#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrn n ILE 4 N 0.00 0.19 -4.01 -0.18 -0.00 -1.26 -1.70 119.36 112.41 2wrn n ILE 4 Ca 0.00 -0.03 -0.34 0.00 -0.00 0.00 0.00 62.75 62.37 2wrn n ILE 4 Cb 0.00 -1.74 -0.15 0.00 -0.00 0.00 0.00 39.64 37.75 2wrn n ILE 4 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 2wrn s ARG 5 N 1.92 3.27 -0.17 0.38 3.52 -1.26 -3.33 118.95 123.28 2wrn s ARG 5 Ca 0.82 -0.68 -0.02 0.00 -0.13 0.00 0.00 55.73 55.72 2wrn s ARG 5 Cb -0.64 -2.87 -0.01 0.00 -1.56 0.00 0.00 34.95 29.87 2wrn s ARG 5 CO 0.40 -0.18 -0.09 0.96 -0.81 0.00 0.00 175.30 175.59 2wrn s ILE 6 N 1.37 3.22 0.06 4.11 -4.36 -0.65 -3.01 121.20 121.94 2wrn s ILE 6 Ca 0.05 -0.57 0.04 0.00 -0.26 0.00 0.00 60.65 59.91 2wrn s ILE 6 Cb -0.14 -2.41 -0.04 0.00 1.25 0.00 0.00 42.46 41.12 2wrn s ILE 6 CO -0.05 0.48 -0.03 -0.54 0.24 0.00 0.00 174.94 175.03 2wrn s LYS 7 N 0.87 2.51 -0.03 0.37 1.02 -1.23 -0.93 119.74 122.33 2wrn s LYS 7 Ca -0.02 -0.81 -0.03 0.00 0.02 0.00 0.00 55.97 55.12 2wrn s LYS 7 Cb -0.15 -2.51 0.01 0.00 -0.52 0.00 0.00 37.83 34.66 2wrn s LYS 7 CO 0.01 0.56 0.09 -0.51 -0.92 0.00 0.00 175.35 174.58 2wrn s LEU 8 N -1.99 1.65 -0.33 3.17 1.02 0.35 -0.00 118.68 122.54 2wrn s LEU 8 Ca 0.22 0.18 0.01 0.00 0.02 0.00 0.00 54.13 54.56 2wrn s LEU 8 Cb -0.11 0.32 0.14 0.00 0.02 0.00 0.00 46.19 46.56 2wrn s LEU 8 CO 0.14 -0.04 0.31 -0.13 0.02 0.00 0.00 176.35 176.65 2wrn s ARG 9 N 0.03 0.47 0.25 1.70 0.52 -1.19 0.71 118.95 121.44 2wrn s ARG 9 Ca -0.00 -0.63 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 2wrn s ARG 9 Cb -0.01 -0.81 0.03 0.00 0.52 0.00 0.00 34.95 34.68 2wrn s ARG 9 CO 0.00 -1.12 0.22 0.41 0.02 0.00 0.00 175.30 174.82 2wrn n GLY 10 N 4.69 2.74 1.19 -3.53 0.00 -1.20 -4.30 105.19 104.78 2wrn n GLY 10 Ca 0.05 -2.22 0.08 0.00 0.00 0.00 0.00 46.02 43.94 2wrn n GLY 10 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2wrn n PHE 11 N -1.17 1.07 -3.48 1.61 0.99 -1.26 -2.05 117.46 113.16 2wrn n PHE 11 Ca 0.01 -0.62 -0.16 0.00 -0.00 0.00 0.00 57.45 56.67 2wrn n PHE 11 Cb 0.28 -0.18 -0.12 0.00 -1.00 0.00 0.00 39.48 38.46 2wrn n PHE 11 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2wrn s ASP 12 N -1.13 1.04 0.00 4.37 3.68 -1.26 -4.94 116.67 118.43 2wrn s ASP 12 Ca 0.42 -0.04 0.00 0.00 2.13 0.00 0.00 52.55 55.05 2wrn s ASP 12 Cb 0.27 0.55 0.00 0.00 -1.45 0.00 0.00 42.92 42.29 2wrn s ASP 12 CO 0.20 -0.31 0.01 0.00 0.13 0.00 0.00 175.17 175.20 2wrn n HIS 13 N 5.33 0.00 0.05 -5.34 1.44 -1.26 -0.48 115.22 114.96 2wrn n HIS 13 Ca -0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.66 2wrn n HIS 13 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 2wrn n HIS 13 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2wrn n LYS 14 N -0.39 0.00 -0.08 -1.40 4.81 -1.26 -3.70 118.16 116.14 2wrn n LYS 14 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wrn n LYS 14 Cb 0.00 -0.46 0.00 0.00 0.02 0.00 0.00 35.03 34.59 2wrn n LYS 14 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2wrn n THR 15 N -3.42 0.42 0.17 3.15 -2.24 0.37 -2.82 114.28 109.91 2wrn n THR 15 Ca 0.00 -0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2wrn n THR 15 Cb 0.00 -0.95 0.00 0.00 -2.10 0.00 0.00 70.33 67.28 2wrn n THR 15 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2wrn n LEU 16 N 1.52 -3.07 -0.35 3.22 -0.00 -0.91 -4.70 117.00 112.73 