#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c4p h SER 0 N 0.00 0.00 0.00 1.61 0.02 -1.98 -1.28 113.55 111.92 2c4p h SER 0 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2c4p h SER 0 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2c4p h SER 0 CO 0.00 0.00 0.00 0.80 -1.14 0.00 0.00 176.83 176.49 2c4p n MET 1 N -3.69 0.00 -0.05 3.45 0.00 -1.26 -2.19 117.12 113.38 2c4p n MET 1 Ca 0.14 0.48 -0.09 0.00 -0.00 0.00 0.00 57.70 58.23 2c4p n MET 1 Cb 0.95 -1.42 -0.02 0.00 0.00 0.00 0.00 33.22 32.72 2c4p n MET 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2c4p h ALA 2 N -1.90 0.27 -0.79 -5.12 0.00 -1.34 -1.27 119.26 109.11 2c4p h ALA 2 Ca 0.00 0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.07 2c4p h ALA 2 Cb 0.00 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2c4p h ALA 2 CO 0.00 -0.29 0.52 1.25 0.00 0.00 0.00 179.25 180.73 2c4p h LEU 3 N 0.24 0.44 0.06 0.00 5.85 -1.35 0.63 115.31 121.18 2c4p h LEU 3 Ca 0.09 0.03 -0.26 0.00 0.84 0.00 0.00 57.88 58.58 2c4p h LEU 3 Cb 0.02 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2c4p h LEU 3 CO -0.06 0.22 -1.17 0.11 -0.34 0.00 0.00 178.44 177.20 2c4p h LYS 4 N 0.46 0.25 -0.77 1.25 1.79 -1.22 -2.26 116.57 116.07 2c4p h LYS 4 Ca 0.39 -0.40 -0.02 0.00 -2.18 0.00 0.00 60.65 58.43 2c4p h LYS 4 Cb 0.84 0.15 -0.04 0.00 -1.58 0.00 0.00 32.23 31.60 2c4p h LYS 4 CO -0.14 1.17 0.39 -0.09 -1.08 0.00 0.00 179.45 179.71 2c4p h ARG 5 N 0.08 1.09 -0.00 3.15 9.65 0.12 -1.69 114.38 126.78 2c4p h ARG 5 Ca -0.11 -0.15 -0.00 0.00 -1.10 0.00 0.00 59.98 58.62 2c4p h ARG 5 Cb 1.89 -0.20 -0.00 0.00 -1.39 0.00 0.00 29.97 30.26 2c4p h ARG 5 CO 0.19 0.83 -0.00 0.82 2.80 0.00 0.00 179.97 184.61 2c4p h ILE 6 N 1.07 1.29 -0.88 1.20 2.04 -0.22 -1.13 117.51 120.88 2c4p h ILE 6 Ca 0.27 -0.86 0.16 0.00 1.00 0.00 0.00 64.86 65.42 2c4p h ILE 6 Cb 0.08 1.87 -0.16 0.00 -0.74 0.00 0.00 36.82 37.88 2c4p h ILE 6 CO -0.04 0.22 -0.32 -0.61 0.00 0.00 0.00 178.15 177.41 2c4p h GLN 7 N -0.36 -0.03 0.47 2.37 5.75 -1.05 0.87 115.11 123.13 2c4p h GLN 7 Ca 0.00 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 2c4p h GLN 7 Cb 0.37 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.93 2c4p h GLN 7 CO 0.00 -0.02 -0.23 -0.22 -2.65 0.00 0.00 178.83 175.71 2c4p h LYS 8 N -0.03 -0.61 0.00 1.69 3.64 -1.24 -0.35 116.57 119.67 2c4p h LYS 8 Ca 0.36 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.78 2c4p h LYS 8 Cb 0.61 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 2c4p h LYS 8 CO -0.91 -0.30 0.27 0.39 -2.27 0.00 0.00 179.45 176.62 2c4p n GLU 9 N -5.25 0.07 -0.08 1.90 1.02 -0.44 0.31 120.64 118.17 2c4p n GLU 9 Ca -0.11 0.51 -0.08 0.00 -0.02 0.00 0.00 57.16 57.47 2c4p n GLU 9 Cb 0.31 -2.00 -0.03 0.00 -0.02 0.00 0.00 31.44 29.69 2c4p n GLU 9 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2c4p n LEU 10 N -1.90 1.84 0.19 -4.62 0.00 0.20 -1.05 117.00 111.66 2c4p n LEU 10 Ca -0.01 0.56 0.03 0.00 0.00 0.00 0.00 56.01 56.59 2c4p n LEU 10 Cb 0.28 -0.86 0.38 0.00 0.00 0.00 0.00 43.42 43.22 2c4p n LEU 10 CO 0.05 -0.32 0.75 0.28 0.00 0.00 0.00 177.39 178.15 2c4p h SER 11 N -1.00 0.00 0.13 1.96 0.02 0.16 0.30 113.55 115.11 2c4p h SER 11 Ca -0.06 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.69 2c4p h SER 11 Cb 0.71 -0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.26 2c4p h SER 11 CO -0.04 0.34 -0.91 -0.78 -1.14 0.00 0.00 176.83 174.31 2c4p h ASP 12 N 0.00 0.43 -0.33 3.07 1.82 0.46 -3.28 116.42 118.59 2c4p h ASP 12 Ca -0.00 -0.93 0.07 0.00 -0.39 0.00 0.00 57.03 55.77 2c4p h ASP 12 Cb 0.60 -0.14 -0.08 0.00 0.68 0.00 0.00 39.33 40.39 2c4p h ASP 12 CO 0.04 1.42 -0.37 0.25 -1.61 0.00 0.00 179.24 178.98 2c4p h LEU 13 N -0.39 -1.21 -9.03 2.28 6.46 -0.82 -3.34 115.31 109.26 2c4p h LEU 13 Ca -0.17 0.19 -0.61 0.00 -0.12 0.00 0.00 57.88 57.17 2c4p h LEU 13 Cb 1.64 0.54 -0.12 0.00 -0.73 0.00 0.00 40.66 41.98 2c4p h LEU 13 CO 0.12 -0.36 -0.08 -1.58 -0.62 0.00 0.00 178.44 175.92 2c4p s GLN 14 N -5.94 4.10 0.00 1.25 2.00 0.10 -4.01 119.66 117.17 2c4p s GLN 14 Ca -0.15 0.28 0.00 0.00 -2.00 0.00 0.00 55.36 53.49 2c4p s GLN 14 Cb 0.12 -3.61 0.00 0.00 0.80 0.00 0.00 33.01 30.31 2c4p s GLN 14 CO 0.66 -0.25 0.00 -2.13 -0.50 0.00 0.00 175.29 173.08 2c4p n ARG 15 N 5.17 0.00 -3.94 1.67 3.00 -1.25 -4.59 116.66 116.72 2c4p n ARG 15 Ca -0.06 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.49 2c4p n ARG 15 Cb 0.50 0.00 -0.14 0.00 0.00 0.00 0.00 32.46 32.82 2c4p n ARG 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2c4p s ASP 16 N 0.00 4.32 -0.05 6.15 1.01 -1.26 -5.10 116.67 121.75 2c4p s ASP 16 Ca 0.00 -2.90 -0.30 0.00 0.71 0.00 0.00 52.55 50.06 2c4p s ASP 16 Cb 0.00 -1.60 -0.06 0.00 1.01 0.00 0.00 42.92 42.27 2c4p s ASP 16 CO 0.00 -0.25 1.70 -2.84 0.21 0.00 0.00 175.17 173.99 2c4p s PRO 17 N -0.13 4.16 0.64 8.23 0.02 -1.26 -4.89 135.00 141.77 2c4p s PRO 17 Ca 0.16 2.23 0.35 0.00 0.02 0.00 0.00 61.00 63.77 2c4p s PRO 17 Cb -0.25 -4.01 1.95 0.00 0.02 0.00 0.00 34.50 32.20 