#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2v1w s MET 1 N 0.00 4.46 0.57 4.33 0.00 -1.26 -4.61 119.30 122.79 2v1w s MET 1 Ca 0.00 2.01 -0.17 0.00 0.00 0.00 0.00 55.69 57.53 2v1w s MET 1 Cb 0.00 -3.16 -0.05 0.00 0.00 0.00 0.00 34.83 31.62 2v1w s MET 1 CO 0.00 -0.08 1.06 -1.25 0.00 0.00 0.00 175.02 174.74 2v1w s PRO 2 N -0.99 3.41 0.20 3.16 0.04 -1.26 -4.79 135.00 134.76 2v1w s PRO 2 Ca 0.50 1.26 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2v1w s PRO 2 Cb -0.36 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.09 2v1w s PRO 2 CO 0.43 -0.74 -0.11 -3.38 0.04 0.00 0.00 177.00 173.24 2v1w s HIS 3 N -2.32 1.58 -0.03 0.56 -3.43 -0.47 -4.90 115.29 106.28 2v1w s HIS 3 Ca 0.65 -0.67 -0.02 0.00 -0.80 0.00 0.00 55.06 54.21 2v1w s HIS 3 Cb -0.17 -0.78 -0.04 0.00 -1.43 0.00 0.00 32.58 30.16 2v1w s HIS 3 CO 0.33 0.23 0.13 -1.12 -2.00 0.00 0.00 174.74 172.30 2v1w s SER 4 N -3.28 6.05 -0.00 7.38 0.01 -1.26 -0.74 113.70 121.85 2v1w s SER 4 Ca 0.22 0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.80 2v1w s SER 4 Cb 0.01 -1.84 -0.01 0.00 0.21 0.00 0.00 66.02 64.39 2v1w s SER 4 CO 0.05 0.30 -0.14 -0.69 0.41 0.00 0.00 173.24 173.17 2v1w s VAL 5 N -1.20 1.11 -0.09 3.43 1.01 0.36 -4.99 120.40 120.02 2v1w s VAL 5 Ca 0.23 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.59 2v1w s VAL 5 Cb -0.12 -0.94 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2v1w s VAL 5 CO 0.14 0.27 -0.21 -0.89 0.00 0.00 0.00 175.10 174.41 2v1w s THR 6 N -0.40 2.35 -0.18 3.92 2.01 -1.26 -1.23 115.64 120.85 2v1w s THR 6 Ca 0.05 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.07 2v1w s THR 6 Cb -0.06 -1.91 -0.03 0.00 0.01 0.00 0.00 72.50 70.51 2v1w s THR 6 CO -0.00 0.56 0.00 -0.76 -0.69 0.00 0.00 174.62 173.72 2v1w s LEU 7 N 0.17 3.41 0.02 4.42 1.02 0.81 -4.90 118.68 123.63 2v1w s LEU 7 Ca -0.12 -0.09 -0.23 0.00 0.02 0.00 0.00 54.13 53.71 2v1w s LEU 7 Cb -0.16 -1.85 -0.05 0.00 0.02 0.00 0.00 46.19 44.15 2v1w s LEU 7 CO 0.07 0.14 0.70 -0.60 0.02 0.00 0.00 176.35 176.67 2v1w s ARG 8 N 0.54 4.42 0.88 1.70 6.06 -1.26 -1.29 118.95 130.01 2v1w s ARG 8 Ca -0.01 0.93 -0.10 0.00 -2.50 0.00 0.00 55.73 54.05 2v1w s ARG 8 Cb -0.14 -3.36 0.19 0.00 0.06 0.00 0.00 34.95 31.71 2v1w s ARG 8 CO 0.02 0.31 1.21 0.41 -2.50 0.00 0.00 175.30 174.74 2v1w n GLY 9 N 2.44 -0.67 3.88 8.12 0.00 0.49 -4.83 105.19 114.63 2v1w n GLY 9 Ca -0.04 -1.84 -0.30 0.00 0.00 0.00 0.00 46.02 43.84 2v1w n GLY 9 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2v1w s PRO 10 N -5.61 2.96 1.35 1.61 0.04 -1.26 -4.89 135.00 129.21 2v1w s PRO 10 Ca 0.72 0.50 -0.19 0.00 0.04 0.00 0.00 61.00 62.06 2v1w s PRO 10 Cb -0.03 -2.03 0.34 0.00 0.04 0.00 0.00 34.50 32.82 2v1w s PRO 10 CO 0.50 -0.97 0.89 -1.13 0.04 0.00 0.00 177.00 176.32 2v1w n SER 11 N -2.97 -3.18 -4.77 6.66 3.41 -1.26 -4.80 113.62 106.71 2v1w n SER 11 Ca 0.07 -0.57 -0.40 0.00 -0.26 0.00 0.00 58.87 57.71 2v1w n SER 11 Cb 0.57 -1.09 0.01 0.00 -0.26 