2wrn n LEU 16 Ca 0.00 0.73 0.27 0.00 -0.00 0.00 0.00 56.01 57.01 2wrn n LEU 16 Cb 0.13 2.97 0.52 0.00 -0.00 0.00 0.00 43.42 47.04 2wrn n LEU 16 CO 0.00 0.17 1.13 -0.78 -0.00 0.00 0.00 177.39 177.91 2wrn h ASP 17 N 0.00 0.44 0.00 1.96 3.58 -1.60 1.44 116.42 122.24 2wrn h ASP 17 Ca 0.00 0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2wrn h ASP 17 Cb 0.00 0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.20 2wrn h ASP 17 CO 0.00 -0.18 -0.17 0.00 -2.88 0.00 0.00 179.24 176.02 2wrn h ALA 18 N 1.82 0.02 -0.33 -0.78 0.00 -1.81 -2.27 119.26 115.91 2wrn h ALA 18 Ca 0.76 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.49 2wrn h ALA 18 Cb 1.89 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.79 2wrn h ALA 18 CO -0.59 0.13 0.48 0.66 0.00 0.00 0.00 179.25 179.94 2wrn h SER 19 N -1.00 0.00 0.37 0.00 4.64 -1.45 2.43 113.55 118.54 2wrn h SER 19 Ca -0.02 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.02 2wrn h SER 19 Cb 0.40 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2wrn h SER 19 CO -0.01 0.00 -1.19 0.00 -0.87 0.00 0.00 176.83 174.75 2wrn h ALA 20 N 1.34 0.11 0.00 5.18 0.00 0.19 -3.12 119.26 122.96 2wrn h ALA 20 Ca 0.16 -0.80 0.00 0.00 0.00 0.00 0.00 54.91 54.26 2wrn h ALA 20 Cb 1.12 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wrn h ALA 20 CO -0.00 0.82 -0.15 0.94 0.00 0.00 0.00 179.25 180.86 2wrn n GLN 21 N -3.68 0.20 0.00 0.00 7.27 0.70 -2.63 117.38 119.24 2wrn n GLN 21 Ca -0.10 0.14 0.09 0.00 0.07 0.00 0.00 57.00 57.19 2wrn n GLN 21 Cb 0.97 -1.71 0.53 0.00 2.41 0.00 0.00 30.24 32.44 2wrn n GLN 21 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 2wrn n LYS 22 N -2.04 0.72 -3.17 3.69 0.00 0.51 -3.32 118.16 114.55 2wrn n LYS 22 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 58.31 58.10 2wrn n LYS 22 Cb 0.41 -1.39 -0.06 0.00 0.00 0.00 0.00 35.03 34.00 2wrn n LYS 22 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2wrn n ILE 23 N -0.89 2.44 0.00 3.15 5.41 -1.08 -4.45 119.36 123.95 2wrn n ILE 23 Ca 0.13 -5.31 0.00 0.00 1.00 0.00 0.00 62.75 58.57 2wrn n ILE 23 Cb 0.06 -1.67 0.00 0.00 -0.71 0.00 0.00 39.64 37.32 2wrn n ILE 23 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2wrn n VAL 24 N 0.32 0.00 0.28 1.39 0.31 -1.21 -4.81 118.33 114.62 2wrn n VAL 24 Ca 0.30 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.77 2wrn n VAL 24 Cb 0.42 0.00 0.77 0.00 -0.91 0.00 0.00 33.84 34.12 2wrn n VAL 24 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 2wrn h GLU 25 N 0.00 0.00 -0.98 5.55 4.11 -1.85 3.31 114.58 124.72 2wrn h GLU 25 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.36 58.77 2wrn h GLU 25 Cb 0.00 0.00 -0.30 0.00 0.50 0.00 0.00 28.75 28.95 2wrn h GLU 25 CO 0.00 0.00 0.78 0.00 0.07 0.00 0.00 179.01 179.86 2wrn n ALA 26 N -1.85 6.22 0.18 1.06 0.00 -1.26 -3.41 120.51 121.45 2wrn n ALA 26 Ca -0.02 -3.45 0.00 0.00 0.00 0.00 0.00 53.44 49.97 2wrn n ALA 26 Cb 0.28 -1.68 0.00 0.00 0.00 0.00 0.00 19.45 18.04 2wrn n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn n ALA 27 N -0.93 0.00 0.28 0.00 0.00 1.03 -4.58 120.51 116.31 2wrn n ALA 27 Ca 0.62 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.89 2wrn n ALA 27 Cb 0.76 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 20.12 2wrn n ALA 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wrn h ARG 28 N 0.00 -0.77 -0.27 