#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpe s ALA 2 N 0.00 2.77 -0.10 3.04 0.00 -1.26 -5.10 121.76 121.12 2jpe s ALA 2 Ca 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 51.96 50.61 2jpe s ALA 2 Cb 0.00 0.92 0.02 0.00 0.00 0.00 0.00 23.12 24.07 2jpe s ALA 2 CO 0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 175.76 175.27 2jpe s ALA 3 N -3.23 1.22 -0.31 0.00 0.00 -1.26 -5.01 121.76 113.17 2jpe s ALA 3 Ca 0.26 -0.46 0.15 0.00 0.00 0.00 0.00 51.96 51.91 2jpe s ALA 3 Cb 0.02 -0.81 0.47 0.00 0.00 0.00 0.00 23.12 22.80 2jpe s ALA 3 CO 0.18 -0.31 1.09 0.00 0.00 0.00 0.00 175.76 176.72 2jpe n ALA 4 N 4.72 3.80 -1.92 0.00 0.00 -1.26 -5.06 120.51 120.78 2jpe n ALA 4 Ca -0.14 -3.36 -0.43 0.00 0.00 0.00 0.00 53.44 49.51 2jpe n ALA 4 Cb 0.50 -0.70 -0.03 0.00 0.00 0.00 0.00 19.45 19.23 2jpe n ALA 4 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2jpe s VAL 5 N -4.13 3.39 -0.18 0.00 -7.23 -1.26 -4.76 120.40 106.23 2jpe s VAL 5 Ca 0.36 0.41 0.09 0.00 -1.81 0.00 0.00 61.98 61.03 2jpe s VAL 5 Cb 0.39 -3.51 -0.12 0.00 0.56 0.00 0.00 36.38 33.70 2jpe s VAL 5 CO -0.03 -0.31 0.27 -0.46 -0.31 0.00 0.00 175.10 174.26 2jpe n ASN 6 N 10.34 1.86 -4.77 4.85 6.94 -1.26 -5.01 115.26 128.21 2jpe n ASN 6 Ca 0.24 -0.30 -0.41 0.00 -0.02 0.00 0.00 54.58 54.08 2jpe n ASN 6 Cb 0.46 1.23 -0.00 0.00 -2.36 0.00 0.00 39.78 39.11 2jpe n ASN 6 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2jpe n SER 7 N -1.55 3.75 -0.74 0.53 2.88 -1.26 -4.72 113.62 112.51 2jpe n SER 7 Ca -0.00 1.22 0.07 0.00 -1.33 0.00 0.00 58.87 58.83 2jpe n SER 7 Cb 0.19 -1.61 -0.02 0.00 -0.75 0.00 0.00 64.21 62.02 2jpe n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jpe n GLY 8 N 0.66 -0.87 0.22 0.46 0.00 -1.26 -4.48 105.19 99.91 2jpe n GLY 8 Ca 0.02 -0.63 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 2jpe n GLY 8 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2jpe h SER 9 N -0.48 -0.40 -1.06 1.61 4.64 -1.99 -3.47 113.55 112.40 2jpe h SER 9 Ca 0.01 0.01 0.18 0.00 -0.47 0.00 0.00 61.79 61.53 2jpe h SER 9 Cb 0.47 0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 62.41 2jpe h SER 9 CO 0.00 0.04 0.30 -0.94 -0.87 0.00 0.00 176.83 175.37 2jpe s SER 10 N -5.01 -0.48 0.18 4.97 1.04 -1.26 -5.04 113.70 108.10 2jpe s SER 10 Ca -0.07 0.67 0.08 0.00 0.48 0.00 0.00 55.95 57.11 2jpe s SER 10 Cb 0.01 1.51 -0.04 0.00 0.10 0.00 0.00 66.02 67.59 2jpe s SER 10 CO 0.21 -0.10 -0.16 -0.76 0.98 0.00 0.00 173.24 173.41 2jpe s LEU 11 N 2.24 2.50 0.00 2.42 2.01 -1.26 -5.16 118.68 121.43 2jpe s LEU 11 Ca -0.03 -0.94 0.00 0.00 0.01 0.00 0.00 54.13 53.17 2jpe s LEU 11 Cb -0.05 -0.70 0.00 0.00 0.01 0.00 0.00 46.19 45.45 2jpe s LEU 11 CO -0.17 -0.13 0.00 -0.81 1.01 0.00 0.00 176.35 176.26 2jpe n PRO 12 N -0.04 0.70 0.00 1.29 -0.04 -1.26 -5.01 135.00 130.64 2jpe n PRO 12 Ca -0.11 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.38 2jpe n PRO 12 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 2jpe n PRO 12 CO 0.00 0.00 0.00 1.47 -0.04 0.00 0.00 175.50 176.93 2jpe n LEU 13 N 0.00 0.49 -3.63 1.53 -0.00 -1.26 -5.07 117.00 109.06 2jpe n LEU 13 Ca 0.00 -0.61 0.02 0.00 -0.00 0.00 0.00 56.01 55.41 2jpe n LEU 13 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2jpe n LEU 13 CO 0.00 0.11 1.07 0.12 -0.00 0.00 0.00 177.39 178.69 2jpe s PHE 14 N -1.20 -0.04 -0.21 1.47 5.36 -1.26 -4.97 117.98 117.13 2jpe s PHE 14 Ca 0.03 -0.06 -0.04 0.00 -0.96 0.00 0.00 56.93 55.89 2jpe s PHE 14 Cb 0.04 0.54 0.08 0.00 -0.34 0.00 0.00 43.02 43.34 2jpe s PHE 14 CO 0.16 -0.26 0.13 0.34 -1.46 0.00 0.00 175.22 174.13 2jpe s ASP 15 N -3.02 2.46 0.27 6.13 2.15 -1.26 -5.12 116.67 118.27 2jpe s ASP 15 Ca 0.15 -0.73 -0.30 0.00 0.43 0.00 0.00 52.55 52.10 2jpe s ASP 15 Cb 0.05 -0.14 -0.11 0.00 -0.30 0.00 0.00 42.92 42.43 2jpe s ASP 15 CO -0.04 -0.37 1.51 0.00 -0.17 0.00 0.00 175.17 176.10 2jpe n PRO 17 N 2.26 0.77 0.00 0.00 -0.04 -1.26 -5.00 135.00 131.72 2jpe n PRO 17 Ca 0.07 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.57 2jpe n PRO 17 Cb 0.39 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.86 2jpe n PRO 17 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2jpe n THR 18 N -0.56 0.00 1.14 0.52 5.66 -1.26 -4.34 114.28 115.43 2jpe n THR 18 Ca 0.00 -0.45 0.12 0.00 -3.05 0.00 0.00 64.05 60.68 2jpe n THR 18 Cb 0.00 1.11 0.20 0.00 -1.55 0.00 0.00 70.33 70.09 2jpe n THR 18 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2jpe n TRP 19 N -0.09 0.00 -2.65 1.09 4.27 -1.26 -4.91 117.44 113.90 2jpe n TRP 19 Ca 0.04 0.00 -0.37 0.00 -3.89 0.00 0.00 57.50 53.27 2jpe n TRP 19 Cb 0.17 -0.06 -0.05 0.00 -1.36 0.00 0.00 31.31 30.01 2jpe n TRP 19 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jpe s ALA 20 N -2.45 3.19 0.00 -1.67 0.00 -1.26 -0.21 121.76 119.36 2jpe s ALA 20 Ca 0.22 0.64 0.00 0.00 0.00 0.00 0.00 51.96 52.83 2jpe s ALA 20 Cb 0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2jpe s ALA 20 CO 0.53 -0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2jpe n GLY 21 N 0.58 3.89 2.77 0.00 0.00 -1.15 -4.79 105.19 106.49 2jpe n GLY 21 Ca 0.03 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 2jpe n GLY 21 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpe s LYS 22 N 3.11 0.02 0.39 1.61 3.01 -1.26 -4.39 