2c4p s PRO 17 CO -0.01 -0.87 2.16 -1.35 -0.33 0.00 0.00 177.00 176.60 2c4p h PRO 18 N 9.72 0.00 0.00 5.54 0.11 -1.89 -3.45 132.00 142.04 2c4p h PRO 18 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2c4p h PRO 18 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2c4p h PRO 18 CO 0.95 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.74 2c4p n ALA 19 N -2.12 0.00 -0.27 -0.75 0.00 -1.26 -4.34 120.51 111.77 2c4p n ALA 19 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2c4p n ALA 19 Cb 0.24 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.69 2c4p n ALA 19 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2c4p n HIS 20 N -1.39 0.00 -4.15 0.00 -0.00 -1.26 -5.09 115.22 103.32 2c4p n HIS 20 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 2c4p n HIS 20 Cb 0.26 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.16 2c4p n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2c4p s SER 22 N -3.04 -0.63 -0.12 0.00 1.04 -0.71 -4.57 113.70 105.67 2c4p s SER 22 Ca 0.22 1.13 -0.28 0.00 0.48 0.00 0.00 55.95 57.50 2c4p s SER 22 Cb 0.07 1.13 0.07 0.00 0.10 0.00 0.00 66.02 67.39 2c4p s SER 22 CO 0.01 -0.28 0.67 0.00 0.98 0.00 0.00 173.24 174.62 2c4p s ALA 23 N 0.06 -1.72 -0.11 5.32 0.00 -1.26 -0.93 121.76 123.13 2c4p s ALA 23 Ca -0.02 1.50 -0.33 0.00 0.00 0.00 0.00 51.96 53.11 2c4p s ALA 23 Cb -0.04 -0.38 0.13 0.00 0.00 0.00 0.00 23.12 22.84 2c4p s ALA 23 CO 0.02 -0.35 1.25 0.20 0.00 0.00 0.00 175.76 176.88 2c4p s GLY 24 N -0.68 -0.35 0.15 0.00 0.00 -0.84 -4.99 107.32 100.61 2c4p s GLY 24 Ca -0.07 1.16 -0.31 0.00 0.00 0.00 0.00 44.72 45.50 2c4p s GLY 24 CO 0.07 0.33 1.38 2.56 0.00 0.00 0.00 173.10 177.44 2c4p s PRO 25 N -2.42 4.33 -0.19 2.90 0.04 -1.26 -1.44 135.00 136.96 2c4p s PRO 25 Ca 0.12 2.09 -0.24 0.00 0.04 0.00 0.00 61.00 63.01 2c4p s PRO 25 Cb 0.02 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2c4p s PRO 25 CO -0.04 -0.39 0.77 0.08 0.04 0.00 0.00 177.00 177.46 2c4p s VAL 26 N 0.78 4.91 0.00 -0.36 1.01 -0.06 -4.87 120.40 121.81 2c4p s VAL 26 Ca 0.62 1.50 0.00 0.00 0.00 0.00 0.00 61.98 64.10 2c4p s VAL 26 Cb -0.37 -4.08 0.00 0.00 0.00 0.00 0.00 36.38 31.93 2c4p s VAL 26 CO 0.33 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.08 2c4p n GLY 27 N 3.59 0.05 2.63 4.51 0.00 -1.26 -3.49 105.19 111.22 2c4p n GLY 27 Ca 0.03 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 2c4p n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2c4p n ASP 28 N -1.28 7.11 -3.64 1.61 8.00 -1.26 -4.78 116.55 122.31 2c4p n ASP 28 Ca 0.00 -3.56 -0.29 0.00 0.71 0.00 0.00 54.79 51.65 2c4p n ASP 28 Cb 0.00 -1.11 -0.15 0.00 -0.02 0.00 0.00 41.12 39.84 2c4p n ASP 28 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2c4p s ASP 29 N -0.58 3.78 0.15 -2.24 2.15 -1.23 -4.99 116.67 113.72 2c4p s ASP 29 Ca 0.54 -1.53 0.20 0.00 0.43 0.00 0.00 52.55 52.19 2c4p s ASP 29 Cb 0.41 -0.63 0.82 0.00 -0.30 0.00 0.00 42.92 43.22 2c4p s ASP 29 CO -0.27 -0.42 1.60 0.18 -0.17 0.00 0.00 175.17 176.09 2c4p n LEU 30 N 4.97 0.38 -0.04 -1.34 7.99 -1.26 -1.78 117.00 125.91 2c4p n LEU 30 Ca -0.03 0.60 0.13 0.00 -0.01 0.00 0.00 56.01 56.70 2c4p n LEU 30 Cb 0.42 -0.54 0.49 0.00 -0.11 0.00 0.00 43.42 43.67 2c4p n LEU 30 CO 0.09 -0.43 0.75 0.49 -1.51 0.00 0.00 177.39 176.78 2c4p n PHE 31 N -1.92 0.00 -3.90 -1.77 3.72 -1.26 -4.70 117.46 107.63 2c4p n PHE 31 Ca 0.03 0.00 -0.27 0.00 -0.05 0.00 0.00 57.45 57.16 2c4p n PHE 31 Cb 0.20 -0.31 -0.17 0.00 -0.94 0.00 0.00 39.48 38.26 2c4p n PHE 31 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 2c4p s HIS 32 N -2.83 1.46 0.47 1.38 2.46 -0.74 0.11 115.29 117.59 2c4p s HIS 32 Ca 0.18 -0.73 0.04 0.00 0.47 0.00 0.00 55.06 55.01 2c4p s HIS 32 Cb 0.19 -1.22 -0.04 0.00 -0.13 0.00 0.00 32.58 31.38 2c4p s HIS 32 CO 0.57 -0.51 0.03 -1.58 -2.47 0.00 0.00 174.74 170.78 2c4p s TRP 33 N 1.72 2.16 0.05 3.88 0.52 0.66 -0.88 118.94 127.05 2c4p s TRP 33 Ca 0.05 -0.82 0.02 0.00 0.02 0.00 0.00 56.10 55.37 2c4p s TRP 33 Cb -0.13 -1.71 -0.03 0.00 -1.15 0.00 0.00 33.47 30.46 2c4p s TRP 33 CO -0.08 0.29 -0.07 -1.14 0.02 0.00 0.00 176.95 175.98 2c4p s GLN 34 N -3.83 0.54 0.10 4.98 0.74 -0.52 -1.07 119.66 120.60 2c4p s GLN 34 Ca 0.21 -0.84 -0.00 0.00 0.05 0.00 0.00 55.36 54.77 2c4p s GLN 34 Cb 0.05 -0.19 -0.04 0.00 1.10 0.00 0.00 33.01 33.93 2c4p s GLN 34 CO 0.11 0.02 0.00 0.00 -0.55 0.00 0.00 175.29 174.87 2c4p s ALA 35 N -1.85 0.81 -0.28 1.58 0.00 0.15 -1.98 121.76 120.18 2c4p s ALA 35 Ca -0.07 -1.38 -0.02 0.00 0.00 0.00 0.00 51.96 50.49 2c4p s ALA 35 Cb -0.07 0.52 0.16 0.00 0.00 0.00 0.00 23.12 23.74 2c4p s ALA 35 CO -0.01 -0.39 0.52 0.99 0.00 0.00 0.00 175.76 176.87 2c4p s THR 36 N -3.90 -0.85 0.15 0.00 2.01 -0.11 -0.40 115.64 112.54 2c4p s THR 36 Ca 0.16 -0.02 0.07 0.00 0.31 0.00 0.00 61.69 62.22 2c4p s THR 36 Cb 0.07 -0.92 -0.04 0.00 0.01 0.00 0.00 72.50 71.62 2c4p s THR 36 CO -0.03 -0.04 -0.03 0.27 -0.69 0.00 0.00 174.62 174.10 2c4p s ILE 37 N 2.75 3.60 0.00 1.82 -0.00 -0.99 -1.74 121.20 126.63 