0.00 0.00 64.21 63.44 2v1w n SER 11 CO 0.00 0.00 0.00 -2.84 -0.16 0.00 0.00 175.04 172.04 2v1w s PRO 12 N -4.69 3.71 0.18 4.33 0.02 -1.26 -5.11 135.00 132.18 2v1w s PRO 12 Ca 0.67 2.38 0.11 0.00 0.02 0.00 0.00 61.00 64.18 2v1w s PRO 12 Cb -0.18 -2.66 -0.09 0.00 0.02 0.00 0.00 34.50 31.60 2v1w s PRO 12 CO 0.60 -0.78 1.32 -1.49 -0.33 0.00 0.00 177.00 176.32 2v1w h TRP 13 N 2.35 0.00 -0.73 6.54 -0.00 -2.00 -3.42 115.95 118.69 2v1w h TRP 13 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.38 2v1w h TRP 13 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.42 2v1w h TRP 13 CO 0.50 0.77 0.00 0.41 -0.00 0.00 0.00 178.44 180.12 2v1w n GLY 14 N 1.30 0.90 3.08 1.49 0.00 -1.26 -1.05 105.19 109.64 2v1w n GLY 14 Ca 0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 46.02 45.31 2v1w n GLY 14 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2v1w s PHE 15 N -2.73 0.54 -0.17 1.61 -0.12 -1.26 -1.22 117.98 114.63 2v1w s PHE 15 Ca 0.00 -0.90 -0.08 0.00 -0.05 0.00 0.00 56.93 55.91 2v1w s PHE 15 Cb 0.00 -0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 41.98 2v1w s PHE 15 CO 0.00 -0.28 0.08 0.50 -0.05 0.00 0.00 175.22 175.46 2v1w s ARG 16 N -3.26 3.92 -0.15 1.99 3.52 -0.08 -4.99 118.95 119.90 2v1w s ARG 16 Ca 0.02 -0.31 -0.04 0.00 -0.13 0.00 0.00 55.73 55.27 2v1w s ARG 16 Cb 0.03 -3.22 -0.03 0.00 -1.56 0.00 0.00 34.95 30.16 2v1w s ARG 16 CO -0.07 0.34 -0.01 -1.17 -0.81 0.00 0.00 175.30 173.58 2v1w s LEU 17 N 0.18 3.40 0.22 -0.88 2.96 -1.26 -1.17 118.68 122.13 2v1w s LEU 17 Ca 0.05 -0.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 2v1w s LEU 17 Cb -0.12 -1.82 -0.05 0.00 0.50 0.00 0.00 46.19 44.70 2v1w s LEU 17 CO 0.00 0.20 -0.13 0.68 -1.32 0.00 0.00 176.35 175.78 2v1w s VAL 18 N 0.19 1.77 0.00 1.68 -7.23 -0.20 -4.94 120.40 111.67 2v1w s VAL 18 Ca -0.00 -2.21 0.00 0.00 -1.81 0.00 0.00 61.98 57.95 2v1w s VAL 18 Cb -0.13 -2.13 0.00 0.00 0.56 0.00 0.00 36.38 34.68 2v1w s VAL 18 CO 0.02 -0.54 0.00 0.61 -0.31 0.00 0.00 175.10 174.89 2v1w n GLY 19 N -0.43 -1.78 0.00 2.32 0.00 -1.26 -1.17 105.19 102.87 2v1w n GLY 19 Ca -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.29 2v1w n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2v1w n GLY 20 N 0.00 3.43 0.36 -0.02 0.00 0.12 -4.02 105.19 105.06 2v1w n GLY 20 Ca 0.00 -1.80 0.01 0.00 0.00 0.00 0.00 46.02 44.23 2v1w n GLY 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2v1w h ARG 21 N 0.00 1.13 0.00 1.61 2.43 -1.27 -1.63 114.38 116.64 2v1w h ARG 21 Ca 0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2v1w h ARG 21 Cb 0.00 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.30 2v1w h ARG 21 CO 0.00 0.75 0.00 0.38 -1.51 0.00 0.00 179.97 179.59 2v1w h ASP 22 N 1.16 0.00 -0.30 -3.80 2.03 -1.92 -2.75 116.42 110.84 2v1w h ASP 22 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 2v1w h ASP 22 Cb 0.10 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.60 2v1w h ASP 22 CO -0.15 0.00 0.00 