0.00 3.08 0.57 4.17 114.38 121.16 2wrn h ARG 28 Ca 0.00 0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2wrn h ARG 28 Cb 0.00 0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2wrn h ARG 28 CO 0.00 -0.52 0.00 -2.13 -1.07 0.00 0.00 179.97 176.25 2wrn n ARG 29 N -5.47 0.43 0.00 0.04 0.63 -1.22 -1.85 116.66 109.22 2wrn n ARG 29 Ca -0.11 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.82 2wrn n ARG 29 Cb 0.36 -1.13 0.00 0.00 0.45 0.00 0.00 32.46 32.14 2wrn n ARG 29 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 2wrn n SER 30 N -0.01 1.30 0.00 6.15 3.41 0.24 -4.95 113.62 119.76 2wrn n SER 30 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wrn n SER 30 Cb 0.07 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 2wrn n SER 30 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wrn n GLY 31 N 0.78 0.93 3.56 5.00 0.00 1.31 -4.16 105.19 112.61 2wrn n GLY 31 Ca 0.00 -0.32 -0.50 0.00 0.00 0.00 0.00 46.02 45.20 2wrn n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wrn n ALA 32 N -3.00 -1.22 -1.12 4.61 0.00 -1.25 -4.37 120.51 114.15 2wrn n ALA 32 Ca 0.00 0.48 -0.37 0.00 0.00 0.00 0.00 53.44 53.55 2wrn n ALA 32 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 19.45 17.51 2wrn n ALA 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2wrn n GLN 33 N 1.70 0.02 -5.18 0.00 1.13 -1.26 -4.61 117.38 109.18 2wrn n GLN 33 Ca 0.16 0.01 -0.31 0.00 -1.94 0.00 0.00 57.00 54.92 2wrn n GLN 33 Cb 0.23 -1.12 -0.17 0.00 0.11 0.00 0.00 30.24 29.29 2wrn n GLN 33 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2wrn s VAL 34 N -2.00 1.97 -0.01 5.09 1.01 -1.26 -3.55 120.40 121.64 2wrn s VAL 34 Ca 0.50 -0.99 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2wrn s VAL 34 Cb -0.33 -1.69 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 2wrn s VAL 34 CO 0.73 0.54 1.73 -0.94 0.00 0.00 0.00 175.10 177.16 2wrn s SER 35 N 0.13 6.61 0.25 3.32 1.04 -1.10 -4.89 113.70 119.06 2wrn s SER 35 Ca -0.11 2.38 -0.21 0.00 0.48 0.00 0.00 55.95 58.49 2wrn s SER 35 Cb -0.16 -2.54 -0.14 0.00 0.10 0.00 0.00 66.02 63.29 2wrn s SER 35 CO 0.06 -0.95 0.25 0.61 0.98 0.00 0.00 173.24 174.20 2wrn n GLY 36 N 4.21 -1.87 3.57 7.32 0.00 -1.26 -3.93 105.19 113.23 2wrn n GLY 36 Ca 0.18 0.14 -0.45 0.00 0.00 0.00 0.00 46.02 45.89 2wrn n GLY 36 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2wrn n PRO 37 N 0.98 1.85 -2.39 1.61 -0.02 -1.26 -4.79 135.00 130.98 2wrn n PRO 37 Ca 0.12 0.53 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 2wrn n PRO 37 Cb 0.27 -3.03 -0.02 0.00 -0.02 0.00 0.00 33.50 30.70 2wrn n PRO 37 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2wrn s ILE 38 N 7.64 4.20 0.14 4.25 -4.36 -0.47 -4.92 121.20 127.69 2wrn s ILE 38 Ca 1.02 1.44 -0.30 0.00 -0.26 0.00 0.00 60.65 62.54 2wrn s ILE 38 Cb -0.47 -3.98 -0.07 0.00 1.25 0.00 0.00 42.46 39.19 2wrn s ILE 38 CO 0.39 -0.18 1.19 -2.16 0.24 0.00 0.00 174.94 174.42 2wrn s PRO 39 N 3.67 4.48 0.14 0.37 0.04 -1.26 -3.54 135.00 138.89 2wrn s PRO 39 Ca 0.57 1.83 0.04 0.00 0.04 0.00 0.00 61.00 63.48 2wrn s PRO 39 Cb -0.22 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 2wrn s PRO 39 CO 0.17 -0.13 -0.10 -0.48 0.04 0.00 0.00 177.00 176.49 2wrn s LEU 40 N 0.20 2.52 -0.02 -3.56 2.34 -1.23 -5.06 118.68 113.88 2wrn s LEU 40 Ca 0.55 -0.99 -0.38 0.00 0.06 0.00 0.00 54.13 53.37 2wrn s LEU 