#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wgr s SER 2 N 0.00 5.24 0.39 1.61 0.01 -1.26 -4.94 113.70 114.75 1wgr s SER 2 Ca 0.00 0.06 0.00 0.00 1.31 0.00 0.00 55.95 57.32 1wgr s SER 2 Cb 0.00 -1.42 0.00 0.00 0.21 0.00 0.00 66.02 64.81 1wgr s SER 2 CO 0.00 0.31 0.00 -1.54 0.41 0.00 0.00 173.24 172.42 1wgr n SER 3 N 1.57 -3.11 0.00 2.44 3.41 -1.26 -5.12 113.62 111.55 1wgr n SER 3 Ca -0.15 0.74 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1wgr n SER 3 Cb 0.53 2.97 0.00 0.00 -0.26 0.00 0.00 64.21 67.45 1wgr n SER 3 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1wgr n GLY 4 N -0.93 -2.45 2.42 5.00 0.00 -1.26 -5.13 105.19 102.84 1wgr n GLY 4 Ca 0.00 0.83 -0.01 0.00 0.00 0.00 0.00 46.02 46.84 1wgr n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wgr n SER 5 N -0.27 -7.39 -0.10 1.61 2.88 -1.26 -5.01 113.62 104.08 1wgr n SER 5 Ca 0.00 1.76 -0.14 0.00 -1.33 0.00 0.00 58.87 59.16 1wgr n SER 5 Cb 0.00 -5.27 -0.05 0.00 -0.75 0.00 0.00 64.21 58.14 1wgr n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wgr n SER 6 N 1.83 1.94 -4.05 -3.46 7.64 -1.26 -5.07 113.62 111.18 1wgr n SER 6 Ca -0.11 0.33 -0.26 0.00 1.01 0.00 0.00 58.87 59.84 1wgr n SER 6 Cb 0.16 -0.76 -0.08 0.00 -1.01 0.00 0.00 64.21 62.53 1wgr n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wgr s GLY 7 N -5.06 2.68 0.99 0.23 0.00 -1.26 -5.14 107.32 99.77 1wgr s GLY 7 Ca -0.31 -1.18 -0.13 0.00 0.00 0.00 0.00 44.72 43.10 1wgr s GLY 7 CO 0.44 -1.83 0.67 0.54 0.00 0.00 0.00 173.10 172.92 1wgr n ARG 8 N -0.94 -0.80 -1.54 2.90 1.74 -1.26 -4.98 116.66 111.78 1wgr n ARG 8 Ca -0.06 -0.19 -0.29 0.00 -0.77 0.00 0.00 57.85 56.54 1wgr n ARG 8 Cb 0.65 -2.04 0.13 0.00 -1.02 0.00 0.00 32.46 30.17 1wgr n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1wgr s PRO 9 N -4.03 1.32 -0.36 5.56 0.04 -1.26 -4.96 135.00 131.31 1wgr s PRO 9 Ca 0.61 0.35 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 1wgr s PRO 9 Cb -0.21 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.48 1wgr s PRO 9 CO 0.64 -2.09 0.23 -1.01 0.04 0.00 0.00 177.00 174.81 1wgr s HIS 10 N -3.26 3.22 -0.69 0.56 3.76 0.23 -4.97 115.29 114.14 1wgr s HIS 10 Ca 0.63 -0.47 -0.22 0.00 -0.15 0.00 0.00 55.06 54.86 1wgr s HIS 10 Cb -0.15 -2.48 0.08 0.00 1.11 0.00 0.00 32.58 31.15 1wgr s HIS 10 CO 0.53 -0.47 0.96 0.08 -0.85 0.00 0.00 174.74 174.99 1wgr s VAL 11 N 1.67 4.44 -0.01 -0.90 1.01 -1.26 -2.22 120.40 123.12 1wgr s VAL 11 Ca 0.05 -0.61 -0.24 0.00 0.00 0.00 0.00 61.98 61.18 1wgr s VAL 11 Cb -0.18 -4.68 -0.04 0.00 0.00 0.00 0.00 36.38 31.48 1wgr s VAL 11 CO 0.09 -1.43 0.73 -0.69 0.00 0.00 0.00 175.10 173.80 1wgr s VAL 12 N 3.71 4.90 -0.46 2.92 1.01 -1.11 -4.91 120.40 126.46 1wgr s VAL 12 Ca 0.22 1.53 -0.11 0.00 0.00 0.00 0.00 61.98 63.63 1wgr s VAL 12 Cb -0.16 -4.07 0.10 0.00 0.00 0.00 0.00 36.38 32.25 1wgr s VAL 12 CO 0.07 0.31 0.34 -0.54 0.00 0.00 0.00 175.10 175.27 1wgr s LYS 13 N 0.38 2.64 -0.19 2.72 1.02 -1.26 -1.62 119.74 123.43 1wgr s LYS 13 Ca 0.38 -1.60 -0.13 0.00 0.02 0.00 0.00 55.97 54.64 1wgr s LYS 13 Cb -0.19 -3.94 -0.05 0.00 -0.52 0.00 0.00 37.83 33.14 1wgr s LYS 13 CO 0.20 -1.10 0.25 0.08 -0.92 0.00 0.00 175.35 173.86 1wgr s VAL 14 N 1.44 5.32 0.02 3.17 1.01 0.11 -4.07 120.40 127.40 