2c4p s ILE 37 Ca 0.16 -1.38 -0.01 0.00 -0.00 0.00 0.00 60.65 59.41 2c4p s ILE 37 Cb -0.15 -2.77 -0.04 0.00 -0.00 0.00 0.00 42.46 39.50 2c4p s ILE 37 CO -0.19 -0.04 0.13 -0.04 -0.00 0.00 0.00 174.94 174.80 2c4p s MET 38 N -2.71 3.24 0.25 0.37 -1.94 -1.09 -2.63 119.30 114.78 2c4p s MET 38 Ca 0.26 -0.43 -0.30 0.00 -1.71 0.00 0.00 55.69 53.51 2c4p s MET 38 Cb -0.10 -2.96 -0.10 0.00 2.01 0.00 0.00 34.83 33.68 2c4p s MET 38 CO 0.17 0.65 1.46 0.20 -0.01 0.00 0.00 175.02 177.49 2c4p s GLY 39 N -1.91 2.25 0.08 -0.03 0.00 -0.98 -4.91 107.32 101.81 2c4p s GLY 39 Ca 0.26 1.35 -0.35 0.00 0.00 0.00 0.00 44.72 45.98 2c4p s GLY 39 CO 0.17 2.33 1.62 -1.05 0.00 0.00 0.00 173.10 176.17 2c4p n PRO 40 N 2.44 1.99 -1.96 2.90 -0.02 -1.26 -3.92 135.00 135.16 2c4p n PRO 40 Ca 0.07 0.72 -0.39 0.00 -2.02 0.00 0.00 63.50 61.89 2c4p n PRO 40 Cb 0.40 -2.49 0.01 0.00 -0.02 0.00 0.00 33.50 31.40 2c4p n PRO 40 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2c4p s PRO 41 N 1.70 3.59 -0.09 0.52 0.04 -1.26 -1.23 135.00 138.28 2c4p s PRO 41 Ca 0.84 2.14 0.00 0.00 0.04 0.00 0.00 61.00 64.02 2c4p s PRO 41 Cb -0.73 -2.49 0.00 0.00 0.04 0.00 0.00 34.50 31.31 2c4p s PRO 41 CO 0.43 -0.80 0.00 -0.25 0.04 0.00 0.00 177.00 176.43 2c4p n ASP 42 N -0.45 -3.10 -4.20 6.66 8.00 -1.26 -5.02 116.55 117.18 2c4p n ASP 42 Ca 0.07 0.02 -0.15 0.00 0.71 0.00 0.00 54.79 55.44 2c4p n ASP 42 Cb 0.45 -0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 40.77 2c4p n ASP 42 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 2c4p s SER 43 N -2.99 1.62 0.49 -2.24 1.04 -0.36 -5.04 113.70 106.21 2c4p s SER 43 Ca 0.00 -0.86 0.18 0.00 0.48 0.00 0.00 55.95 55.74 2c4p s SER 43 Cb 0.00 -0.01 1.21 0.00 0.10 0.00 0.00 66.02 67.32 2c4p s SER 43 CO 0.00 -0.26 2.04 0.00 0.98 0.00 0.00 173.24 176.00 2c4p h ALA 44 N 3.36 2.15 -0.05 5.32 0.00 -1.87 -1.59 119.26 126.57 2c4p h ALA 44 Ca -0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2c4p h ALA 44 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2c4p h ALA 44 CO 0.55 -0.24 0.00 0.66 0.00 0.00 0.00 179.25 180.22 2c4p n TYR 45 N -4.46 0.18 -1.58 0.00 4.01 -1.26 -3.71 117.16 110.34 2c4p n TYR 45 Ca 0.06 -0.06 -0.50 0.00 -0.16 0.00 0.00 57.90 57.23 2c4p n TYR 45 Cb 0.34 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.20 2c4p n TYR 45 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2c4p n GLN 46 N 0.02 1.13 -1.12 -0.72 -0.06 -0.60 -2.35 117.38 113.68 2c4p n GLN 46 Ca 0.02 0.40 -0.04 0.00 -2.00 0.00 0.00 57.00 55.39 2c4p n GLN 46 Cb 0.31 -1.95 -0.02 0.00 -4.06 0.00 0.00 30.24 24.52 2c4p n GLN 46 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2c4p n GLY 47 N 2.19 0.51 3.93 1.69 0.00 -1.25 -4.90 105.19 107.36 2c4p n GLY 47 Ca 0.16 -0.08 -0.27 0.00 0.00 0.00 0.00 46.02 45.83 2c4p n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2c4p s GLY 48 N -2.22 1.78 -0.27 -0.02 0.00 -0.99 -4.82 107.32 100.77 2c4p s GLY 48 Ca 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 44.72 43.87 2c4p s GLY 48 CO 0.00 -0.81 -0.06 0.14 0.00 0.00 0.00 173.10 172.37 2c4p s VAL 49 N -1.86 2.65 -0.12 1.40 1.01 0.25 -2.33 120.40 121.40 2c4p s VAL 49 Ca 0.38 -1.37 0.01 0.00 0.00 0.00 0.00 61.98 61.00 2c4p s VAL 49 Cb -0.11 -2.48 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2c4p s VAL 49 CO 0.29 0.02 -0.14 -0.36 0.00 0.00 0.00 175.10 174.90 2c4p s PHE 50 N 1.22 2.77 -0.07 5.22 0.08 -1.08 -4.64 117.98 121.48 2c4p s PHE 50 Ca -0.05 -0.64 -0.07 0.00 0.12 0.00 0.00 56.93 56.29 2c4p s PHE 50 Cb -0.19 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.41 2c4p s PHE 50 CO -0.04 -0.20 0.19 -0.06 -0.10 0.00 0.00 175.22 175.02 2c4p s PHE 51 N 0.25 3.60 0.14 0.36 0.40 -1.26 -2.36 117.98 119.12 2c4p s PHE 51 Ca -0.10 0.56 0.09 0.00 -0.60 0.00 0.00 56.93 56.88 2c4p s PHE 51 Cb -0.16 -1.97 -0.04 0.00 0.51 0.00 0.00 43.02 41.37 2c4p s PHE 51 CO 0.06 0.70 -0.20 -0.51 0.70 0.00 0.00 175.22 175.96 2c4p s LEU 52 N -1.29 2.38 -0.22 -0.37 2.01 0.46 0.11 118.68 121.76 2c4p s LEU 52 Ca 0.20 -0.80 -0.02 0.00 0.01 0.00 0.00 54.13 53.52 2c4p s LEU 52 Cb -0.13 -0.91 0.01 0.00 0.01 0.00 0.00 46.19 45.18 2c4p s LEU 52 CO 0.09 0.03 -0.08 0.42 1.01 0.00 0.00 176.35 177.82 2c4p s THR 53 N -1.65 2.93 -0.34 5.49 -4.23 -0.95 0.29 115.64 117.18 2c4p s THR 53 Ca 0.13 -0.77 -0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2c4p s THR 53 Cb -0.08 -2.37 0.05 0.00 1.34 0.00 0.00 72.50 71.44 2c4p s THR 53 CO 0.06 0.36 0.10 -0.69 -0.54 0.00 0.00 174.62 173.91 2c4p s VAL 54 N 1.39 3.58 -0.17 2.29 1.01 -0.23 -2.94 120.40 125.32 2c4p s VAL 54 Ca 0.04 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.70 2c4p s VAL 54 Cb -0.15 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 2c4p s VAL 54 CO -0.06 -0.23 -0.07 -2.28 0.00 0.00 0.00 175.10 172.47 2c4p s HIS 55 N 1.35 2.93 0.03 5.22 5.65 -0.51 0.24 115.29 130.20 2c4p s HIS 55 Ca -0.01 -0.66 -0.19 0.00 0.25 0.00 0.00 55.06 54.44 2c4p s HIS 55 Cb -0.20 -1.98 -0.06 0.00 -1.18 0.00 0.00 32.58 29.16 