40 Cb -0.31 -0.34 -0.17 0.00 -0.56 0.00 0.00 46.19 44.81 2wrn s LEU 40 CO 0.34 -0.32 1.44 -0.81 -1.06 0.00 0.00 176.35 175.94 2wrn n PRO 41 N -0.12 1.12 -2.53 1.48 -0.04 -1.26 -4.43 135.00 129.21 2wrn n PRO 41 Ca -0.11 0.40 -0.30 0.00 -0.04 0.00 0.00 63.50 63.46 2wrn n PRO 41 Cb 0.60 -2.05 -0.02 0.00 -0.04 0.00 0.00 33.50 31.99 2wrn n PRO 41 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2wrn s THR 42 N 1.29 4.76 -0.50 0.52 2.01 -1.26 -4.53 115.64 117.94 2wrn s THR 42 Ca 0.88 0.67 -0.07 0.00 0.31 0.00 0.00 61.69 63.49 2wrn s THR 42 Cb -1.00 -3.79 0.13 0.00 0.01 0.00 0.00 72.50 67.85 2wrn s THR 42 CO 0.52 -0.75 0.34 -0.13 -0.69 0.00 0.00 174.62 173.91 2wrn s ARG 43 N -4.37 2.41 -0.98 4.92 1.81 -0.72 -4.96 118.95 117.06 2wrn s ARG 43 Ca 0.52 -1.94 -0.24 0.00 -1.72 0.00 0.00 55.73 52.36 2wrn s ARG 43 Cb -0.10 -3.82 0.05 0.00 -0.45 0.00 0.00 34.95 30.62 2wrn s ARG 43 CO 0.39 -1.16 1.42 0.08 -0.68 0.00 0.00 175.30 175.35 2wrn s VAL 44 N 1.00 3.91 -1.16 3.52 1.01 -1.26 -2.15 120.40 125.27 2wrn s VAL 44 Ca 0.09 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.26 2wrn s VAL 44 Cb -0.23 -5.03 0.06 0.00 0.00 0.00 0.00 36.38 31.17 2wrn s VAL 44 CO -0.03 -1.92 1.60 -0.60 0.00 0.00 0.00 175.10 174.16 2wrn s ARG 45 N 5.04 3.78 1.15 2.72 3.52 -1.08 -4.90 118.95 129.18 2wrn s ARG 45 Ca 0.44 -1.56 -0.16 0.00 -0.13 0.00 0.00 55.73 54.32 2wrn s ARG 45 Cb -0.01 -5.45 0.26 0.00 -1.56 0.00 0.00 34.95 28.19 2wrn s ARG 45 CO -0.06 -2.26 1.07 1.03 -0.81 0.00 0.00 175.30 174.27 2wrn s ARG 46 N 4.63 -0.79 0.30 5.12 0.52 -1.26 -2.55 118.95 124.91 2wrn s ARG 46 Ca 0.50 0.32 -0.06 0.00 -0.52 0.00 0.00 55.73 55.97 2wrn s ARG 46 Cb 0.02 -1.61 -0.00 0.00 0.52 0.00 0.00 34.95 33.87 2wrn s ARG 46 CO -0.01 -3.51 0.44 -0.06 0.02 0.00 0.00 175.30 172.19 2wrn s PHE 47 N -2.81 0.85 -0.29 -0.53 0.40 -0.04 -4.88 117.98 110.67 2wrn s PHE 47 Ca 0.68 -1.13 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 2wrn s PHE 47 Cb -0.16 -0.04 0.14 0.00 0.51 0.00 0.00 43.02 43.46 2wrn s PHE 47 CO 0.58 -1.05 0.90 0.99 0.70 0.00 0.00 175.22 177.34 2wrn s THR 48 N -3.45 -0.22 -0.30 0.64 2.01 -1.26 -4.03 115.64 109.04 2wrn s THR 48 Ca 0.29 0.00 -0.08 0.00 0.31 0.00 0.00 61.69 62.21 2wrn s THR 48 Cb 0.00 -1.00 0.15 0.00 0.01 0.00 0.00 72.50 71.66 2wrn s THR 48 CO 0.16 0.00 0.65 0.54 -0.69 0.00 0.00 174.62 175.28 2wrn s VAL 49 N 1.81 -0.98 -0.11 3.82 0.11 -1.24 -5.02 120.40 118.80 2wrn s VAL 49 Ca -0.07 0.00 -0.41 0.00 -2.93 0.00 0.00 61.98 58.57 2wrn s VAL 49 Cb -0.05 -1.00 -0.19 0.00 -1.53 0.00 0.00 36.38 33.61 2wrn s VAL 49 CO -0.17 0.00 1.30 2.30 -3.33 0.00 0.00 175.10 175.20 2wrn n ILE 50 N 5.43 0.03 0.00 7.04 -0.00 -1.26 -3.08 119.36 127.52 2wrn n ILE 50 Ca -0.09 -0.01 0.00 0.00 -0.00 0.00 0.00 62.75 62.66 2wrn n ILE 50 Cb 0.50 -0.40 0.00 0.00 -0.00 0.00 0.00 39.64 39.74 2wrn n ILE 50 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2wrn n ARG 51 N 2.60 0.00 -1.34 6.28 1.74 -1.26 -4.74 116.66 119.94 2wrn n ARG 51 Ca 0.22 0.23 -0.41 0.00 -0.77 0.00 0.00 57.85 57.13 2wrn n ARG 51 Cb 0.08 -1.07 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 2wrn n ARG 51 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrn n GLY 52 N -0.71 -2.41 0.02 -0.13 0.00 -1.26 -4.86 105.19 95.83 2wrn n GLY 52 Ca 0.00 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2wrn n GLY 52 