1wgr s VAL 14 Ca 0.04 0.43 -0.01 0.00 0.00 0.00 0.00 61.98 62.44 1wgr s VAL 14 Cb -0.25 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1wgr s VAL 14 CO 0.02 0.37 0.18 -0.31 0.00 0.00 0.00 175.10 175.36 1wgr s TYR 15 N 0.66 3.50 0.06 5.22 1.51 -0.38 -0.60 117.35 127.31 1wgr s TYR 15 Ca 0.14 0.29 0.03 0.00 -1.01 0.00 0.00 57.07 56.51 1wgr s TYR 15 Cb -0.13 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1wgr s TYR 15 CO 0.03 0.61 0.05 0.45 -1.11 0.00 0.00 175.55 175.58 1wgr s SER 16 N -2.14 5.37 0.22 2.29 0.15 0.85 -1.83 113.70 118.61 1wgr s SER 16 Ca 0.30 -0.02 -0.16 0.00 0.70 0.00 0.00 55.95 56.76 1wgr s SER 16 Cb -0.13 -1.42 0.24 0.00 -1.71 0.00 0.00 66.02 63.01 1wgr s SER 16 CO 0.22 0.20 1.58 -0.33 1.20 0.00 0.00 173.24 176.12 1wgr h GLU 17 N 3.61 -0.06 -0.95 5.44 5.08 -1.87 0.91 114.58 126.74 1wgr h GLU 17 Ca -0.48 0.00 0.27 0.00 -1.00 0.00 0.00 59.36 58.16 1wgr h GLU 17 Cb 1.17 0.01 -0.14 0.00 0.50 0.00 0.00 28.75 30.29 1wgr h GLU 17 CO 0.63 -0.04 0.45 -0.44 -1.00 0.00 0.00 179.01 178.60 1wgr h ASP 18 N -0.06 0.36 0.00 1.42 5.19 -1.95 -3.44 116.42 117.93 1wgr h ASP 18 Ca 0.32 0.18 0.00 0.00 -0.62 0.00 0.00 57.03 56.91 1wgr h ASP 18 Cb 0.57 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.25 1wgr h ASP 18 CO -0.80 -0.09 0.00 0.61 -3.12 0.00 0.00 179.24 175.84 1wgr n GLY 19 N -1.33 1.23 3.61 2.75 0.00 0.31 -5.11 105.19 106.66 1wgr n GLY 19 Ca 0.27 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.86 1wgr n GLY 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgr n ALA 20 N 0.00 0.15 -2.82 4.61 0.00 -1.25 -4.49 120.51 116.71 1wgr n ALA 20 Ca 0.00 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.42 1wgr n ALA 20 Cb 0.00 -2.08 -0.16 0.00 0.00 0.00 0.00 19.45 17.22 1wgr n ALA 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wgr s ARG 22 N -0.09 0.71 0.12 0.00 1.70 0.23 -5.00 118.95 116.62 1wgr s ARG 22 Ca -0.05 -0.68 0.07 0.00 -0.47 0.00 0.00 55.73 54.60 1wgr s ARG 22 Cb -0.14 -0.64 -0.04 0.00 -0.57 0.00 0.00 34.95 33.55 1wgr s ARG 22 CO 0.04 0.15 -0.10 -1.12 -1.08 0.00 0.00 175.30 173.19 1wgr s SER 23 N -1.16 4.36 -0.04 -2.89 0.01 -1.26 0.08 113.70 112.80 1wgr s SER 23 Ca -0.02 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.83 1wgr s SER 23 Cb -0.08 -0.81 0.01 0.00 0.21 0.00 0.00 66.02 65.35 1wgr s SER 23 CO 0.01 0.16 -0.08 0.68 0.41 0.00 0.00 173.24 174.43 1wgr s VAL 24 N -1.29 0.73 -0.53 3.43 -7.23 -0.64 -4.98 120.40 109.89 1wgr s VAL 24 Ca 0.22 -0.28 -0.28 0.00 -1.81 0.00 0.00 61.98 59.83 1wgr s VAL 24 Cb -0.11 -0.70 0.03 0.00 0.56 0.00 0.00 36.38 36.17 1wgr s VAL 24 CO 0.14 0.25 1.15 -1.61 -0.31 0.00 0.00 175.10 174.72 1wgr s GLU 25 N 0.59 3.60 0.35 4.82 2.02 -1.26 -2.75 118.70 126.06 1wgr s GLU 25 Ca -0.09 0.36 0.04 0.00 0.02 0.00 0.00 54.97 55.29 1wgr s GLU 25 Cb -0.12 -3.97 -0.04 0.00 0.10 0.00 0.00 34.13 30.10 1wgr s GLU 25 CO 0.01 -1.52 0.13 0.14 0.02 0.00 0.00 175.26 174.04 1wgr s VAL 26 N 4.65 0.57 0.05 2.63 -7.23 -0.94 -5.00 120.40 115.12 1wgr s VAL 26 Ca 0.44 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1wgr s VAL 26 Cb -0.08 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1wgr s VAL 26 CO 0.28 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 175.03 1wgr s