21 0.14 0.00 -1.51 0.00 0.00 37.83 33.21 1wgs s LYS 126 CO -0.14 0.64 1.10 -2.00 -0.36 0.00 0.00 175.35 174.58 1wgs s GLU 127 N -0.63 0.40 -0.30 4.03 2.56 -1.26 -5.17 118.70 118.34 1wgs s GLU 127 Ca 0.13 0.51 -0.16 0.00 0.00 0.00 0.00 54.97 55.44 1wgs s GLU 127 Cb -0.12 0.18 0.21 0.00 2.00 0.00 0.00 34.13 36.40 1wgs s GLU 127 CO 0.02 -0.05 1.24 0.45 -0.56 0.00 0.00 175.26 176.36 1wgs s SER 128 N 0.36 -0.09 0.00 -1.70 0.15 -1.26 -5.14 113.70 106.02 1wgs s SER 128 Ca 0.02 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1wgs s SER 128 Cb -0.05 1.04 0.00 0.00 -1.71 0.00 0.00 66.02 65.30 1wgs s SER 128 CO -0.09 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 174.94 1wgs n GLY 129 N 3.18 -0.19 2.53 9.45 0.00 -1.26 -5.18 105.19 113.73 1wgs n GLY 129 Ca -0.17 0.69 -0.20 0.00 0.00 0.00 0.00 46.02 46.33 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 -1.67 -3.88 1.61 -0.04 -1.26 -5.11 135.00 124.65 1wgs n PRO 130 Ca 0.00 -1.31 -0.09 0.00 -0.04 0.00 0.00 63.50 62.06 1wgs n PRO 130 Cb 0.00 -1.03 -0.01 0.00 -0.04 0.00 0.00 33.50 32.42 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 -3.94 0.05 0.41 3.54 0.15 -1.26 -5.14 113.70 107.50 1wgs s SER 131 Ca 0.50 -1.03 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1wgs s SER 131 Cb -0.03 0.76 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1wgs s SER 131 CO 0.37 -1.48 0.00 -0.24 1.20 0.00 0.00 173.24 173.08 1wgs n SER 132 N -1.04 -6.09 0.00 5.45 2.88 -1.26 -5.37 113.62 108.19 1wgs n SER 132 Ca -0.05 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1wgs n SER 132 Cb 0.60 -3.25 0.00 0.00 -0.75 0.00 0.00 64.21 60.81 1wgs n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42