2c4p s HIS 55 CO 0.01 -0.30 0.57 -0.06 -0.65 0.00 0.00 174.74 174.31 2c4p s PHE 56 N 0.82 3.75 0.54 3.88 0.40 0.30 -0.98 117.98 126.69 2c4p s PHE 56 Ca -0.02 1.22 -0.16 0.00 -0.60 0.00 0.00 56.93 57.37 2c4p s PHE 56 Cb -0.15 -2.53 -0.07 0.00 0.51 0.00 0.00 43.02 40.79 2c4p s PHE 56 CO 0.01 0.49 1.00 -1.25 0.70 0.00 0.00 175.22 176.18 2c4p s PRO 57 N -0.71 3.78 0.00 0.24 0.04 -1.26 -4.88 135.00 132.21 2c4p s PRO 57 Ca 0.29 0.99 0.09 0.00 0.04 0.00 0.00 61.00 62.42 2c4p s PRO 57 Cb -0.19 -2.11 0.55 0.00 0.04 0.00 0.00 34.50 32.80 2c4p s PRO 57 CO 0.18 -0.41 0.98 2.41 0.04 0.00 0.00 177.00 180.20 2c4p n THR 58 N -1.77 0.00 -1.44 1.26 -1.04 -1.26 -2.42 114.28 107.61 2c4p n THR 58 Ca 0.07 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.09 2c4p n THR 58 Cb 0.54 -0.59 0.20 0.00 -1.82 0.00 0.00 70.33 68.66 2c4p n THR 58 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 2c4p n ASP 59 N -0.82 2.30 -4.78 8.00 8.00 -1.26 -3.69 116.55 124.30 2c4p n ASP 59 Ca 0.07 -3.71 -0.36 0.00 0.71 0.00 0.00 54.79 51.50 2c4p n ASP 59 Cb 0.03 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.53 2c4p n ASP 59 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2c4p s TYR 60 N -3.19 3.07 -1.98 1.24 5.04 -1.01 -2.27 117.35 118.24 2c4p s TYR 60 Ca 0.41 1.59 0.17 0.00 -2.44 0.00 0.00 57.07 56.81 2c4p s TYR 60 Cb 0.38 -3.20 0.49 0.00 0.35 0.00 0.00 41.96 39.98 2c4p s TYR 60 CO -0.02 -0.98 1.41 -0.35 -1.34 0.00 0.00 175.55 174.28 2c4p n PRO 61 N -0.44 2.31 0.00 4.97 -0.04 -1.26 -3.22 135.00 137.32 2c4p n PRO 61 Ca 0.07 -2.01 0.02 0.00 -0.04 0.00 0.00 63.50 61.54 2c4p n PRO 61 Cb 0.50 -1.44 0.10 0.00 -0.04 0.00 0.00 33.50 32.62 2c4p n PRO 61 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2c4p n PHE 62 N 1.12 0.00 -3.82 0.54 3.01 -0.96 -4.09 117.46 113.25 2c4p n PHE 62 Ca 0.19 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.52 2c4p n PHE 62 Cb 0.48 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 39.81 2c4p n PHE 62 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2c4p s LYS 63 N -2.00 0.06 0.60 -1.08 1.02 -1.11 -4.91 119.74 112.32 2c4p s LYS 63 Ca 0.05 0.14 -0.17 0.00 0.02 0.00 0.00 55.97 56.01 2c4p s LYS 63 Cb 0.02 -0.03 -0.03 0.00 -0.52 0.00 0.00 37.83 37.27 2c4p s LYS 63 CO 0.04 -0.05 1.13 -1.25 -0.92 0.00 0.00 175.35 174.29 2c4p s PRO 64 N 0.34 3.05 0.24 -1.68 0.04 -1.26 -4.59 135.00 131.14 2c4p s PRO 64 Ca -0.03 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.25 2c4p s PRO 64 Cb -0.04 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 2c4p s PRO 64 CO -0.01 -1.07 0.97 -2.14 0.04 0.00 0.00 177.00 174.78 2c4p s PRO 65 N -3.66 4.82 -0.48 0.56 0.02 -1.26 -4.56 135.00 130.44 2c4p s PRO 65 Ca 0.71 1.54 -0.23 0.00 0.02 0.00 0.00 61.00 63.04 2c4p s PRO 65 Cb -0.23 -3.27 0.03 0.00 0.02 0.00 0.00 34.50 31.06 2c4p s PRO 65 CO 0.34 0.46 0.80 0.21 -0.33 0.00 0.00 177.00 178.48 2c4p s LYS 66 N -1.19 3.35 0.20 5.54 2.36 -0.15 -4.91 119.74 124.95 2c4p s LYS 66 Ca 0.42 -0.24 0.06 0.00 -2.55 0.00 0.00 55.97 53.66 2c4p s LYS 66 Cb -0.27 -3.99 -0.05 0.00 -1.05 0.00 0.00 37.83 32.48 2c4p s LYS 66 CO 0.33 -1.22 -0.11 0.96 1.55 0.00 0.00 175.35 176.86 2c4p s ILE 67 N 3.38 1.52 0.19 5.43 -4.36 -1.25 -1.42 121.20 124.68 2c4p s ILE 67 Ca 0.28 -2.15 -0.23 0.00 -0.26 0.00 0.00 60.65 58.29 2c4p s ILE 67 Cb -0.13 -2.05 0.05 0.00 1.25 0.00 0.00 42.46 41.58 2c4p s ILE 67 CO 0.21 -0.59 0.72 0.00 0.24 0.00 0.00 174.94 175.51 2c4p s ALA 68 N -3.11 -1.47 -0.13 2.27 0.00 -1.15 -4.41 121.76 113.76 2c4p s ALA 68 Ca 0.22 0.17 -0.23 0.00 0.00 0.00 0.00 51.96 52.12 2c4p s ALA 68 Cb 0.01 0.80 -0.03 0.00 0.00 0.00 0.00 23.12 23.90 2c4p s ALA 68 CO 0.06 -0.90 0.73 -0.06 0.00 0.00 0.00 175.76 175.58 2c4p s PHE 69 N -3.70 3.49 0.03 0.00 0.40 0.12 -2.24 117.98 116.08 2c4p s PHE 69 Ca 0.07 1.19 0.02 0.00 -0.60 0.00 0.00 56.93 57.60 2c4p s PHE 69 Cb -0.03 -2.87 -0.25 0.00 0.51 0.00 0.00 43.02 40.37 2c4p s PHE 69 CO -0.03 -0.07 0.96 1.15 0.70 0.00 0.00 175.22 177.94 2c4p h THR 70 N 4.98 1.28 -3.15 0.64 2.02 0.43 -3.36 112.91 115.76 2c4p h THR 70 Ca -0.35 -2.97 -0.60 0.00 0.77 0.00 0.00 66.41 63.26 2c4p h THR 70 Cb 1.17 2.75 -0.08 0.00 -1.74 0.00 0.00 68.15 70.25 2c4p h THR 70 CO 0.78 0.82 -0.27 -0.89 0.37 0.00 0.00 175.52 176.33 2c4p s THR 71 N -2.64 5.21 0.41 3.16 2.01 -1.20 -4.92 115.64 117.68 2c4p s THR 71 Ca -0.05 0.69 -0.26 0.00 0.31 0.00 0.00 61.69 62.37 2c4p s THR 71 Cb 0.08 -3.67 -0.09 0.00 0.01 0.00 0.00 72.50 68.83 2c4p s THR 71 CO 0.84 0.46 1.37 -0.54 -0.69 0.00 0.00 174.62 176.06 2c4p s LYS 72 N -0.13 3.92 -0.02 4.92 1.02 -1.26 -4.86 119.74 123.33 2c4p s LYS 72 Ca 0.20 2.30 -0.06 0.00 0.02 0.00 0.00 55.97 58.43 2c4p s LYS 72 Cb -0.14 -2.77 0.01 0.00 -0.52 0.00 0.00 37.83 34.40 2c4p s LYS 72 CO 0.08 -0.58 0.14 0.42 -0.92 0.00 0.00 175.35 174.49 2c4p s ILE 73 N -1.22 0.05 -1.06 2.17 1.09 -1.26 -4.80 121.20 116.17 2c4p s ILE 73 Ca 0.57 -0.39 -0.16 0.00 -1.10 0.00 0.00 60.65 59.58 2c4p s ILE 73 Cb -0.41 -0.33 0.16 0.00 -1.06 