0.49 -1.03 0.00 0.00 179.24 178.55 2v1w n PHE 23 N -2.43 0.40 -4.02 4.15 3.72 -0.65 -4.98 117.46 113.64 2v1w n PHE 23 Ca 0.02 -0.36 -0.32 0.00 -0.05 0.00 0.00 57.45 56.73 2v1w n PHE 23 Cb 0.23 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 38.76 2v1w n PHE 23 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2v1w n SER 24 N 0.70 -4.09 -3.82 4.37 7.64 -0.99 -4.87 113.62 112.57 2v1w n SER 24 Ca 0.12 -0.87 -0.12 0.00 1.01 0.00 0.00 58.87 59.01 2v1w n SER 24 Cb 0.42 -3.46 -0.11 0.00 -1.01 0.00 0.00 64.21 60.05 2v1w n SER 24 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2v1w s ALA 25 N -3.32 -0.48 0.43 -0.43 0.00 -1.13 -5.03 121.76 111.79 2v1w s ALA 25 Ca 0.66 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.74 2v1w s ALA 25 Cb -0.34 -0.19 -0.08 0.00 0.00 0.00 0.00 23.12 22.50 2v1w s ALA 25 CO 0.87 -0.14 1.36 -1.25 0.00 0.00 0.00 175.76 176.60 2v1w s PRO 26 N -0.39 3.83 -0.17 0.00 0.04 -1.26 -0.70 135.00 136.35 2v1w s PRO 26 Ca -0.05 2.28 -0.29 0.00 0.04 0.00 0.00 61.00 62.98 2v1w s PRO 26 Cb -0.03 -2.70 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2v1w s PRO 26 CO 0.01 -0.65 1.62 -0.51 0.04 0.00 0.00 177.00 177.51 2v1w s LEU 27 N -2.58 4.03 0.03 -3.56 1.43 -1.26 -4.22 118.68 112.55 2v1w s LEU 27 Ca 0.59 1.82 0.02 0.00 -1.03 0.00 0.00 54.13 55.52 2v1w s LEU 27 Cb -0.41 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.26 2v1w s LEU 27 CO 0.52 -1.14 -0.06 -0.89 0.23 0.00 0.00 176.35 175.01 2v1w s THR 28 N 4.82 0.41 -0.47 5.49 2.01 -0.32 -1.06 115.64 126.52 2v1w s THR 28 Ca 0.72 -0.87 -0.23 0.00 0.31 0.00 0.00 61.69 61.62 2v1w s THR 28 Cb -0.27 -0.48 0.03 0.00 0.01 0.00 0.00 72.50 71.79 2v1w s THR 28 CO 0.28 -0.31 0.81 -0.63 -0.69 0.00 0.00 174.62 174.09 2v1w s ILE 29 N -1.14 4.61 -0.18 1.82 1.01 0.30 -1.03 121.20 126.59 2v1w s ILE 29 Ca -0.09 0.40 0.20 0.00 0.00 0.00 0.00 60.65 61.16 2v1w s ILE 29 Cb -0.08 -4.36 -0.08 0.00 0.01 0.00 0.00 42.46 37.95 2v1w s ILE 29 CO 0.00 -0.79 0.91 -1.54 0.00 0.00 0.00 174.94 173.53 2v1w n SER 30 N 6.84 0.82 -3.73 3.58 3.41 -0.32 0.10 113.62 124.32 2v1w n SER 30 Ca 0.02 0.34 -0.12 0.00 -0.26 0.00 0.00 58.87 58.85 2v1w n SER 30 Cb 0.48 0.37 -0.11 0.00 -0.26 0.00 0.00 64.21 64.69 2v1w n SER 30 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2v1w s ARG 31 N -3.16 0.42 -0.16 4.33 6.06 -1.23 -4.68 118.95 120.53 2v1w s ARG 31 Ca -0.02 0.58 0.01 0.00 -2.50 0.00 0.00 55.73 53.80 2v1w s ARG 31 Cb 0.09 0.15 0.02 0.00 0.06 0.00 0.00 34.95 35.27 2v1w s ARG 31 CO 0.80 -0.08 -0.20 0.08 -2.50 0.00 0.00 175.30 173.41 2v1w s VAL 32 N 0.50 1.97 0.21 7.11 1.01 -1.26 -0.90 120.40 129.04 2v1w s VAL 32 Ca -0.02 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.76 2v1w s VAL 32 Cb -0.04 -1.77 -0.08 0.00 0.00 0.00 0.00 36.38 34.48 2v1w s VAL 32 CO -0.03 0.53 1.04 -1.00 0.00 0.00 0.00 175.10 175.64 2v1w s HIS 33 N 1.16 3.71 0.18 5.22 0.09 -0.36 -4.97 115.29 120.32 2v1w s HIS 33 Ca 0.01 1.73 -0.33 0.00 -0.00 