ALA 27 N -3.40 0.47 -0.98 1.32 0.00 -1.26 0.74 121.76 118.64 1wgr s ALA 27 Ca 0.31 -0.98 -0.27 0.00 0.00 0.00 0.00 51.96 51.01 1wgr s ALA 27 Cb 0.05 0.19 -0.23 0.00 0.00 0.00 0.00 23.12 23.12 1wgr s ALA 27 CO 0.16 -0.24 2.60 0.00 0.00 0.00 0.00 175.76 178.28 1wgr n ALA 28 N 0.72 0.44 0.00 0.00 0.00 -1.26 -1.51 120.51 118.89 1wgr n ALA 28 Ca -0.18 -0.40 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1wgr n ALA 28 Cb 0.58 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.70 1wgr n ALA 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1wgr n GLY 29 N 6.33 1.91 3.47 0.00 0.00 -1.26 -5.13 105.19 110.51 1wgr n GLY 29 Ca 0.65 -0.16 -0.49 0.00 0.00 0.00 0.00 46.02 46.03 1wgr n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wgr n ALA 30 N 0.00 -2.18 -2.15 4.61 0.00 -0.57 -4.96 120.51 115.26 1wgr n ALA 30 Ca 0.00 0.45 -0.21 0.00 0.00 0.00 0.00 53.44 53.68 1wgr n ALA 30 Cb 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 19.45 17.71 1wgr n ALA 30 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1wgr s THR 31 N -0.77 2.20 0.59 0.00 -4.23 -1.26 -3.95 115.64 108.21 1wgr s THR 31 Ca 0.68 -1.17 0.31 0.00 -1.18 0.00 0.00 61.69 60.32 1wgr s THR 31 Cb -0.92 -2.37 0.36 0.00 1.34 0.00 0.00 72.50 70.91 1wgr s THR 31 CO 0.56 0.00 2.26 0.00 -0.54 0.00 0.00 174.62 176.90 1wgr h ALA 32 N 0.50 1.47 0.09 3.99 0.00 0.14 -1.49 119.26 123.96 1wgr h ALA 32 Ca -0.34 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.38 1wgr h ALA 32 Cb 1.29 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.10 1wgr h ALA 32 CO 0.48 0.01 -0.77 -0.09 0.00 0.00 0.00 179.25 178.87 1wgr h ARG 33 N 0.00 0.36 -0.58 0.00 9.65 -1.81 -3.02 114.38 118.97 1wgr h ARG 33 Ca -0.00 -0.51 0.12 0.00 -1.10 0.00 0.00 59.98 58.48 1wgr h ARG 33 Cb 0.02 0.18 -0.11 0.00 -1.39 0.00 0.00 29.97 28.66 1wgr h ARG 33 CO 0.00 1.21 -0.17 0.45 2.80 0.00 0.00 179.97 184.25 1wgr h HIS 34 N -0.24 -0.39 0.77 2.20 3.86 -1.60 0.47 115.15 120.22 1wgr h HIS 34 Ca -0.12 0.06 -0.03 0.00 -1.16 0.00 0.00 60.37 59.11 1wgr h HIS 34 Cb 1.55 0.26 -0.00 0.00 1.06 0.00 0.00 27.41 30.28 1wgr h HIS 34 CO 0.17 -0.27 -0.49 0.28 0.86 0.00 0.00 177.93 178.48 1wgr h VAL 35 N -0.03 0.03 -0.81 2.45 2.07 -1.59 1.34 116.25 119.71 1wgr h VAL 35 Ca 0.28 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.95 1wgr h VAL 35 Cb 0.45 0.03 -0.15 0.00 -1.52 0.00 0.00 31.29 30.10 1wgr h VAL 35 CO -0.61 0.00 -0.23 0.00 0.02 0.00 0.00 177.57 176.75 1wgr h GLU 37 N -0.02 0.82 0.00 0.00 4.39 0.39 0.75 114.58 120.91 1wgr h GLU 37 Ca 0.37 -0.17 0.00 0.00 0.34 0.00 0.00 59.36 59.90 1wgr h GLU 37 Cb 0.59 -0.12 0.00 0.00 -0.10 0.00 0.00 28.75 29.12 1wgr h GLU 37 CO -0.84 0.75 0.00 0.52 -1.16 0.00 0.00 179.01 178.28 1wgr h MET 38 N 0.73 0.00 0.00 2.33 2.86 0.79 0.02 114.93 121.66 1wgr h MET 38 Ca 0.17 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.75 1wgr h MET 38 Cb 0.27 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1wgr h MET 38 CO -0.01 0.00 -0.79 1.28 1.06 0.00 0.00 176.91 178.45 1wgr n LEU 39 N -3.03 1.84 -0.25 1.22 4.77 0.49 -4.34 117.00 117.70 1wgr n LEU 39 Ca -0.01 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.58 1wgr n LEU 39 Cb 0.22 -0.87 0.19 0.00 -2.33 0.00 0.00 43.42 40.63 1wgr n LEU 39 