119.74 122.22 2jpe s LYS 22 Ca 0.00 0.44 -0.25 0.00 -1.01 0.00 0.00 55.97 55.15 2jpe s LYS 22 Cb 0.00 -0.53 -0.09 0.00 -1.01 0.00 0.00 37.83 36.20 2jpe s LYS 22 CO 0.00 -0.37 1.06 -1.25 0.51 0.00 0.00 175.35 175.30 2jpe s PRO 23 N 2.25 4.21 0.68 -1.68 0.04 -1.26 -5.04 135.00 134.21 2jpe s PRO 23 Ca 0.04 1.55 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 2jpe s PRO 23 Cb -0.13 -2.62 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2jpe s PRO 23 CO -0.06 -0.11 1.06 -1.25 0.04 0.00 0.00 177.00 176.68 2jpe s PRO 24 N -2.37 2.99 -1.13 0.56 0.04 -1.26 -4.65 135.00 129.19 2jpe s PRO 24 Ca 0.56 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 2jpe s PRO 24 Cb -0.23 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2jpe s PRO 24 CO 0.29 -1.06 2.02 -0.35 0.04 0.00 0.00 177.00 177.95 2jpe n PRO 25 N -2.99 2.19 -0.85 0.56 -0.04 -1.26 -3.66 135.00 128.95 2jpe n PRO 25 Ca 0.08 -2.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.17 2jpe n PRO 25 Cb 0.53 -3.20 -0.02 0.00 -0.04 0.00 0.00 33.50 30.77 2jpe n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jpe n GLY 26 N 4.59 -0.00 3.32 0.55 0.00 -1.26 -5.05 105.19 107.34 2jpe n GLY 26 Ca 0.50 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 2jpe n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpe s LEU 27 N -0.17 2.37 -0.28 0.99 1.43 -1.24 0.48 118.68 122.26 2jpe s LEU 27 Ca 0.00 -1.13 -0.27 0.00 -1.03 0.00 0.00 54.13 51.70 2jpe s LEU 27 Cb 0.02 -0.39 0.18 0.00 0.03 0.00 0.00 46.19 46.02 2jpe s LEU 27 CO -0.01 -0.40 1.31 -1.38 0.23 0.00 0.00 176.35 176.11 2jpe s HIS 28 N -3.28 -0.14 0.71 0.29 -3.43 -1.25 -3.93 115.29 104.26 2jpe s HIS 28 Ca 0.25 0.30 -0.04 0.00 -0.80 0.00 0.00 55.06 54.77 2jpe s HIS 28 Cb 0.04 0.47 0.09 0.00 -1.43 0.00 0.00 32.58 31.75 2jpe s HIS 28 CO 0.07 -0.09 1.00 -1.17 -2.00 0.00 0.00 174.74 172.54 2jpe s LEU 29 N -0.42 2.95 0.24 5.38 1.98 0.55 -2.64 118.68 126.72 2jpe s LEU 29 Ca 0.06 0.07 -0.20 0.00 -2.89 0.00 0.00 54.13 51.17 2jpe s LEU 29 Cb -0.03 -2.59 0.03 0.00 0.66 0.00 0.00 46.19 44.26 2jpe s LEU 29 CO -0.10 -1.73 0.65 -1.81 -1.89 0.00 0.00 176.35 171.47 2jpe s ASP 30 N -4.62 -0.30 0.00 3.68 1.11 -1.22 -1.19 116.67 114.13 2jpe s ASP 30 Ca 0.63 -0.52 -0.00 0.00 0.18 0.00 0.00 52.55 52.84 2jpe s ASP 30 Cb -0.08 0.67 -0.00 0.00 1.07 0.00 0.00 42.92 44.58 2jpe s ASP 30 CO 0.44 -1.23 0.01 -0.69 1.18 0.00 0.00 175.17 174.88 2jpe s VAL 31 N -3.89 0.03 -0.03 -1.27 1.01 -0.93 -2.66 120.40 112.66 2jpe s VAL 31 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.85 2jpe s VAL 31 Cb -0.04 -0.09 0.03 0.00 0.00 0.00 0.00 36.38 36.27 2jpe s VAL 31 