0.00 0.00 42.46 40.82 2c4p s ILE 73 CO 0.53 -0.21 1.25 -0.47 -0.10 0.00 0.00 174.94 175.94 2c4p s TYR 74 N -0.72 3.40 0.00 3.97 6.14 -1.26 -4.92 117.35 123.95 2c4p s TYR 74 Ca -0.08 -1.84 0.00 0.00 0.64 0.00 0.00 57.07 55.79 2c4p s TYR 74 Cb -0.05 -4.25 -0.00 0.00 0.42 0.00 0.00 41.96 38.08 2c4p s TYR 74 CO 0.01 -1.39 -0.02 -1.58 0.64 0.00 0.00 175.55 173.21 2c4p s HIS 75 N 1.81 0.17 -0.20 4.97 2.46 -1.26 -4.82 115.29 118.41 2c4p s HIS 75 Ca 0.36 -0.11 0.29 0.00 0.47 0.00 0.00 55.06 56.07 2c4p s HIS 75 Cb -0.04 -0.11 1.15 0.00 -0.13 0.00 0.00 32.58 33.44 2c4p s HIS 75 CO -0.05 -0.03 1.85 -1.00 -2.47 0.00 0.00 174.74 173.03 2c4p h PRO 76 N 5.84 0.00 -0.42 2.88 0.13 -1.87 -2.96 132.00 135.60 2c4p h PRO 76 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2c4p h PRO 76 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2c4p h PRO 76 CO 0.49 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.35 2c4p n ASN 77 N -2.68 4.16 -3.73 1.44 3.02 -1.26 0.34 115.26 116.54 2c4p n ASN 77 Ca 0.02 -2.64 -0.19 0.00 -0.03 0.00 0.00 54.58 51.74 2c4p n ASN 77 Cb 0.28 -0.50 -0.17 0.00 -0.61 0.00 0.00 39.78 38.78 2c4p n ASN 77 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2c4p s ILE 78 N -2.16 0.06 0.11 2.41 -1.09 -1.12 -0.95 121.20 118.45 2c4p s ILE 78 Ca 0.42 0.27 0.01 0.00 -2.23 0.00 0.00 60.65 59.11 2c4p s ILE 78 Cb 0.30 -0.25 0.02 0.00 -1.58 0.00 0.00 42.46 40.95 2c4p s ILE 78 CO 0.15 0.18 0.15 -0.46 -1.23 0.00 0.00 174.94 173.73 2c4p n ASN 79 N 4.89 0.27 0.32 3.58 2.04 -1.19 -4.46 115.26 120.70 2c4p n ASN 79 Ca -0.12 -1.21 0.19 0.00 -0.44 0.00 0.00 54.58 53.00 2c4p n ASN 79 Cb 0.50 -0.09 1.07 0.00 -2.53 0.00 0.00 39.78 38.73 2c4p n ASN 79 CO 0.00 0.00 0.00 0.77 -0.44 0.00 0.00 177.26 177.59 2c4p h SER 80 N -0.05 0.00 0.24 0.53 4.64 -1.94 -0.81 113.55 116.16 2c4p h SER 80 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2c4p h SER 80 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 2c4p h SER 80 CO 0.06 0.00 -0.12 0.59 -0.87 0.00 0.00 176.83 176.49 2c4p n ASN 81 N -3.44 0.75 0.00 4.97 4.13 -1.26 -4.90 115.26 115.51 2c4p n ASN 81 Ca -0.03 -0.84 0.00 0.00 1.68 0.00 0.00 54.58 55.39 2c4p n ASN 81 Cb 0.09 -0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.33 2c4p n ASN 81 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2c4p n GLY 82 N 1.26 2.82 3.56 7.41 0.00 -0.31 -4.63 105.19 115.30 2c4p n GLY 82 Ca 0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2c4p n GLY 82 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2c4p n SER 83 N 0.00 0.75 -4.62 1.61 7.64 -1.26 0.15 113.62 117.89 2c4p n SER 83 Ca 0.00 1.05 -0.34 0.00 1.01 0.00 0.00 58.87 60.59 2c4p n SER 83 Cb 0.00 -1.27 -0.10 0.00 -1.01 0.00 0.00 64.21 61.82 2c4p n SER 83 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2c4p s ILE 84 N -1.24 4.10 -1.14 0.44 2.07 -1.26 -3.15 121.20 121.01 2c4p s ILE 84 Ca 0.62 -0.32 -0.10 0.00 -1.41 0.00 0.00 60.65 59.44 2c4p s ILE 84 Cb -0.62 -2.73 0.26 0.00 0.13 0.00 0.00 42.46 39.50 2c4p s ILE 84 CO 0.58 0.58 1.20 0.00 -1.91 0.00 0.00 174.94 175.39 2c4p s LEU 86 N -0.74 2.48 0.11 0.00 2.96 -1.26 -4.96 118.68 117.27 2c4p s LEU 86 Ca 0.34 -0.40 -0.20 0.00 -0.22 0.00 0.00 54.13 53.65 2c4p s LEU 86 Cb -0.08 -1.53 -0.08 0.00 0.50 0.00 0.00 46.19 45.00 2c4p s LEU 86 CO -0.06 0.19 1.72 -2.24 -1.32 0.00 0.00 176.35 174.64 2c4p h ASP 87 N 6.51 0.23 -0.16 3.68 3.04 -1.99 -2.77 116.42 124.97 2c4p h ASP 87 Ca -0.26 -0.06 0.05 0.00 -3.24 0.00 0.00 57.03 53.51 2c4p h ASP 87 Cb 1.21 -0.06 -0.01 0.00 -1.04 0.00 0.00 39.33 39.44 2c4p h ASP 87 CO 0.52 0.23 0.12 -0.29 -2.04 0.00 0.00 179.24 177.77 2c4p h ILE 88 N 0.21 0.87 0.00 4.15 2.10 -1.92 2.92 117.51 125.85 2c4p h ILE 88 Ca 0.07 0.00 -0.01 0.00 1.08 0.00 0.00 64.86 65.99 2c4p h ILE 88 Cb 0.04 0.92 -0.00 0.00 -1.09 0.00 0.00 36.82 36.69 2c4p h ILE 88 CO -0.01 0.00 -0.07 0.25 -1.08 0.00 0.00 178.15 177.24 2c4p h LEU 89 N 0.00 0.00 0.00 2.19 7.12 -1.87 0.12 115.31 122.86 2c4p h LEU 89 Ca 0.07 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2c4p h LEU 89 Cb 0.31 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 40.44 2c4p h LEU 89 CO -0.00 0.07 0.00 0.54 -0.13 0.00 0.00 178.44 178.92 2c4p n ARG 90 N -3.21 1.78 -0.11 1.25 5.12 -0.78 -4.78 116.66 115.93 2c4p n ARG 90 Ca 0.00 0.00 -0.23 0.00 -1.93 0.00 0.00 57.85 55.69 2c4p n ARG 90 Cb 0.33 -0.47 -0.11 0.00 -1.16 0.00 0.00 32.46 31.05 2c4p n ARG 90 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2c4p n SER 91 N -0.34 1.88 -0.52 0.55 2.88 0.97 -4.59 113.62 114.44 2c4p n SER 91 Ca 0.00 0.41 0.11 0.00 -1.33 0.00 0.00 58.87 58.06 2c4p n SER 91 Cb 0.00 -0.94 0.03 0.00 -0.75 0.00 0.00 64.21 62.54 2c4p n SER 91 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2c4p n GLN 92 N -4.40 1.29 -1.61 -1.46 7.27 -0.46 -4.94 117.38 113.06 2c4p n GLN 92 Ca -0.36 -1.05 -0.61 0.00 0.07 0.00 0.00 57.00 55.05 2c4p n GLN 92 Cb 0.72 -1.48 -0.08 0.00 2.41 0.00 0.00 30.24 31.80 2c4p n GLN 92 CO 0.00 0.00 0.00 1.87 0.07 