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wrn n PRO 53 N 1.08 0.05 0.00 1.61 -0.04 -1.26 -4.80 135.00 131.63 2wrn n PRO 53 Ca 0.11 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.60 2wrn n PRO 53 Cb 0.41 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2wrn n PRO 53 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wrn n PHE 54 N -1.63 0.00 -4.02 0.54 7.35 -1.26 -5.09 117.46 113.35 2wrn n PHE 54 Ca 0.06 0.00 -0.34 0.00 -0.76 0.00 0.00 57.45 56.42 2wrn n PHE 54 Cb 0.36 0.00 -0.15 0.00 0.35 0.00 0.00 39.48 40.03 2wrn n PHE 54 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2wrn s LYS 55 N 3.03 3.06 -0.17 -4.13 3.01 -1.26 -4.84 119.74 118.44 2wrn s LYS 55 Ca 0.00 -0.81 0.07 0.00 -1.01 0.00 0.00 55.97 54.22 2wrn s LYS 55 Cb 0.00 -2.79 0.21 0.00 -1.01 0.00 0.00 37.83 34.23 2wrn s LYS 55 CO 0.00 -0.25 1.05 0.72 0.51 0.00 0.00 175.35 177.38 2wrn n HIS 56 N 4.68 -1.05 -0.05 3.18 8.25 -1.26 -5.02 115.22 123.94 2wrn n HIS 56 Ca -0.19 -0.93 0.05 0.00 -0.26 0.00 0.00 57.72 56.39 2wrn n HIS 56 Cb 0.49 1.04 0.08 0.00 1.12 0.00 0.00 29.99 32.72 2wrn n HIS 56 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wrn n LYS 57 N -0.79 0.00 0.00 -0.41 4.76 -1.26 -3.95 118.16 116.51 2wrn n LYS 57 Ca -0.12 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.46 2wrn n LYS 57 Cb 0.70 -0.34 0.00 0.00 -1.84 0.00 0.00 35.03 33.55 2wrn n LYS 57 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wrn n ASP 58 N -1.80 0.00 0.00 4.39 8.00 -1.26 -4.80 116.55 121.08 2wrn n ASP 58 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.54 2wrn n ASP 58 Cb 0.23 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.33 2wrn n ASP 58 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2wrn n SER 59 N 0.00 0.00 0.00 -2.24 7.64 -1.25 -4.80 113.62 112.97 2wrn n SER 59 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2wrn n SER 59 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2wrn n SER 59 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2wrn n ARG 60 N 0.24 3.02 -3.62 1.43 1.74 -1.26 -4.10 116.66 114.11 2wrn n ARG 60 Ca 0.00 0.00 -0.06 0.00 -0.77 0.00 0.00 57.85 57.02 2wrn n ARG 60 Cb 0.00 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.36 2wrn n ARG 60 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2wrn s GLU 61 N 1.13 0.39 -0.01 5.56 2.12 -1.18 -4.59 118.70 122.12 2wrn s GLU 61 Ca 0.00 1.10 0.06 0.00 0.36 0.00 0.00 54.97 56.50 2wrn s GLU 61 Cb 0.00 0.42 -0.02 0.00 0.26 0.00 0.00 34.13 34.79 2wrn s GLU 61 CO 0.00 -0.27 -0.21 -3.38 -0.54 0.00 0.00 175.26 170.86 2wrn s HIS 62 N 2.68 1.85 0.28 5.30 -3.43 -1.26 -3.62 115.29 117.10 2wrn s HIS 62 Ca -0.01 -0.35 0.03 0.00 -0.80 0.00 0.00 55.06 53.92 2wrn s HIS 62 Cb -0.12 -1.19 -0.06 0.00 -1.43 0.00 0.00 32.58 29.78 2wrn s HIS 62 CO -0.15 -0.02 0.07 -0.59 -2.00 0.00 0.00 174.74 172.05 2wrn s PHE 63 N -0.50 1.72 0.22 0.38 -0.00 -1.26 -4.95 117.98 113.59 2wrn s PHE 63 Ca 0.08 -1.05 0.02 0.00 -0.00 0.00 0.00 56.93 55.97 2wrn s PHE 63 Cb -0.08 -1.06 -0.01 0.00 -0.00 0.00 0.00 43.02 41.87 2wrn s PHE 63 CO -0.01 -0.15 0.06 -0.85 -0.00 0.00 0.00 175.22 174.27 2wrn n GLU 64 N -0.55 0.86 -3.49 1.99 0.28 -1.26 -0.86 120.64 117.61 2wrn n GLU 64 Ca -0.02 -1.81 -0.22 0.00 -0.16 0.00 0.00 57.16 54.96 2wrn n GLU 64 Cb 0.66 0.89 -0.13 0.00 1.43 0.00 0.00 31.44 34.30 2wrn n GLU 64 