0.00 0.00 55.06 56.47 2v1w s HIS 33 Cb -0.14 -3.18 -0.14 0.00 -0.00 0.00 0.00 32.58 29.13 2v1w s HIS 33 CO -0.09 -0.23 1.59 0.00 -0.00 0.00 0.00 174.74 176.01 2v1w n ALA 34 N 1.88 1.59 -0.97 -1.40 0.00 -1.26 -1.99 120.51 118.36 2v1w n ALA 34 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.88 2v1w n ALA 34 Cb 0.46 -2.37 0.00 0.00 0.00 0.00 0.00 19.45 17.54 2v1w n ALA 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2v1w n GLY 35 N 3.38 0.72 3.75 0.00 0.00 -1.26 -5.02 105.19 106.77 2v1w n GLY 35 Ca 0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 2v1w n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2v1w s SER 36 N -2.53 3.60 0.30 1.61 1.04 -0.84 -4.80 113.70 112.08 2v1w s SER 36 Ca 0.00 1.23 -0.01 0.00 0.48 0.00 0.00 55.95 57.66 2v1w s SER 36 Cb 0.00 -1.90 0.49 0.00 0.10 0.00 0.00 66.02 64.71 2v1w s SER 36 CO 0.00 -2.52 1.94 0.11 0.98 0.00 0.00 173.24 173.74 2v1w h LYS 37 N -1.47 1.04 -0.19 4.02 1.57 -1.80 -0.66 116.57 119.08 2v1w h LYS 37 Ca -0.50 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.21 2v1w h LYS 37 Cb 1.30 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 2v1w h LYS 37 CO 0.59 0.69 0.11 0.00 -0.57 0.00 0.00 179.45 180.26 2v1w h ALA 38 N 1.49 0.24 -0.34 3.86 0.00 -1.39 -2.18 119.26 120.95 2v1w h ALA 38 Ca 0.35 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2v1w h ALA 38 Cb 0.05 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2v1w h ALA 38 CO -0.11 -0.24 0.19 0.00 0.00 0.00 0.00 179.25 179.08 2v1w h ALA 39 N 1.01 0.43 0.00 0.00 0.00 -1.68 -1.94 119.26 117.08 2v1w h ALA 39 Ca 0.07 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2v1w h ALA 39 Cb 0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2v1w h ALA 39 CO -0.01 -0.05 -0.04 -0.07 0.00 0.00 0.00 179.25 179.08 2v1w h LEU 40 N 0.42 0.00 -1.79 0.00 3.38 -1.00 -1.94 115.31 114.39 2v1w h LEU 40 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2v1w h LEU 40 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2v1w h LEU 40 CO -0.02 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.55 2v1w n ALA 41 N -2.14 2.45 -2.90 1.53 0.00 -0.83 -4.95 120.51 113.66 2v1w n ALA 41 Ca -0.01 -0.82 -0.09 0.00 0.00 0.00 0.00 53.44 52.52 2v1w n ALA 41 Cb 0.25 -0.97 0.03 0.00 0.00 0.00 0.00 19.45 18.75 2v1w n ALA 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2v1w n ALA 42 N 0.95 -0.50 -2.62 0.00 0.00 -0.73 -4.82 120.51 112.79 2v1w n ALA 42 Ca 0.18 0.15 -0.34 0.00 0.00 0.00 0.00 53.44 53.42 2v1w n ALA 42 Cb 0.45 -2.37 -0.05 0.00 0.00 0.00 0.00 19.45 17.48 2v1w n ALA 42 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2v1w s LEU 43 N -3.40 4.34 0.06 0.00 1.43 -0.75 -5.05 118.68 115.30 2v1w s LEU 43 Ca 0.22 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 54.08 2v1w s LEU 43 Cb -0.10 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.11 2v1w s LEU 43 CO 0.28 0.16 -0.12 0.00 0.23 0.00 0.00 176.35 176.89 2v1w n PRO 45 N 1.47 2.42 -0.23 0.00 -0.02 -1.26 -1.86 135.00 135.51 2v1w n PRO 45 Ca -0.21 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.12 2v1w n PRO 45 Cb 0.54 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.50 2v1w n PRO 45 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2v1w n GLY 46 N 0.88 1.20 3.75 -1.23 0.00 0.28 -5.01 105.19 105.06 2v1w n GLY 46 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2v1w n GLY 46 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2v1w s ASP 47 N -3.02 6.50 -0.23 1.61 1.01 -0.78 -4.60 116.67 117.16 2v1w s ASP 47 Ca 0.00 2.84 -0.14 0.00 0.71 0.00 0.00 52.55 55.97 2v1w s ASP 47 Cb 0.00 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 2v1w s ASP 47 CO 0.00 -0.80 0.31 -0.76 0.21 0.00 0.00 175.17 174.13 2v1w s LEU 48 N -0.83 4.12 -0.38 1.23 1.43 0.15 -0.54 118.68 123.85 2v1w s LEU 48 Ca 0.59 0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 53.78 2v1w s LEU 48 Cb -0.45 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.44 2v1w s LEU 48 CO 0.49 -0.04 0.81 -0.63 0.23 0.00 0.00 176.35 177.21 2v1w s ILE 49 N 1.34 4.69 -0.10 -0.59 1.01 -0.23 -1.05 121.20 126.27 2v1w s ILE 49 Ca 0.14 0.84 0.15 0.00 0.00 0.00 0.00 60.65 61.78 2v1w s ILE 49 Cb -0.14 -4.26 -0.22 0.00 0.01 0.00 0.00 42.46 37.84 2v1w s ILE 49 CO 0.07 -0.52 0.52 0.00 0.00 0.00 0.00 174.94 175.02 2v1w n GLN 50 N 6.55 0.65 -3.71 2.79 1.13 1.00 -4.72 117.38 121.07 2v1w n GLN 50 Ca 0.04 0.19 -0.14 0.00 -1.94 0.00 0.00 57.00 55.15 2v1w n GLN 50 Cb 0.48 -1.72 -0.09 0.00 0.11 0.00 0.00 30.24 29.03 2v1w n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2v1w s ALA 51 N -2.64 -1.06 -0.17 -1.58 0.00 -1.03 -1.29 121.76 113.99 2v1w s ALA 51 Ca -0.06 0.96 0.01 0.00 0.00 0.00 0.00 51.96 52.87 2v1w s ALA 51 Cb 0.08 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.82 2v1w s ALA 51 CO 0.83 -0.24 -0.20 0.42 0.00 0.00 0.00 175.76 176.56 2v1w s ILE 52 N -0.41 2.02 -1.62 0.00 1.01 -0.37 -1.12 121.20 120.72 2v1w s ILE 52 Ca -0.05 -0.93 -0.11 0.00 0.00 0.00 0.00 60.65 59.56 2v1w s ILE 52 Cb -0.03 -1.82 0.10 0.00 0.01 0.00 0.00 42.46 40.72 2v1w s ILE 52 CO 0.03 0.54 0.52 0.59 0.00 0.00 0.00 174.94 176.62 2v1w n ASN 53 N 4.46 -1.53 0.00 3.58 3.02 0.74 -1.10 115.26 124.43 2v1w n ASN 53 Ca -0.20 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.26 2v1w n ASN 53 Cb 0.50 -2.49 0.00 0.00 -0.61 0.00 0.00 39.78 37.19 2v1w n ASN 53 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2v1w n GLY 54 N -1.72 0.90 3.55 7.41 0.00 -1.26 -5.03 105.19 109.04 2v1w n GLY 54 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2v1w n GLY 54 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2v1w s GLU 55 N -0.19 3.76 0.38 1.61 2.12 -0.26 -5.08 118.70 121.04 2v1w s GLU 55 Ca 0.00 -0.45 -0.28 0.00 0.36 0.00 0.00 54.97 54.60 2v1w s GLU 55 Cb 0.00 -3.01 -0.11 0.00 0.26 0.00 0.00 34.13 31.27 2v1w s GLU 55 CO 0.00 0.27 1.48 0.45 -0.54 0.00 0.00 175.26 176.92 2v1w s SER 56 N 0.31 6.36 0.00 -1.70 