CO 0.24 -0.27 0.97 -0.37 -1.33 0.00 0.00 177.39 176.63 1wgr h VAL 40 N -1.00 0.58 -4.68 4.08 -1.51 0.51 -3.47 116.25 110.76 1wgr h VAL 40 Ca -0.09 -0.12 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1wgr h VAL 40 Cb 0.76 0.20 -0.01 0.00 -2.13 0.00 0.00 31.29 30.11 1wgr h VAL 40 CO -0.06 0.06 -0.81 0.00 -1.23 0.00 0.00 177.57 175.53 1wgr n GLN 41 N -5.08 -2.83 -3.59 5.19 6.02 -0.01 -5.08 117.38 111.99 1wgr n GLN 41 Ca 0.14 2.35 -0.05 0.00 -0.01 0.00 0.00 57.00 59.44 1wgr n GLN 41 Cb 0.45 -4.46 -0.03 0.00 1.02 0.00 0.00 30.24 27.22 1wgr n GLN 41 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1wgr s ARG 42 N -1.26 0.33 -0.13 -1.09 3.52 -1.26 -5.09 118.95 113.97 1wgr s ARG 42 Ca -0.01 -0.08 -0.13 0.00 -0.13 0.00 0.00 55.73 55.37 1wgr s ARG 42 Cb 0.00 0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 33.50 1wgr s ARG 42 CO 0.62 -0.14 -0.26 0.00 -0.81 0.00 0.00 175.30 174.72 1wgr n ALA 43 N 0.05 0.73 -3.16 6.12 0.00 -1.26 -4.77 120.51 118.22 1wgr n ALA 43 Ca -0.01 -0.66 -0.45 0.00 0.00 0.00 0.00 53.44 52.32 1wgr n ALA 43 Cb 0.58 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 20.05 1wgr n ALA 43 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1wgr s HIS 44 N -2.42 3.75 -0.43 0.00 3.76 -1.26 -4.81 115.29 113.88 1wgr s HIS 44 Ca -0.21 -2.16 0.07 0.00 -0.15 0.00 0.00 55.06 52.61 1wgr s HIS 44 Cb 0.03 -4.04 0.23 0.00 1.11 0.00 0.00 32.58 29.91 1wgr s HIS 44 CO 0.32 -1.17 0.60 0.00 -0.85 0.00 0.00 174.74 173.63 1wgr n ALA 45 N 4.45 1.16 -3.00 -1.40 0.00 -1.26 -4.97 120.51 115.48 1wgr n ALA 45 Ca 0.25 -2.65 -0.15 0.00 0.00 0.00 0.00 53.44 50.90 1wgr n ALA 45 Cb 0.44 -0.99 0.01 0.00 0.00 0.00 0.00 19.45 18.91 1wgr n ALA 45 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1wgr n LEU 46 N 1.82 -0.52 0.00 0.00 4.77 -1.26 -4.90 117.00 116.91 1wgr n LEU 46 Ca 0.19 -4.45 0.00 0.00 -0.03 0.00 0.00 56.01 51.72 1wgr n LEU 46 Cb 0.55 0.80 0.00 0.00 -2.33 0.00 0.00 43.42 42.44 1wgr n LEU 46 CO 0.11 2.19 0.00 -1.54 -1.33 0.00 0.00 177.39 176.82 1wgr n SER 47 N 0.44 0.00 0.00 -1.43 3.41 -1.26 -4.99 113.62 109.78 1wgr n SER 47 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1wgr n SER 47 Cb 0.66 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.61 1wgr n SER 47 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1wgr n ASP 48 N 0.00 0.00 -3.92 4.04 -0.08 -1.26 -5.14 116.55 110.19 1wgr n ASP 48 Ca 0.00 0.00 -0.10 0.00 -1.51 0.00 0.00 54.79 53.18 1wgr n ASP 48 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1wgr n ASP 48 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 1wgr s GLU 49 N 0.00 0.53 -0.03 -0.67 -1.05 -1.26 -5.07 118.70 111.15 1wgr s GLU 49 Ca 0.00 -0.64 -0.01 0.00 -0.15 0.00 0.00 54.97 54.17 1wgr s GLU 49 Cb 0.00 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.89 1wgr s GLU 49 CO 0.00 -0.13 -0.04 0.25 0.95 0.00 0.00 175.26 176.29 1wgr n THR 50 N 1.04 0.18 -1.32 1.83 -2.24 -1.26 -4.70 114.28 107.81 1wgr n THR 50 Ca -0.21 -0.05 0.18 0.00 -2.27 0.00 0.00 64.05 61.70 1wgr n THR 50 Cb 0.57 -1.35 -0.05 0.00 -2.10 0.00 0.00 70.33 67.41 1wgr n THR 50 CO 0.00 0.00 0.00 0.79 -0.57 0.00 0.00 175.07 175.29 1wgr n TRP 51 N -3.03 -3.35 -1.52 4.78 7.02 -1.26 -4.99 117.44 115.09 1wgr n TRP 51 Ca -0.06 