0.00 0.00 177.06 179.00 2c4p n TRP 93 N 0.06 1.22 -3.91 3.69 -0.00 0.41 -4.94 117.44 113.98 2c4p n TRP 93 Ca 0.10 1.00 -0.11 0.00 -0.00 0.00 0.00 57.50 58.49 2c4p n TRP 93 Cb 0.47 -2.19 -0.13 0.00 -0.00 0.00 0.00 31.31 29.46 2c4p n TRP 93 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 2c4p s SER 94 N 1.33 0.09 0.55 5.87 1.04 -1.26 -5.03 113.70 116.28 2c4p s SER 94 Ca 0.95 -0.19 0.42 0.00 0.48 0.00 0.00 55.95 57.61 2c4p s SER 94 Cb -1.29 0.04 1.60 0.00 0.10 0.00 0.00 66.02 66.47 2c4p s SER 94 CO 0.65 -0.11 1.69 -0.65 0.98 0.00 0.00 173.24 175.80 2c4p h PRO 95 N 5.58 0.00 0.13 4.02 0.11 -1.91 -1.33 132.00 138.60 2c4p h PRO 95 Ca -0.27 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 2c4p h PRO 95 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2c4p h PRO 95 CO 0.47 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.16 2c4p h ALA 96 N 1.21 -0.22 -1.82 -0.75 0.00 -1.96 -3.44 119.26 112.27 2c4p h ALA 96 Ca 0.70 -0.04 -0.62 0.00 0.00 0.00 0.00 54.91 54.96 2c4p h ALA 96 Cb 2.87 0.13 0.13 0.00 0.00 0.00 0.00 17.79 20.92 2c4p h ALA 96 CO -0.01 -0.63 -0.25 1.28 0.00 0.00 0.00 179.25 179.64 2c4p n LEU 97 N -5.22 0.37 -4.36 0.00 4.77 -0.50 -5.00 117.00 107.05 2c4p n LEU 97 Ca -0.08 1.04 -0.21 0.00 -0.03 0.00 0.00 56.01 56.73 2c4p n LEU 97 Cb 0.14 -1.14 -0.11 0.00 -2.33 0.00 0.00 43.42 39.98 2c4p n LEU 97 CO 0.32 -2.41 -0.47 0.28 -1.33 0.00 0.00 177.39 173.79 2c4p s THR 98 N -1.25 1.91 0.15 -5.08 -1.32 -1.26 -4.94 115.64 103.85 2c4p s THR 98 Ca 0.62 -2.08 -0.27 0.00 -1.21 0.00 0.00 61.69 58.75 2c4p s THR 98 Cb -0.70 -1.98 -0.01 0.00 -1.51 0.00 0.00 72.50 68.30 2c4p s THR 98 CO 0.58 -0.40 1.59 0.58 -2.21 0.00 0.00 174.62 174.76 2c4p h VAL 99 N 2.90 0.18 -0.95 5.08 2.07 -1.94 0.53 116.25 124.10 2c4p h VAL 99 Ca -0.41 0.00 0.25 0.00 0.82 0.00 0.00 66.70 67.36 2c4p h VAL 99 Cb 1.22 0.18 -0.13 0.00 -1.52 0.00 0.00 31.29 31.03 2c4p h VAL 99 CO 0.55 0.00 0.48 0.77 0.02 0.00 0.00 177.57 179.40 2c4p h SER 100 N -0.38 0.46 0.35 0.57 4.64 -1.97 0.56 113.55 117.78 2c4p h SER 100 Ca 0.12 0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 2c4p h SER 100 Cb 0.58 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.78 2c4p h SER 100 CO -0.47 0.00 -0.17 0.50 -0.87 0.00 0.00 176.83 175.82 2c4p h LYS 101 N 0.44 -0.45 -0.44 4.77 3.64 -1.38 -2.71 116.57 120.44 2c4p h LYS 101 Ca 0.62 0.03 0.13 0.00 -1.27 0.00 0.00 60.65 60.15 2c4p h LYS 101 Cb 1.22 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 2c4p h LYS 101 CO -0.53 -0.23 0.53 0.28 -2.27 0.00 0.00 179.45 177.23 2c4p h VAL 102 N -0.57 0.28 0.02 2.00 2.07 0.79 0.43 116.25 121.27 2c4p h VAL 102 Ca -0.05 0.00 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 2c4p h VAL 102 Cb 0.42 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 2c4p h VAL 102 CO 0.08 0.00 -0.97 0.25 0.02 0.00 0.00 177.57 176.95 2c4p h LEU 103 N 0.00 0.13 -0.85 2.57 5.85 -1.09 -2.75 115.31 119.17 2c4p h LEU 103 Ca 0.21 -0.13 -0.11 0.00 0.84 0.00 0.00 57.88 58.70 2c4p h LEU 103 Cb 1.27 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 2c4p h LEU 103 CO -0.00 1.02 -0.28 -0.07 -0.34 0.00 0.00 178.44 178.77 2c4p h LEU 104 N 0.04 0.55 -0.42 2.25 -0.00 -0.09 -1.47 115.31 116.18 2c4p h LEU 104 Ca -0.04 -0.20 -0.05 0.00 -0.00 0.00 0.00 57.88 57.59 2c4p h LEU 104 Cb 1.67 -0.15 -0.02 0.00 -0.00 0.00 0.00 40.66 42.17 2c4p h LEU 104 CO 0.14 0.81 0.05 0.28 -0.00 0.00 0.00 178.44 179.72 2c4p h SER 105 N 0.47 0.68 -0.54 -0.43 0.02 -1.41 -1.94 113.55 110.40 2c4p h SER 105 Ca 0.06 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.69 2c4p h SER 105 Cb 0.73 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2c4p h SER 105 CO 0.06 0.78 0.15 0.40 -1.14 0.00 0.00 176.83 177.07 2c4p h ILE 106 N 0.55 1.24 -0.30 3.27 2.04 -1.27 0.12 117.51 123.16 2c4p h ILE 106 Ca 0.12 -0.84 -0.05 0.00 1.00 0.00 0.00 64.86 65.10 2c4p h ILE 106 Cb 0.40 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2c4p h ILE 106 CO 0.01 0.31 -0.01 0.00 0.00 0.00 0.00 178.15 178.46 2c4p h SER 108 N 0.45 0.03 -0.93 0.00 0.02 -1.01 -3.15 113.55 108.95 2c4p h SER 108 Ca 0.10 -0.64 0.20 0.00 -0.84 0.00 0.00 61.79 60.61 2c4p h SER 108 Cb 0.31 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.77 2c4p h SER 108 CO 0.01 0.66 0.60 0.25 -1.14 0.00 0.00 176.83 177.21 2c4p h LEU 109 N -0.60 0.48 -0.26 5.07 5.85 -0.41 0.18 115.31 125.62 2c4p h LEU 109 Ca -0.00 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.82 2c4p h LEU 109 Cb 0.66 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 2c4p h LEU 109 CO 0.00 0.19 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.22 2c4p h LEU 110 N 0.48 -0.12 0.00 2.25 3.38 -0.99 -2.53 115.31 117.79 2c4p h LEU 110 Ca 0.49 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.50 2c4p h LEU 110 Cb 1.12 0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.98 2c4p h LEU 110 CO -0.21 -0.03 -0.07 0.00 0.09 0.00 0.00 178.44 178.22 2c4p s ASP 112 N -6.10 5.10 0.74 0.00 1.01 -0.22 -5.06 116.67 