0.15 -1.26 -1.23 113.70 116.32 2v1w s SER 56 Ca -0.01 3.03 0.28 0.00 0.70 0.00 0.00 55.95 59.95 2v1w s SER 56 Cb -0.13 -2.67 1.06 0.00 -1.71 0.00 0.00 66.02 62.56 2v1w s SER 56 CO 0.02 -0.86 1.75 0.35 1.20 0.00 0.00 173.24 175.69 2v1w n THR 57 N 0.46 0.00 -0.24 6.45 -2.24 -0.41 -4.65 114.28 113.64 2v1w n THR 57 Ca 0.01 -0.25 0.03 0.00 -2.27 0.00 0.00 64.05 61.57 2v1w n THR 57 Cb 0.39 0.49 0.12 0.00 -2.10 0.00 0.00 70.33 69.24 2v1w n THR 57 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2v1w h GLU 58 N 2.33 0.07 -0.32 -0.78 4.81 -1.91 -1.21 114.58 117.57 2v1w h GLU 58 Ca 0.00 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2v1w h GLU 58 Cb 0.50 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2v1w h GLU 58 CO 0.00 0.04 0.00 1.28 -0.73 0.00 0.00 179.01 179.60 2v1w n LEU 59 N -5.38 3.79 -4.74 1.64 4.77 -1.26 -4.86 117.00 110.96 2v1w n LEU 59 Ca 0.11 -2.71 -0.41 0.00 -0.03 0.00 0.00 56.01 52.97 2v1w n LEU 59 Cb 0.42 -0.47 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 2v1w n LEU 59 CO 0.05 0.69 0.78 -0.04 -1.33 0.00 0.00 177.39 177.54 2v1w s MET 60 N -2.29 4.62 0.86 3.23 -1.94 -0.46 -4.79 119.30 118.53 2v1w s MET 60 Ca 0.38 1.71 -0.12 0.00 -1.71 0.00 0.00 55.69 55.95 2v1w s MET 60 Cb 0.29 -3.27 0.11 0.00 2.01 0.00 0.00 34.83 33.97 2v1w s MET 60 CO 0.12 0.13 1.13 0.95 -0.01 0.00 0.00 175.02 177.34 2v1w s THR 61 N -0.45 2.35 0.14 2.05 -4.23 -1.26 -1.00 115.64 113.24 2v1w s THR 61 Ca 0.48 0.11 -0.21 0.00 -1.18 0.00 0.00 61.69 60.89 2v1w s THR 61 Cb -0.29 -2.90 0.01 0.00 1.34 0.00 0.00 72.50 70.66 2v1w s THR 61 CO 0.35 -0.15 1.67 -0.74 -0.54 0.00 0.00 174.62 175.21 2v1w h HIS 62 N -1.31 -0.35 -0.98 3.99 2.76 -1.87 -1.83 115.15 115.56 2v1w h HIS 62 Ca -0.49 0.03 0.01 0.00 -2.20 0.00 0.00 60.37 57.72 2v1w h HIS 62 Cb 1.31 0.19 -0.05 0.00 1.55 0.00 0.00 27.41 30.41 2v1w h HIS 62 CO 0.35 -0.21 0.65 1.25 -1.30 0.00 0.00 177.93 178.67 2v1w h LEU 63 N -0.14 1.12 -0.52 0.26 5.85 -1.93 0.43 115.31 120.38 2v1w h LEU 63 Ca 0.12 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2v1w h LEU 63 Cb 0.31 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2v1w h LEU 63 CO -0.29 0.80 0.24 -0.33 -0.34 0.00 0.00 178.44 178.53 2v1w h GLU 64 N 1.32 0.76 -0.19 1.25 5.08 -1.87 0.57 114.58 121.51 2v1w h GLU 64 Ca 0.37 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.57 2v1w h GLU 64 Cb -0.13 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 2v1w h GLU 64 CO -0.08 0.65 -0.03 0.00 -1.00 0.00 0.00 179.01 178.55 2v1w h ALA 65 N 1.08 0.26 -0.03 3.43 0.00 -0.97 -1.95 119.26 121.07 2v1w h ALA 65 Ca 0.18 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2v1w h ALA 65 Cb 0.15 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2v1w h ALA 65 CO -0.02 0.01 -0.19 0.37 0.00 0.00 0.00 179.25 179.42 2v1w h GLN 66 N 0.08 -0.28 -0.99 0.00 4.15 -0.78 -0.67 115.11 116.63 2v1w h GLN 66 Ca 0.05 0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.57 2v1w h GLN 66 