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 2wrn s LEU 65 N 0.00 0.07 -0.51 -1.84 2.96 -1.06 -4.97 118.68 113.34 2wrn s LEU 65 Ca 0.09 -0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 52.98 2wrn s LEU 65 Cb 0.00 0.16 0.03 0.00 0.50 0.00 0.00 46.19 46.88 2wrn s LEU 65 CO 0.06 -0.38 1.21 -0.13 -1.32 0.00 0.00 176.35 175.79 2wrn s ARG 66 N 2.26 3.60 -0.60 1.98 0.52 -1.26 -2.62 118.95 122.84 2wrn s ARG 66 Ca 0.08 0.50 -0.21 0.00 -0.52 0.00 0.00 55.73 55.58 2wrn s ARG 66 Cb -0.15 -3.97 0.08 0.00 0.52 0.00 0.00 34.95 31.42 2wrn s ARG 66 CO -0.26 -1.55 0.81 -0.08 0.02 0.00 0.00 175.30 174.25 2wrn s THR 67 N 4.87 4.59 0.32 0.02 -1.32 -0.91 -4.61 115.64 118.60 2wrn s THR 67 Ca 0.48 -0.52 -0.27 0.00 -1.21 0.00 0.00 61.69 60.17 2wrn s THR 67 Cb -0.08 -4.53 -0.09 0.00 -1.51 0.00 0.00 72.50 66.28 2wrn s THR 67 CO 0.29 -1.19 1.05 -1.00 -2.21 0.00 0.00 174.62 171.56 2wrn s HIS 68 N 3.34 3.53 -0.12 9.09 3.76 -0.87 -1.76 115.29 132.25 2wrn s HIS 68 Ca 0.18 1.72 0.01 0.00 -0.15 0.00 0.00 55.06 56.82 2wrn s HIS 68 Cb -0.19 -3.16 -0.01 0.00 1.11 0.00 0.00 32.58 30.33 2wrn s HIS 68 CO 0.10 -0.38 -0.17 -0.80 -0.85 0.00 0.00 174.74 172.64 2wrn s ASN 69 N -1.22 3.66 -0.02 1.40 0.01 -1.26 -3.21 114.94 114.29 2wrn s ASN 69 Ca 0.49 -0.43 0.01 0.00 -0.71 0.00 0.00 52.86 52.22 2wrn s ASN 69 Cb -0.27 -1.54 0.02 0.00 0.41 0.00 0.00 41.25 39.87 2wrn s ASN 69 CO 0.34 0.15 -0.01 -0.13 -1.51 0.00 0.00 177.10 175.94 2wrn s ARG 70 N 0.42 0.28 -0.02 -0.60 1.81 0.22 -3.48 118.95 117.58 2wrn s ARG 70 Ca -0.13 0.01 -0.00 0.00 -1.72 0.00 0.00 55.73 53.88 2wrn s ARG 70 Cb -0.16 -0.38 0.02 0.00 -0.45 0.00 0.00 34.95 33.97 2wrn s ARG 70 CO 0.06 -0.06 0.03 -1.17 -0.68 0.00 0.00 175.30 173.48 2wrn s LEU 71 N 0.60 1.51 0.03 2.53 2.96 -1.23 0.13 118.68 125.21 2wrn s LEU 71 Ca -0.06 0.05 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2wrn s LEU 71 Cb -0.09 0.03 -0.02 0.00 0.50 0.00 0.00 46.19 46.61 2wrn s LEU 71 CO -0.01 -0.06 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.17 2wrn s VAL 72 N 0.51 0.71 0.43 1.68 1.01 -0.10 -1.37 120.40 123.27 2wrn s VAL 72 Ca -0.04 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.21 2wrn s VAL 72 Cb -0.06 -0.68 -0.04 0.00 0.00 0.00 0.00 36.38 35.60 2wrn s VAL 72 CO -0.02 -0.09 0.19 -1.81 0.00 0.00 0.00 175.10 173.38 2wrn s ASP 73 N -0.98 4.43 -0.18 3.32 1.01 -1.25 -1.63 116.67 121.38 2wrn s ASP 73 Ca -0.02 -1.14 -0.13 0.00 0.71 0.00 0.00 52.55 51.97 2wrn s ASP 73 Cb -0.07 -0.31 0.06 0.00 1.01 0.00 0.00 42.92 43.61 2wrn s ASP 73 CO 0.00 -0.63 0.46 0.27 0.21 0.00 0.00 175.17 175.49 2wrn s ILE 74 N -2.64 -0.01 -0.05 0.77 -4.36 -1.21 -2.71 121.20 110.98 2wrn s ILE 74 Ca 0.38 0.05 -0.11 0.00 -0.26 0.00 0.00 60.65 60.71 2wrn s ILE 74 Cb 0.03 -0.67 -0.06 0.00 1.25 0.00 0.00 42.46 43.01 2wrn s ILE 74 CO 0.21 0.02 0.45 0.16 0.24 0.00 0.00 174.94 176.02 2wrn h ILE 75 N 5.06 0.00 -3.78 8.37 3.07 -1.83 1.76 117.51 130.17 2wrn h ILE 75 Ca -0.33 -0.70 -0.66 0.00 1.55 0.00 0.00 64.86 64.73 2wrn h ILE 75 Cb 1.19 0.00 -0.38 0.00 -0.27 0.00 0.00 36.82 37.36 2wrn h ILE 75 CO 0.25 0.00 -0.77 0.20 -1.05 0.00 0.00 178.15 176.78 2wrn s ASN 76 N -5.04 4.52 0.72 2.16 -0.87 -1.26 -0.25 114.94 114.91 2wrn s ASN 76 Ca -0.06 -1.65 -0.16 0.00 -1.57 0.00 0.00 52.86 49.43 2wrn s ASN 76 Cb 0.01 -1.54 0.01 0.00 -0.02 0.00 0.00 41.25 39.70 2wrn s ASN 76 CO 