1.70 0.00 0.00 -1.02 0.00 0.00 57.50 58.11 1wgr n TRP 51 Cb 0.55 -3.04 0.00 0.00 -2.42 0.00 0.00 31.31 26.39 1wgr n TRP 51 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1wgr n GLY 52 N -4.03 1.33 3.13 6.99 0.00 -1.25 -5.00 105.19 106.37 1wgr n GLY 52 Ca -0.01 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.63 1wgr n GLY 52 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wgr s LEU 53 N 0.00 2.28 -0.14 0.99 1.43 -1.26 -4.28 118.68 117.70 1wgr s LEU 53 Ca 0.00 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1wgr s LEU 53 Cb 0.00 -0.38 0.05 0.00 0.03 0.00 0.00 46.19 45.89 1wgr s LEU 53 CO 0.00 -0.13 0.04 -0.69 0.23 0.00 0.00 176.35 175.80 1wgr s VAL 54 N -1.39 0.25 -0.05 -1.59 1.01 0.21 -2.50 120.40 116.33 1wgr s VAL 54 Ca -0.04 -0.17 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1wgr s VAL 54 Cb -0.10 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1wgr s VAL 54 CO 0.01 -0.07 1.26 -1.83 0.00 0.00 0.00 175.10 174.48 1wgr s GLU 55 N 2.00 4.32 -0.04 2.72 -1.05 0.15 0.19 118.70 126.99 1wgr s GLU 55 Ca 0.02 1.75 -0.01 0.00 -0.15 0.00 0.00 54.97 56.57 1wgr s GLU 55 Cb -0.15 -3.59 -0.04 0.00 -0.44 0.00 0.00 34.13 29.91 1wgr s GLU 55 CO -0.07 -0.51 0.06 0.00 0.95 0.00 0.00 175.26 175.69 1wgr s HIS 57 N -1.09 3.46 -0.74 0.00 3.76 -0.79 -0.97 115.29 118.92 1wgr s HIS 57 Ca 0.19 -2.66 -0.06 0.00 -0.15 0.00 0.00 55.06 52.38 1wgr s HIS 57 Cb -0.12 -3.17 -0.12 0.00 1.11 0.00 0.00 32.58 30.28 1wgr s HIS 57 CO 0.10 -0.88 2.62 -0.35 -0.85 0.00 0.00 174.74 175.38 1wgr n PRO 58 N 3.84 2.28 0.00 8.40 -0.04 -1.26 -0.93 135.00 147.29 1wgr n PRO 58 Ca 0.04 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 62.13 1wgr n PRO 58 Cb 0.39 -2.31 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 1wgr n PRO 58 CO 0.00 0.00 0.00 -2.39 -0.04 0.00 0.00 175.50 173.07 1wgr n HIS 59 N 3.42 -0.38 0.88 0.54 1.44 -1.26 -4.60 115.22 115.26 1wgr n HIS 59 Ca 0.49 0.00 0.10 0.00 -2.01 0.00 0.00 57.72 56.30 1wgr n HIS 59 Cb 0.38 0.08 0.03 0.00 0.12 0.00 0.00 29.99 30.59 1wgr n HIS 59 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1wgr n LEU 60 N -1.42 2.19 -3.75 2.39 4.77 -1.08 -4.97 117.00 115.13 1wgr n LEU 60 Ca 0.00 -0.85 -0.24 0.00 -0.03 0.00 0.00 56.01 54.90 1wgr n LEU 60 Cb 0.00 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.12 1wgr n LEU 60 CO 0.00 0.39 -0.01 0.00 -1.33 0.00 0.00 177.39 176.44 1wgr n ALA 61 N 0.39 -1.81 -2.59 -1.18 0.00 -0.10 -4.98 120.51 110.24 1wgr n ALA 61 Ca 0.10 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.25 1wgr n ALA 61 Cb 0.46 -2.70 -0.07 0.00 0.00 0.00 0.00 19.45 17.13 1wgr n ALA 61 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1wgr s LEU 62 N -6.85 3.17 -0.21 0.00 2.96 -1.22 -4.98 118.68 111.56 1wgr s LEU 62 Ca 0.19 -0.75 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 1wgr s LEU 62 Cb -0.09 -1.65 0.09 0.00 0.50 0.00 0.00 46.19 45.04 1wgr s LEU 62 CO 0.81 -0.13 0.20 -1.61 -1.32 0.00 0.00 176.35 174.30 1wgr s GLU 63 N -3.73 0.18 -0.00 1.98 8.01 -1.26 -1.89 118.70 121.98 1wgr s GLU 63 Ca 0.34 0.09 0.06 0.00 0.01 0.00 0.00 54.97 55.47 1wgr s GLU 63 Cb -0.04 -1.28 -0.03 0.00 -4.31 0.00 0.00 34.13 28.47 1wgr s GLU 63 CO 0.21 -0.70 -0.19 0.50 0.01 0.00 0.00 175.26 175.08 