112.15 2c4p s ASP 112 Ca -0.17 -3.34 -0.10 0.00 0.71 0.00 0.00 52.55 49.65 2c4p s ASP 112 Cb -0.01 -1.77 0.06 0.00 1.01 0.00 0.00 42.92 42.22 2c4p s ASP 112 CO 0.70 -0.22 1.09 -2.16 0.21 0.00 0.00 175.17 174.79 2c4p s PRO 113 N -0.77 2.23 -0.35 8.23 0.04 -0.96 -4.48 135.00 138.94 2c4p s PRO 113 Ca 0.21 0.03 -0.08 0.00 0.04 0.00 0.00 61.00 61.21 2c4p s PRO 113 Cb -0.15 -2.06 0.04 0.00 0.04 0.00 0.00 34.50 32.38 2c4p s PRO 113 CO -0.08 -1.34 0.14 0.54 0.04 0.00 0.00 177.00 176.30 2c4p s ASN 114 N -4.51 5.43 0.37 6.66 2.20 -1.26 -4.98 114.94 118.85 2c4p s ASN 114 Ca 0.60 -1.14 0.16 0.00 -0.94 0.00 0.00 52.86 51.53 2c4p s ASN 114 Cb -0.11 -1.91 0.70 0.00 -2.00 0.00 0.00 41.25 37.93 2c4p s ASN 114 CO 0.48 -0.36 1.78 1.55 -2.94 0.00 0.00 177.10 177.61 2c4p h PRO 115 N 8.28 0.00 -0.53 3.55 0.13 -1.97 -3.21 132.00 138.26 2c4p h PRO 115 Ca -0.23 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.90 2c4p h PRO 115 Cb 1.09 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.19 2c4p h PRO 115 CO 0.63 0.40 0.35 0.38 -0.23 0.00 0.00 178.00 179.53 2c4p h ASP 116 N 0.00 0.60 -2.33 1.44 3.04 -1.94 -3.15 116.42 114.08 2c4p h ASP 116 Ca -0.00 -0.01 -0.61 0.00 -3.24 0.00 0.00 57.03 53.16 2c4p h ASP 116 Cb 0.80 -0.15 -0.42 0.00 -1.04 0.00 0.00 39.33 38.52 2c4p h ASP 116 CO 0.05 0.43 -0.56 -0.67 -2.04 0.00 0.00 179.24 176.46 2c4p n ASP 117 N -4.46 3.74 -4.88 4.15 -0.08 -1.21 -5.08 116.55 108.72 2c4p n ASP 117 Ca 0.05 -3.42 -0.30 0.00 -1.51 0.00 0.00 54.79 49.61 2c4p n ASP 117 Cb 0.06 -0.70 0.02 0.00 2.34 0.00 0.00 41.12 42.84 2c4p n ASP 117 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 2c4p s PRO 118 N -2.35 3.40 -0.00 -0.67 0.04 -1.19 -4.88 135.00 129.33 2c4p s PRO 118 Ca 0.38 0.57 0.07 0.00 0.04 0.00 0.00 61.00 62.06 2c4p s PRO 118 Cb 0.12 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 32.45 2c4p s PRO 118 CO -0.03 -0.63 0.23 -0.11 0.04 0.00 0.00 177.00 176.51 2c4p n LEU 119 N -2.73 0.19 -3.60 -3.56 7.94 0.15 -4.81 117.00 110.58 2c4p n LEU 119 Ca 0.05 -0.29 -0.29 0.00 -1.11 0.00 0.00 56.01 54.37 2c4p n LEU 119 Cb 0.55 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.36 2c4p n LEU 119 CO 0.57 0.05 -0.31 -0.69 -1.11 0.00 0.00 177.39 175.90 2c4p s VAL 120 N -2.00 0.56 0.11 1.96 1.01 -0.93 -4.78 120.40 116.32 2c4p s VAL 120 Ca 0.00 -1.63 -0.21 0.00 0.00 0.00 0.00 61.98 60.15 2c4p s VAL 120 Cb 0.05 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2c4p s VAL 120 CO 0.29 -0.84 1.27 -2.65 0.00 0.00 0.00 175.10 173.17 2c4p n PRO 121 N 4.38 -0.30 -0.12 2.72 -0.02 -1.26 -1.52 135.00 138.88 2c4p n PRO 121 Ca 0.04 1.25 -0.05 0.00 -2.02 0.00 0.00 63.50 62.72 2c4p n PRO 121 Cb 0.39 -1.85 0.14 0.00 -0.02 0.00 0.00 33.50 32.16 2c4p n PRO 121 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2c4p h ASP 122 N 0.00 0.80 -0.03 2.55 3.58 -1.97 0.64 116.42 121.99 2c4p h ASP 122 Ca 0.11 -0.20 -0.04 0.00 0.42 0.00 0.00 57.03 57.32 2c4p h ASP 122 Cb 0.28 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2c4p h ASP 122 CO -0.64 0.86 -0.06 0.40 -2.88 0.00 0.00 179.24 176.92 2c4p h ILE 123 N 0.77 1.14 0.19 2.25 2.04 -1.81 0.16 117.51 122.25 2c4p h ILE 123 Ca 0.15 -0.61 -0.31 0.00 1.00 0.00 0.00 64.86 65.09 2c4p h ILE 123 Cb 0.46 1.10 0.02 0.00 -0.74 0.00 0.00 36.82 37.66 2c4p h ILE 123 CO 0.02 0.19 -1.44 0.00 0.00 0.00 0.00 178.15 176.92 2c4p h ALA 124 N 1.71 0.02 -0.57 1.87 0.00 -0.53 -2.38 119.26 119.37 2c4p h ALA 124 Ca 0.05 -0.94 -0.04 0.00 0.00 0.00 0.00 54.91 53.98 2c4p h ALA 124 Cb 0.27 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2c4p h ALA 124 CO 0.01 0.89 0.19 0.37 0.00 0.00 0.00 179.25 180.71 2c4p h GLN 125 N 0.11 0.85 -0.02 0.00 4.15 0.92 -1.28 115.11 119.84 2c4p h GLN 125 Ca -0.22 -0.15 -0.17 0.00 0.77 0.00 0.00 58.65 58.88 2c4p h GLN 125 Cb 2.08 -0.14 0.01 0.00 0.21 0.00 0.00 27.48 29.64 2c4p h GLN 125 CO 0.23 0.73 -0.64 0.97 -1.93 0.00 0.00 178.83 178.19 2c4p h ILE 126 N 0.83 1.39 0.06 2.39 2.10 -0.77 -2.07 117.51 121.44 2c4p h ILE 126 Ca 0.19 -2.05 0.03 0.00 1.08 0.00 0.00 64.86 64.11 2c4p h ILE 126 Cb 0.23 2.48 -0.05 0.00 -1.09 0.00 0.00 36.82 38.39 2c4p h ILE 126 CO -0.01 0.61 -0.38 0.22 -1.08 0.00 0.00 178.15 177.50 2c4p h TYR 127 N 0.01 -1.06 0.72 2.19 3.20 -1.19 1.39 116.97 122.23 2c4p h TYR 127 Ca -0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.79 2c4p h TYR 127 Cb 1.33 0.46 0.00 0.00 1.54 0.00 0.00 36.73 40.06 2c4p h TYR 127 CO 0.13 -0.47 -0.41 -0.22 -1.64 0.00 0.00 178.16 175.55 2c4p h LYS 128 N -0.57 -1.01 -0.54 1.82 3.64 -1.32 -3.19 116.57 115.40 2c4p h LYS 128 Ca 0.04 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.47 2c4p h LYS 128 Cb 0.63 0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.66 2c4p h LYS 128 CO -0.26 -0.67 0.24 0.66 -2.27 0.00 0.00 179.45 177.15 2c4p h SER 129 N -1.05 0.72 -2.84 4.20 4.64 -1.30 -3.42 113.55 114.50 2c4p h SER 129 Ca -0.10 -0.14 -0.37 0.00 -0.47 0.00 0.00 61.79 60.71 2c4p h SER 129 Cb 0.82 -0.18 -0.38 0.00 -0.31 0.00 0.00 62.40 