0.17 -0.26 1.02 -0.81 -2.57 0.00 0.00 177.10 174.64 2wrn n PRO 77 N 4.39 0.55 -3.72 -0.60 -0.04 -1.26 -3.93 135.00 130.39 2wrn n PRO 77 Ca -0.08 0.25 -0.14 0.00 -0.04 0.00 0.00 63.50 63.49 2wrn n PRO 77 Cb 0.42 -2.27 -0.15 0.00 -0.04 0.00 0.00 33.50 31.47 2wrn n PRO 77 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2wrn s ASN 78 N -1.64 0.14 0.38 3.54 0.01 -1.26 -4.95 114.94 111.16 2wrn s ASN 78 Ca 0.74 0.33 0.26 0.00 -0.71 0.00 0.00 52.86 53.49 2wrn s ASN 78 Cb -0.35 0.24 1.38 0.00 0.41 0.00 0.00 41.25 42.94 2wrn s ASN 78 CO 0.49 -0.18 1.81 0.03 -1.51 0.00 0.00 177.10 177.74 2wrn h ARG 79 N 7.59 0.00 0.22 -0.60 2.47 -1.95 -1.24 114.38 120.87 2wrn h ARG 79 Ca -0.34 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.05 2wrn h ARG 79 Cb 1.13 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 29.48 2wrn h ARG 79 CO 0.33 0.00 -1.56 -0.22 0.56 0.00 0.00 179.97 179.08 2wrn h LYS 80 N 0.00 0.46 -0.92 0.04 3.64 -1.96 -3.24 116.57 114.59 2wrn h LYS 80 Ca 0.00 -0.78 0.05 0.00 -1.27 0.00 0.00 60.65 58.64 2wrn h LYS 80 Cb 0.07 0.29 -0.06 0.00 -0.41 0.00 0.00 32.23 32.12 2wrn h LYS 80 CO 0.00 1.37 0.59 1.79 -2.27 0.00 0.00 179.45 180.93 2wrn h THR 81 N 0.12 1.12 -0.52 1.00 1.35 -1.39 -1.81 112.91 112.78 2wrn h THR 81 Ca -0.28 -0.38 0.09 0.00 -0.55 0.00 0.00 66.41 65.29 2wrn h THR 81 Cb 2.13 -0.10 -0.07 0.00 -1.73 0.00 0.00 68.15 68.38 2wrn h THR 81 CO 0.23 0.20 0.09 0.40 -0.25 0.00 0.00 175.52 176.19 2wrn h ILE 82 N 1.12 0.69 -0.83 6.82 1.08 -1.55 0.75 117.51 125.59 2wrn h ILE 82 Ca 0.38 -0.07 0.24 0.00 -0.39 0.00 0.00 64.86 65.01 2wrn h ILE 82 Cb 0.07 0.45 -0.03 0.00 -3.07 0.00 0.00 36.82 34.23 2wrn h ILE 82 CO -0.14 0.04 0.80 -0.08 -0.69 0.00 0.00 178.15 178.08 2wrn h GLU 83 N 0.22 0.00 0.00 2.37 4.81 -1.35 0.62 114.58 121.24 2wrn h GLU 83 Ca 0.26 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.25 2wrn h GLU 83 Cb 0.37 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.71 2wrn h GLU 83 CO -0.36 0.00 -1.70 1.04 -0.73 0.00 0.00 179.01 177.27 2wrn n GLN 84 N -3.69 0.55 -0.06 1.92 6.02 0.91 -4.56 117.38 118.48 2wrn n GLN 84 Ca 0.17 0.31 -0.13 0.00 -0.01 0.00 0.00 57.00 57.34 2wrn n GLN 84 Cb 1.08 -1.52 -0.07 0.00 1.02 0.00 0.00 30.24 30.75 2wrn n GLN 84 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wrn h LEU 85 N -1.00 0.45 -3.42 1.08 3.38 0.12 -2.58 115.31 113.33 2wrn h LEU 85 Ca -0.37 -0.51 -0.31 0.00 0.09 0.00 0.00 57.88 56.79 2wrn h LEU 85 Cb 1.28 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 41.77 2wrn h LEU 85 CO -0.22 0.86 0.40 0.80 0.09 0.00 0.00 178.44 180.37 2wrn n MET 86 N -4.48 1.76 0.00 1.13 1.56 0.21 -4.49 117.12 112.80 2wrn n MET 86 Ca -0.06 -1.49 0.00 0.00 -0.27 0.00 0.00 57.70 55.87 2wrn n MET 86 Cb 0.40 -1.59 0.00 0.00 2.15 0.00 0.00 33.22 34.19 2wrn n MET 86 CO 0.00 0.00 0.00 0.25 -0.73 0.00 0.00 175.97 175.49 2wrn n THR 87 N 0.35 0.00 -2.23 1.12 -2.24 -1.23 -4.91 114.28 105.13 2wrn n THR 87 Ca 0.29 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.65 2wrn n THR 87 Cb 0.60 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 2wrn n THR 87 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2wrn n LEU 88 N -2.07 5.29 0.00 3.22 7.94 -0.97 -4.90 117.00 125.50 2wrn n LEU 88 Ca 0.00 -3.87 0.00 0.00 -1.11 0.00 0.00 56.01 51.03 2wrn n LEU 88 Cb 0.00 -1.70 0.00 0.00 0.53 0.00 0.00 43.42 42.25 