Cb 0.45 0.06 -0.07 0.00 0.21 0.00 0.00 27.48 28.13 2v1w h GLN 66 CO 0.01 -0.19 0.63 -0.91 -1.93 0.00 0.00 178.83 176.45 2v1w h ASN 67 N -0.29 1.00 0.15 -0.69 2.35 -0.84 -2.47 115.58 114.79 2v1w h ASN 67 Ca 0.07 0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.67 2v1w h ASN 67 Cb 0.38 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.55 2v1w h ASN 67 CO -0.20 0.62 -0.60 0.03 -1.65 0.00 0.00 177.43 175.63 2v1w h ARG 68 N 1.12 0.45 -0.24 0.81 -0.00 -1.02 -1.73 114.38 113.77 2v1w h ARG 68 Ca 0.44 -0.30 -0.00 0.00 -0.50 0.00 0.00 59.98 59.61 2v1w h ARG 68 Cb 0.23 0.04 -0.01 0.00 0.00 0.00 0.00 29.97 30.23 2v1w h ARG 68 CO -0.19 0.91 0.13 0.82 0.00 0.00 0.00 179.97 181.64 2v1w h ILE 69 N 0.33 1.08 -0.46 2.04 2.04 -0.76 -0.58 117.51 121.20 2v1w h ILE 69 Ca -0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2v1w h ILE 69 Cb 1.14 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 2v1w h ILE 69 CO 0.11 0.09 0.00 0.29 0.00 0.00 0.00 178.15 178.63 2v1w n LYS 70 N -4.47 2.26 -0.11 2.37 5.02 -0.91 -4.52 118.16 117.80 2v1w n LYS 70 Ca 0.01 -1.75 -0.11 0.00 -2.02 0.00 0.00 58.31 54.44 2v1w n LYS 70 Cb 0.10 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 2v1w n LYS 70 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 2v1w h GLY 71 N 4.90 0.67 -4.91 0.72 0.00 -0.21 -3.42 103.07 100.81 2v1w h GLY 71 Ca 0.00 -0.55 -0.68 0.00 0.00 0.00 0.00 47.33 46.11 2v1w h GLY 71 CO 0.04 0.50 -0.70 0.00 0.00 0.00 0.00 176.54 176.38 2v1w h HIS 73 N 4.81 0.33 0.00 0.00 -0.00 -1.94 -3.37 115.15 114.97 2v1w h HIS 73 Ca -0.49 -0.23 -0.05 0.00 -0.00 0.00 0.00 60.37 59.60 2v1w h HIS 73 Cb 1.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 28.56 2v1w h HIS 73 CO 0.57 1.17 -0.23 0.38 -0.00 0.00 0.00 177.93 179.82 2v1w h ASP 74 N -0.60 0.00 -5.30 2.45 3.04 -1.96 -3.36 116.42 110.69 2v1w h ASP 74 Ca -0.08 0.00 0.18 0.00 -3.24 0.00 0.00 57.03 53.89 2v1w h ASP 74 Cb 1.36 0.00 -0.09 0.00 -1.04 0.00 0.00 39.33 39.56 2v1w h ASP 74 CO 0.09 0.23 0.51 -1.38 -2.04 0.00 0.00 179.24 176.65 2v1w s HIS 75 N -4.17 -0.14 -0.04 4.15 -0.00 -1.26 0.19 115.29 114.01 2v1w s HIS 75 Ca -0.02 -0.14 -0.03 0.00 -0.00 0.00 0.00 55.06 54.87 2v1w s HIS 75 Cb 0.13 0.62 0.02 0.00 -0.00 0.00 0.00 32.58 33.36 2v1w s HIS 75 CO 0.65 -0.76 0.11 -1.17 -0.00 0.00 0.00 174.74 173.57 2v1w s LEU 76 N -2.90 1.29 -0.10 5.38 2.96 -0.41 -4.47 118.68 120.42 2v1w s LEU 76 Ca 0.12 0.21 0.04 0.00 -0.22 0.00 0.00 54.13 54.28 2v1w s LEU 76 Cb -0.01 0.30 -0.00 0.00 0.50 0.00 0.00 46.19 46.98 2v1w s LEU 76 CO 0.01 -0.08 -0.23 -0.89 -1.32 0.00 0.00 176.35 173.84 2v1w s THR 77 N 0.50 2.19 -0.03 3.68 2.01 -1.26 -0.13 115.64 122.60 2v1w s THR 77 Ca -0.04 -0.98 0.06 0.00 0.31 0.00 0.00 61.69 61.05 2v1w s THR 77 Cb -0.05 -1.84 -0.01 0.00 0.01 0.00 0.00 72.50 70.60 2v1w s THR 77 CO -0.02 0.56 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.49 2v1w s LEU 78 N 0.30 2.02 -0.24 4.42 1.43 -0.37 -0.18 118.68 126.07 2v1w