62.35 2c4p h SER 129 CO 0.13 0.66 -0.68 -1.81 -0.87 0.00 0.00 176.83 174.26 2c4p s ASP 130 N -5.96 1.62 -0.04 4.97 1.11 0.48 -5.02 116.67 113.81 2c4p s ASP 130 Ca -0.13 -0.26 0.06 0.00 0.18 0.00 0.00 52.55 52.40 2c4p s ASP 130 Cb 0.12 0.12 -0.24 0.00 1.07 0.00 0.00 42.92 43.98 2c4p s ASP 130 CO 0.77 -0.32 0.66 0.07 1.18 0.00 0.00 175.17 177.54 2c4p h LYS 131 N 8.37 0.09 -0.01 8.23 2.10 -1.65 -3.19 116.57 130.51 2c4p h LYS 131 Ca -0.15 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 2c4p h LYS 131 Cb 1.14 0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2c4p h LYS 131 CO 0.26 0.77 0.05 0.93 -2.00 0.00 0.00 179.45 179.46 2c4p h GLU 132 N 0.03 0.00 0.10 0.07 4.39 -1.91 -0.10 114.58 117.15 2c4p h GLU 132 Ca -0.29 0.00 -0.36 0.00 0.34 0.00 0.00 59.36 59.05 2c4p h GLU 132 Cb 2.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.63 2c4p h GLU 132 CO 0.10 0.00 -2.03 1.63 -1.16 0.00 0.00 179.01 177.55 2c4p n LYS 133 N -3.18 0.73 0.30 2.33 4.76 -1.25 -3.64 118.16 118.21 2c4p n LYS 133 Ca -0.03 0.25 -0.17 0.00 -2.87 0.00 0.00 58.31 55.49 2c4p n LYS 133 Cb 0.12 -1.69 -0.09 0.00 -1.84 0.00 0.00 35.03 31.53 2c4p n LYS 133 CO 0.00 0.00 0.00 -0.92 -1.37 0.00 0.00 177.40 175.11 2c4p h TYR 134 N 0.05 -1.12 0.00 2.13 5.03 -1.04 -2.15 116.97 119.88 2c4p h TYR 134 Ca -0.43 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 60.88 2c4p h TYR 134 Cb 2.02 0.42 0.00 0.00 1.55 0.00 0.00 36.73 40.72 2c4p h TYR 134 CO 0.06 -0.59 0.00 0.27 -1.32 0.00 0.00 178.16 176.58 2c4p n ASN 135 N -5.53 0.00 0.12 -2.11 6.94 -0.59 -1.41 115.26 112.69 2c4p n ASN 135 Ca -0.12 0.28 0.12 0.00 -0.02 0.00 0.00 54.58 54.85 2c4p n ASN 135 Cb 0.42 -0.41 0.25 0.00 -2.36 0.00 0.00 39.78 37.68 2c4p n ASN 135 CO 0.00 0.00 0.00 0.03 -1.03 0.00 0.00 177.26 176.26 2c4p h ARG 136 N 0.00 0.00 0.00 -3.83 3.08 -1.46 -3.22 114.38 108.95 2c4p h ARG 136 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2c4p h ARG 136 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2c4p h ARG 136 CO 0.00 0.00 -1.27 1.58 -1.07 0.00 0.00 179.97 179.21 2c4p n HIS 137 N -2.49 0.00 0.11 3.04 -0.00 -0.99 -4.31 115.22 110.58 2c4p n HIS 137 Ca 0.04 0.00 -0.00 0.00 0.46 0.00 0.00 57.72 58.22 2c4p n HIS 137 Cb 0.47 -0.15 0.28 0.00 -0.12 0.00 0.00 29.99 30.48 2c4p n HIS 137 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2c4p h ALA 138 N 0.48 1.25 -0.16 1.57 0.00 -1.34 -2.34 119.26 118.72 2c4p h ALA 138 Ca -0.02 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 2c4p h ALA 138 Cb 0.41 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2c4p h ALA 138 CO 0.00 0.51 -0.37 0.00 0.00 0.00 0.00 179.25 179.39 2c4p h ARG 139 N 0.20 0.53 0.00 0.00 3.08 -1.63 -1.48 114.38 115.08 2c4p h ARG 139 Ca 0.03 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.71 2c4p h ARG 139 Cb 0.67 0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.77 2c4p h ARG 139 CO 0.05 0.97 -0.04 0.93 -1.07 0.00 0.00 179.97 180.81 2c4p h GLU 140 N 0.16 0.00 0.04 0.04 5.08 -1.70 -0.08 114.58 118.12 2c4p h GLU 140 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 2c4p h GLU 140 Cb 0.98 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.20 2c4p h GLU 140 CO 0.08 0.04 -1.43 -1.49 -1.00 0.00 0.00 179.01 175.21 2c4p h TRP 141 N 0.00 0.14 -0.62 4.33 4.06 -1.30 -2.91 115.95 119.65 2c4p h TRP 141 Ca -0.00 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.79 2c4p h TRP 141 Cb 0.24 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 28.36 2c4p h TRP 141 CO 0.00 1.13 0.15 1.15 -3.56 0.00 0.00 178.44 177.31 2c4p h THR 142 N 0.02 1.25 -0.00 1.49 2.02 0.03 0.16 112.91 117.88 2c4p h THR 142 Ca -0.19 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.08 2c4p h THR 142 Cb 1.93 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2c4p h THR 142 CO 0.12 0.34 -0.18 0.00 0.37 0.00 0.00 175.52 176.17 2c4p n GLN 143 N -4.33 0.34 -0.00 6.66 10.64 -0.40 -0.90 117.38 129.38 2c4p n GLN 143 Ca 0.04 -0.12 0.07 0.00 -1.83 0.00 0.00 57.00 55.16 2c4p n GLN 143 Cb 0.24 -1.50 -0.10 0.00 -0.86 0.00 0.00 30.24 28.03 2c4p n GLN 143 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2c4p n LYS 144 N -1.23 1.44 0.00 2.61 4.81 -0.96 -4.49 118.16 120.34 2c4p n LYS 144 Ca 0.10 -0.06 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2c4p n LYS 144 Cb 0.31 -1.25 0.00 0.00 0.02 0.00 0.00 35.03 34.11 2c4p n LYS 144 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2c4p n TYR 145 N -1.65 0.00 -0.96 5.64 4.01 0.50 -4.87 117.16 119.83 2c4p n TYR 145 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.76 2c4p n TYR 145 Cb 0.30 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.35 2c4p n TYR 145 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2c4p n ALA 146 N -0.01 1.70 1.81 -0.72 0.00 -0.08 -4.60 120.51 118.62 2c4p n ALA 146 Ca 0.00 -1.11 0.15 0.00 0.00 0.00 0.00 53.44 52.48 2c4p n ALA 146 Cb 0.21 -0.17 0.79 0.00 0.00 0.00 0.00 19.45 20.27 2c4p n ALA 146 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17