1wgr s ARG 64 N 2.28 2.22 -0.12 1.61 3.52 -0.61 -4.99 118.95 122.85 1wgr s ARG 64 Ca 0.06 -0.88 -0.03 0.00 -0.13 0.00 0.00 55.73 54.75 1wgr s ARG 64 Cb -0.16 -2.21 -0.03 0.00 -1.56 0.00 0.00 34.95 30.99 1wgr s ARG 64 CO -0.14 0.57 -0.00 0.20 -0.81 0.00 0.00 175.30 175.12 1wgr s GLY 65 N -1.01 1.81 0.12 8.12 0.00 -1.26 0.31 107.32 115.42 1wgr s GLY 65 Ca 0.12 -0.80 0.08 0.00 0.00 0.00 0.00 44.72 44.13 1wgr s GLY 65 CO 0.02 -0.31 -0.14 0.48 0.00 0.00 0.00 173.10 173.15 1wgr s LEU 66 N -0.29 2.85 0.00 0.66 2.34 -1.04 -4.97 118.68 118.23 1wgr s LEU 66 Ca 0.06 -0.51 -0.13 0.00 0.06 0.00 0.00 54.13 53.61 1wgr s LEU 66 Cb -0.12 -1.65 0.19 0.00 -0.56 0.00 0.00 46.19 44.04 1wgr s LEU 66 CO 0.02 0.17 0.84 -0.62 -1.06 0.00 0.00 176.35 175.69 1wgr n GLU 67 N 0.64 -1.77 0.07 1.48 -0.58 -1.26 -4.08 120.64 115.14 1wgr n GLU 67 Ca -0.14 -1.32 -0.10 0.00 -0.42 0.00 0.00 57.16 55.19 1wgr n GLU 67 Cb 0.53 -1.06 -0.06 0.00 -0.57 0.00 0.00 31.44 30.28 1wgr n GLU 67 CO 0.00 0.00 0.00 0.38 -0.48 0.00 0.00 177.13 177.03 1wgr h ASP 68 N -1.75 -0.23 -1.27 1.62 2.03 -1.94 -3.17 116.42 111.71 1wgr h ASP 68 Ca -0.29 -0.27 0.38 0.00 -0.73 0.00 0.00 57.03 56.12 1wgr h ASP 68 Cb 0.85 0.06 -0.10 0.00 -0.83 0.00 0.00 39.33 39.31 1wgr h ASP 68 CO 0.20 0.31 0.84 1.12 -1.03 0.00 0.00 179.24 180.68 1wgr h HIS 69 N -0.94 0.46 -2.13 4.15 2.07 -1.95 0.06 115.15 116.86 1wgr h HIS 69 Ca -0.03 0.02 -0.60 0.00 -2.85 0.00 0.00 60.37 56.91 1wgr h HIS 69 Cb 0.48 -0.12 0.03 0.00 2.57 0.00 0.00 27.41 30.37 1wgr h HIS 69 CO 0.07 -0.08 0.97 0.39 -3.07 0.00 0.00 177.93 176.21 1wgr n GLU 70 N -4.55 2.17 -2.66 5.12 -0.58 -1.20 -4.67 120.64 114.28 1wgr n GLU 70 Ca 0.33 0.79 -0.43 0.00 -0.42 0.00 0.00 57.16 57.43 1wgr n GLU 70 Cb 1.29 -2.61 -0.02 0.00 -0.57 0.00 0.00 31.44 29.53 1wgr n GLU 70 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1wgr s SER 71 N 2.75 6.92 0.28 1.62 0.15 -1.26 -0.28 113.70 123.88 1wgr s SER 71 Ca 0.87 1.03 0.03 0.00 0.70 0.00 0.00 55.95 58.57 1wgr s SER 71 Cb -0.68 -2.53 0.67 0.00 -1.71 0.00 0.00 66.02 61.76 1wgr s SER 71 CO 0.46 -0.85 1.73 -0.37 1.20 0.00 0.00 173.24 175.41 1wgr h VAL 72 N 5.71 0.60 0.42 4.45 -1.51 -1.83 0.88 116.25 124.97 1wgr h VAL 72 Ca -0.21 -0.18 -0.02 0.00 -1.23 0.00 0.00 66.70 65.06 1wgr h VAL 72 Cb 1.06 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 1wgr h VAL 72 CO 1.02 0.10 -0.20 0.58 -1.23 0.00 0.00 177.57 177.84 1wgr h VAL 73 N 0.54 0.00 -1.06 7.19 2.07 -1.91 1.58 116.25 124.65 1wgr h VAL 73 Ca 0.53 -0.15 0.30 0.00 0.82 0.00 0.00 66.70 68.20 1wgr h VAL 73 Cb 0.90 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.55 1wgr h VAL 73 CO -0.45 0.00 0.65 -0.33 0.02 0.00 0.00 177.57 177.47 1wgr h GLU 74 N -0.71 0.37 0.04 1.57 5.08 -1.77 1.82 114.58 120.98 1wgr h GLU 74 Ca -0.06 -0.02 -0.22 0.00 -1.00 0.00 0.00 59.36 58.06 1wgr h GLU 74 Cb 0.43 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1wgr h GLU 74 CO 0.09 0.25 -1.02 0.28 -1.00 0.00 0.00 179.01 177.61 1wgr h VAL 75 N 0.39 1.59 -0.03 3.13 2.07 0.88 -2.37 116.25 121.91 1wgr h VAL 75 Ca 0.67 -3.07 -0.15 0.00 0.82 0.00 0.00 66.70 64.96 1wgr h VAL 75 Cb 1.62 2.75 -0.02 0.00 -1.52 0.00 0.00 31.29 34.12 1wgr h VAL 75 CO -0.43 0.89 -0.69 -0.61 0.02 0.00 0.00 177.57 176.75 1wgr h GLN 76 N 0.05 0.13 -0.01 1.57 4.15 1.16 -2.97 115.11 119.20 1wgr h GLN 76 Ca -0.05 -0.11 -0.19 0.00 0.77 0.00 0.00 58.65 59.07 1wgr h GLN 76 Cb 1.73 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.43 1wgr h GLN 76 CO 0.15 0.77 -0.83 0.00 -1.93 0.00 0.00 178.83 176.98 1wgr h ALA 77 N 1.20 0.58 -0.47 3.38 0.00 0.22 -3.04 119.26 121.12 1wgr h ALA 77 Ca -0.01 -0.70 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 1wgr h ALA 77 Cb 1.