s LEU 78 Ca -0.17 -0.41 -0.09 0.00 -1.03 0.00 0.00 54.13 52.43 2v1w s LEU 78 Cb -0.17 -1.15 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 2v1w s LEU 78 CO 0.08 0.24 0.13 -0.55 0.23 0.00 0.00 176.35 176.49 2v1w s SER 79 N -0.33 5.85 0.07 2.29 0.15 -0.27 -0.49 113.70 120.97 2v1w s SER 79 Ca 0.04 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.77 2v1w s SER 79 Cb -0.10 -2.05 -0.03 0.00 -1.71 0.00 0.00 66.02 62.13 2v1w s SER 79 CO 0.01 0.05 -0.12 0.68 1.20 0.00 0.00 173.24 175.05 2v1w s VAL 80 N 1.12 1.01 0.21 4.45 -7.23 0.08 -0.00 120.40 120.04 2v1w s VAL 80 Ca 0.06 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 58.89 2v1w s VAL 80 Cb -0.14 -1.07 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 2v1w s VAL 80 CO 0.05 -0.32 0.07 -0.94 -0.31 0.00 0.00 175.10 173.65 2v1w s SER 81 N -1.87 0.91 0.30 4.85 1.04 -0.21 -1.36 113.70 117.36 2v1w s SER 81 Ca -0.01 -1.31 -0.00 0.00 0.48 0.00 0.00 55.95 55.11 2v1w s SER 81 Cb -0.09 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.20 2v1w s SER 81 CO 0.02 -0.71 0.51 -0.13 0.98 0.00 0.00 173.24 173.91 2v1w s ARG 82 N -4.03 3.51 0.62 4.02 1.81 -1.26 -0.68 118.95 122.95 2v1w s ARG 82 Ca 0.33 -0.32 -0.18 0.00 -1.72 0.00 0.00 55.73 53.83 2v1w s ARG 82 Cb 0.07 -2.71 -0.02 0.00 -0.45 0.00 0.00 34.95 31.84 2v1w s ARG 82 CO 0.09 0.23 1.26 -1.25 -0.68 0.00 0.00 175.30 174.95 2v1w s PRO 83 N -4.00 2.73 0.63 3.54 0.04 -1.26 -2.04 135.00 134.63 2v1w s PRO 83 Ca 0.40 1.96 -0.18 0.00 0.04 0.00 0.00 61.00 63.22 2v1w s PRO 83 Cb -0.10 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 2v1w s PRO 83 CO 0.33 -1.43 1.23 -1.21 0.04 0.00 0.00 177.00 175.97 2v1w s GLU 84 N -3.36 2.73 -0.18 4.56 0.41 -1.26 -3.17 118.70 118.43 2v1w s GLU 84 Ca 0.80 1.89 0.00 0.00 -0.41 0.00 0.00 54.97 57.25 2v1w s GLU 84 Cb -0.34 -1.89 0.00 0.00 -1.78 0.00 0.00 34.13 30.12 2v1w s GLU 84 CO 0.37 -1.41 0.00 0.41 -0.49 0.00 0.00 175.26 174.14 2v1w n GLY 85 N 0.61 0.50 3.06 -1.39 0.00 -1.26 -5.01 105.19 101.70 2v1w n GLY 85 Ca 0.14 -1.00 -0.22 0.00 0.00 0.00 0.00 46.02 44.94 2v1w n GLY 85 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2v1w s GLU 86 N -2.26 1.16 0.01 1.61 2.12 -1.19 -5.15 118.70 115.00 2v1w s GLU 86 Ca 0.00 -0.42 0.00 0.00 0.36 0.00 0.00 54.97 54.91 2v1w s GLU 86 Cb 0.00 -1.08 -0.01 0.00 0.26 0.00 0.00 34.13 33.31 2v1w s GLU 86 CO 0.00 0.20 -0.02 -1.12 -0.54 0.00 0.00 175.26 173.78 2v1w s SER 87 N -0.02 0.22 -0.23 -1.70 0.01 -1.26 -4.88 113.70 105.84 2v1w s SER 87 Ca -0.00 -0.22 -0.08 0.00 1.31 0.00 0.00 55.95 56.96 2v1w s SER 87 Cb -0.08 0.03 -0.04 0.00 0.21 0.00 0.00 66.02 66.14 2v1w s SER 87 CO 0.00 -0.11 0.09 -1.81 0.41 0.00 0.00 173.24 171.82 2v1w s ASP 88 N -0.63 5.42 0.00 2.44 1.01 -1.26 -5.26 116.67 118.39 2v1w s ASP 88 Ca -0.06 -0.09 0.00 0.00 0.71 0.00 0.00 52.55 53.11 2v1w s ASP 88 Cb -0.04 -1.97 0.00 0.00 1.01 0.00 0.00 42.92 41.92 2v1w s ASP 88 CO -0.00 0.03 0.40 0.18 0.21 0.00 0.00 175.17 175.99