2wrn n LEU 88 CO 0.00 0.23 0.00 0.47 -1.11 0.00 0.00 177.39 176.98 2wrn n ASP 89 N 8.22 0.00 0.00 1.96 8.00 -1.26 -4.88 116.55 128.58 2wrn n ASP 89 Ca 0.50 0.00 0.00 0.00 0.71 0.00 0.00 54.79 56.00 2wrn n ASP 89 Cb 0.44 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.54 2wrn n ASP 89 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2wrn n LEU 90 N 0.00 0.00 -4.27 0.64 7.94 -1.26 -5.12 117.00 114.92 2wrn n LEU 90 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 2wrn n LEU 90 Cb 0.00 0.00 -0.15 0.00 0.53 0.00 0.00 43.42 43.80 2wrn n LEU 90 CO 0.00 0.00 -0.48 -2.16 -1.11 0.00 0.00 177.39 173.64 2wrn s PRO 91 N 0.00 3.22 0.14 1.96 0.04 -1.26 -4.95 135.00 134.15 2wrn s PRO 91 Ca 0.00 -0.75 -0.23 0.00 0.04 0.00 0.00 61.00 60.06 2wrn s PRO 91 Cb 0.00 -2.61 0.01 0.00 0.04 0.00 0.00 34.50 31.94 2wrn s PRO 91 CO 0.00 0.05 1.64 0.00 0.04 0.00 0.00 177.00 178.72 2wrn h THR 92 N 5.64 0.42 -1.25 1.26 1.03 -2.02 -3.36 112.91 114.63 2wrn h THR 92 Ca -0.31 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.91 2wrn h THR 92 Cb 1.19 0.42 -0.21 0.00 -1.07 0.00 0.00 68.15 68.49 2wrn h THR 92 CO 0.56 0.00 -0.54 -0.83 -0.01 0.00 0.00 175.52 174.70 2wrn s GLY 93 N -2.73 -0.89 -0.06 2.99 0.00 -1.26 -5.14 107.32 100.23 2wrn s GLY 93 Ca -0.15 -0.37 -0.03 0.00 0.00 0.00 0.00 44.72 44.17 2wrn s GLY 93 CO 0.68 3.41 0.14 0.14 0.00 0.00 0.00 173.10 177.46 2wrn s VAL 94 N 1.35 -0.05 0.30 1.40 1.01 -1.26 -4.66 120.40 118.49 2wrn s VAL 94 Ca 0.22 0.17 -0.04 0.00 0.00 0.00 0.00 61.98 62.33 2wrn s VAL 94 Cb -0.04 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.05 2wrn s VAL 94 CO -0.06 0.07 0.55 -0.70 0.00 0.00 0.00 175.10 174.95 2wrn s GLU 95 N 1.09 3.60 0.30 2.72 2.56 -1.26 -4.91 118.70 122.80 2wrn s GLU 95 Ca -0.08 -0.07 -0.07 0.00 0.00 0.00 0.00 54.97 54.75 2wrn s GLU 95 Cb -0.11 -2.65 -0.00 0.00 2.00 0.00 0.00 34.13 33.37 2wrn s GLU 95 CO -0.06 0.20 0.47 0.96 -0.56 0.00 0.00 175.26 176.28 2wrn s ILE 96 N -2.13 0.00 -0.02 -3.70 -0.00 -1.23 -3.16 121.20 110.97 2wrn s ILE 96 Ca 0.43 -1.52 0.01 0.00 -0.00 0.00 0.00 60.65 59.57 2wrn s ILE 96 Cb -0.11 -2.48 0.01 0.00 -0.00 0.00 0.00 42.46 39.89 2wrn s ILE 96 CO 0.31 0.00 -0.03 -1.61 -0.00 0.00 0.00 174.94 173.61 2wrn s GLU 97 N -3.46 0.39 -0.23 0.37 0.41 1.00 -4.81 118.70 112.38 2wrn s GLU 97 Ca 0.27 -0.07 -0.07 0.00 -0.41 0.00 0.00 54.97 54.69 2wrn s GLU 97 Cb -0.00 -0.44 -0.03 0.00 -1.78 0.00 0.00 34.13 31.87 2wrn s GLU 97 CO 0.15 -0.01 0.07 -1.50 -0.49 0.00 0.00 175.26 173.48 2wrn s ILE 98 N 0.40 4.52 0.43 -1.63 1.10 -1.26 -3.54 121.20 121.21 2wrn s ILE 98 Ca -0.04 -0.11 0.03 0.00 -0.51 0.00 0.00 60.65 60.02 2wrn s ILE 98 Cb -0.07 -3.08 -0.02 0.00 0.15 0.00 0.00 42.46 39.43 2wrn s ILE 98 CO -0.01 0.38 0.11 -0.54 -2.11 0.00 0.00 174.94 172.77 2wrn s LYS 99 N 1.17 1.98 -0.47 3.50 -0.14 -1.17 -4.97 119.74 119.64 2wrn s LYS 99 Ca 0.05 -2.22 0.08 0.00 -1.36 0.00 0.00 55.97 52.51 2wrn s LYS 99 Cb -0.14 -0.77 0.28 0.00 -1.68 0.00 0.00 37.83 35.52 2wrn s LYS 99 CO 0.03 -0.46 0.67 2.41 -0.76 0.00 0.00 175.35 177.24 2wrn n THR 100 N -0.98 0.65 0.00 2.17 -1.04 -1.26 -4.22 114.28 109.60 2wrn n THR 100 Ca -0.08 -4.62 0.00 0.00 -2.04 0.00 0.00 64.05 57.31 2wrn n THR 100 Cb 0.65 -1.62 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 2wrn n THR 100 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95