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1wgr h ALA 77 CO 0.10 0.90 0.22 0.00 0.00 0.00 0.00 179.25 180.47 1wgr h ALA 78 N 1.02 1.50 -2.32 0.00 0.00 -1.28 -3.43 119.26 114.75 1wgr h ALA 78 Ca -0.04 -0.10 -0.59 0.00 0.00 0.00 0.00 54.91 54.18 1wgr h ALA 78 Cb 1.44 -0.20 0.17 0.00 0.00 0.00 0.00 17.79 19.20 1wgr h ALA 78 CO 0.13 0.40 -0.49 0.91 0.00 0.00 0.00 179.25 180.20 1wgr n TRP 79 N -4.38 -0.90 -1.55 0.00 8.01 -1.13 -4.93 117.44 112.55 1wgr n TRP 79 Ca 0.04 0.49 -0.30 0.00 -1.31 0.00 0.00 57.50 56.42 1wgr n TRP 79 Cb 0.13 -1.93 0.10 0.00 -2.01 0.00 0.00 31.31 27.59 1wgr n TRP 79 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.69 175.43 1wgr s PRO 80 N -1.80 1.90 -1.13 -0.99 0.04 -1.26 -4.96 135.00 126.79 1wgr s PRO 80 Ca 0.66 0.57 -0.04 0.00 0.04 0.00 0.00 61.00 62.22 1wgr s PRO 80 Cb -0.49 -1.90 0.26 0.00 0.04 0.00 0.00 34.50 32.41 1wgr s PRO 80 CO 0.57 -1.73 1.76 0.28 0.04 0.00 0.00 177.00 177.91 1wgr n VAL 81 N -3.50 5.36 0.00 -0.36 0.31 -1.26 -4.17 118.33 114.72 1wgr n VAL 81 Ca 0.07 -5.48 0.00 0.00 -0.01 0.00 0.00 64.34 58.91 1wgr n VAL 81 Cb 0.57 -1.99 0.00 0.00 -0.91 0.00 0.00 33.84 31.51 1wgr n VAL 81 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wgr n GLY 82 N 1.26 -0.43 3.72 2.92 0.00 -1.26 -5.11 105.19 106.29 1wgr n GLY 82 Ca 0.38 0.01 -0.37 0.00 0.00 0.00 0.00 46.02 46.04 1wgr n GLY 82 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wgr s GLY 83 N -1.71 2.24 -1.08 -0.02 0.00 -1.26 -4.96 107.32 100.53 1wgr s GLY 83 Ca 0.00 -0.40 -0.07 0.00 0.00 0.00 0.00 44.72 44.25 1wgr s GLY 83 CO 0.00 0.57 2.48 1.22 0.00 0.00 0.00 173.10 177.37 1wgr n ASP 84 N 3.73 6.19 -4.67 1.64 8.00 -1.26 -4.79 116.55 125.38 1wgr n ASP 84 Ca -0.10 -2.40 -0.41 0.00 0.71 0.00 0.00 54.79 52.59 1wgr n ASP 84 Cb 0.52 -1.25 0.02 0.00 -0.02 0.00 0.00 41.12 40.38 1wgr n ASP 84 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1wgr n SER 85 N 3.83 2.10 -3.84 -2.24 7.64 -1.26 -4.43 113.62 115.43 1wgr n SER 85 Ca 0.55 1.06 -0.14 0.00 1.01 0.00 0.00 58.87 61.35 1wgr n SER 85 Cb 0.22 -1.46 -0.08 0.00 -1.01 0.00 0.00 64.21 61.87 1wgr n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wgr s ARG 86 N -2.24 1.47 0.08 1.43 1.04 -0.15 -4.96 118.95 115.62 1wgr s ARG 86 Ca 0.63 -1.72 0.03 0.00 -1.04 0.00 0.00 55.73 53.63 1wgr s ARG 86 Cb -0.51 0.32 -0.04 0.00 -2.04 0.00 0.00 34.95 32.68 1wgr s ARG 86 CO 0.56 -0.53 0.09 -0.06 -0.04 0.00 0.00 175.30 175.32 1wgr s PHE 87 N -3.82 3.21 0.02 5.89 0.08 -1.26 0.18 117.98 122.28 1wgr s PHE 87 Ca 0.37 0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.55 1wgr s PHE 87 Cb 0.04 -1.63 -0.02 0.00 -0.57 0.00 0.00 43.02 40.85 1wgr s PHE 87 CO 0.17 0.53 -0.12 0.08 -0.10 0.00 0.00 175.22 175.77 1wgr s VAL 88 N -1.39 0.98 -0.27 -0.44 1.01 0.50 -1.25 120.40 119.54 1wgr s VAL 88 Ca 0.30 -0.80 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 1wgr s VAL 88 Cb -0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1wgr s VAL 88 CO 0.22 0.07 0.11 0.12 0.00 0.00 0.00 175.10 175.63 1wgr s PHE 89 N -0.66 3.14 0.00 5.22 5.36 -0.76 0.63 117.98 130.91 1wgr s PHE 89 Ca 0.02 -0.38 -0.22 0.00 -0.96 0.00 0.00 56.93 55.39 1wgr s PHE 89 Cb -0.07 -2.30 0.05 0.00 -0.34 0.00 0.00 43.02 40.36 1wgr s PHE 89 CO 0.01 -0.36 0.48 -0.98 -1.46 0.00 0.00 175.22 172.91 1wgr s ARG 90 N 1.64 0.92 -0.01 10.12 1.70 -1.26 -4.29 118.95 127.76 1wgr s ARG 90 Ca 0.06 -0.12 0.16 0.00 -0.47 0.00 0.00 55.73 55.36 1wgr s ARG 90 Cb -0.16 0.42 -0.22 0.00 -0.57 0.00 0.00 34.95 34.42 1wgr s ARG 90 CO 0.06 -0.30 0.49 0.36 -1.08 0.00 0.00 175.30 174.83 1wgr n LYS 91 N 0.79 0.99 -3.97 3.89 2.85 -1.26 -3.80 118.16 117.64 1wgr n LYS 91 Ca -0.19 -0.09 -0.30 0.00 -1.05 0.00 0.00 58.31 56.67 1wgr n LYS 91 Cb 0.58 -1.34 -0.16 0.00 -0.65 0.00 0.00 35.03 33.47 1wgr n LYS 91 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1wgr s ASN 92 N -3.34 3.58 0.00 -5.58 2.47 -1.26 -4.88 114.94 105.94 1wgr s ASN 92 Ca -0.01 -1.01 0.00 0.00 0.42 0.00 0.00 52.86 52.26 1wgr s ASN 92 Cb 0.11 -1.21 0.00 0.00 -1.45 0.00 0.00 41.25 38.70 1wgr s ASN 92 CO 0.67 -0.18 0.00 0.33 -3.72 0.00 0.00 177.10 174.20 1wgr n PHE 93 N 4.68 0.00 0.00 0.43 7.35 -1.26 -5.06 117.46 123.59 1wgr n PHE 93 Ca -0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.55 1wgr n PHE 93 Cb 0.45 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.28 1wgr n PHE 93 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1wgr n ALA 94 N 0.00 1.32 -1.91 3.13 0.00 -1.26 -5.01 120.51 116.78 1wgr n ALA 94 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1wgr n ALA 94 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1wgr n ALA 94 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1wgr n SER 95 N -2.38 -8.57 0.00 0.00 7.64 -1.26 -5.09 113.62 103.96 1wgr n SER 95 Ca 0.00 1.27 0.00 0.00 1.01 0.00 0.00 58.87 61.15 1wgr n SER 95 Cb 0.00 -4.75 0.00 0.00 -1.01 0.00 0.00 64.21 58.45 1wgr n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wgr n GLY 96 N 1.48 2.31 2.72 0.23 0.00 -1.26 -5.01 105.19 105.65 1wgr n GLY 96 Ca 0.00 0.23 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1wgr n GLY 96 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1wgr n PRO 97 N 0.00 2.43 -4.21 1.61 -0.04 -1.26 -4.81 135.00 128.72 1wgr n PRO 97 Ca 0.00 -2.00 -0.12 0.00 -0.04 0.00 0.00 63.50 61.33 1wgr n PRO 97 Cb 0.00 -2.87 -0.10 0.00 -0.04 0.00 0.00 33.50 30.49 1wgr n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1wgr s SER 98 N 3.56 0.48 -0.28 3.54 0.15 -1.26 -5.11 113.70 114.78 1wgr s SER 98 Ca 0.52 -1.32 -0.29 0.00 0.70 0.00 0.00 55.95 55.57 1wgr s SER 98 Cb 0.14 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 64.74 1wgr s SER 98 CO -0.01 -0.76 1.40 -0.55 1.20 0.00 0.00 173.24 174.52 1wgr s SER 99 N -3.16 6.57 0.00 5.45 0.15 -1.26 -5.18 113.70 116.27 1wgr s SER 99 Ca 0.33 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1wgr s SER 99 Cb 0.07 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.84 1wgr s SER 99 CO 0.09 -1.15 0.00 0.61 1.20 0.00 0.00 173.24 173.99