CO 0.02 -0.13 0.00 -0.69 0.00 0.00 0.00 175.10 174.31 2jpe s VAL 32 N -0.37 0.14 -0.08 2.92 1.01 -1.25 0.17 120.40 122.94 2jpe s VAL 32 Ca -0.04 0.09 0.31 0.00 0.00 0.00 0.00 61.98 62.34 2jpe s VAL 32 Cb -0.03 -0.24 0.36 0.00 0.00 0.00 0.00 36.38 36.48 2jpe s VAL 32 CO -0.00 0.13 1.89 0.07 0.00 0.00 0.00 175.10 177.19 2jpe h LYS 33 N 7.20 0.00 0.00 2.72 5.09 -1.75 1.57 116.57 131.40 2jpe h LYS 33 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.31 2jpe h LYS 33 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 2jpe h LYS 33 CO 0.48 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.25 2jpe n GLY 34 N 0.23 -0.59 0.60 0.07 0.00 -1.26 -4.65 105.19 99.60 2jpe n GLY 34 Ca 0.01 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.41 2jpe n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2jpe n ASP 35 N 0.00 0.51 -3.73 1.61 9.92 -1.26 -4.99 116.55 118.61 2jpe n ASP 35 Ca 0.00 -2.20 -0.13 0.00 -0.53 0.00 0.00 54.79 51.94 2jpe n ASP 35 Cb 0.00 -0.26 -0.13 0.00 -0.64 0.00 0.00 41.12 40.09 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2jpe s LYS 36 N -0.47 0.18 -0.12 -1.24 2.20 -1.26 -5.12 119.74 113.92 2jpe s LYS 36 Ca 0.11 0.49 -0.29 0.00 -0.36 0.00 0.00 55.97 55.92 2jpe s LYS 36 Cb 0.11 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.26 2jpe s LYS 36 CO -0.02 -0.16 1.52 -1.17 -0.36 0.00 0.00 175.35 175.16 2jpe s LEU 37 N 1.22 4.21 0.00 5.43 1.98 -1.26 -1.99 118.68 128.27 2jpe s LEU 37 Ca -0.09 1.96 0.00 0.00 -2.89 0.00 0.00 54.13 53.11 2jpe s LEU 37 Cb -0.10 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.21 2jpe s LEU 37 CO -0.08 -0.92 0.08 -0.38 -1.89 0.00 0.00 176.35 173.16 2jpe n ILE 38 N 5.59 0.00 -4.24 6.68 2.08 0.13 -4.95 119.36 124.65 2jpe n ILE 38 Ca 0.16 0.34 -0.12 0.00 0.56 0.00 0.00 62.75 63.69 2jpe n ILE 38 Cb 0.44 -0.85 -0.03 0.00 -0.75 0.00 0.00 39.64 38.44 2jpe n ILE 38 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2jpe n GLU 39 N -1.17 0.76 -3.92 0.38 0.28 -1.24 -5.00 120.64 110.73 2jpe n GLU 39 Ca 0.00 -1.64 -0.10 0.00 -0.16 0.00 0.00 57.16 55.26 2jpe n GLU 39 Cb 0.00 0.90 -0.12 0.00 1.43 0.00 0.00 31.44 33.65 2jpe n GLU 39 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2jpe s LYS 40 N -2.74 0.24 0.20 3.44 2.20 -1.26 -2.20 119.74 119.63 2jpe s LYS 40 Ca 0.10 -0.35 0.00 0.00 -0.36 0.00 0.00 55.97 55.36 2jpe s LYS 40 Cb 0.00 0.09 -0.04 0.00 -1.51 0.00 0.00 37.83 36.37 2jpe s LYS 40 CO 0.07 -0.04 0.09 -0.51 -0.36 0.00 0.00 175.35 174.59 2jpe s LEU 41 N -0.93 1.57 0.07 5.43 1.43 -0.33 -4.94 118.68 120.97 2jpe s LEU 41 Ca -0.10 -1.32 0.04 0.00 -1.03 0.00 0.00 54.13 51.72 2jpe s LEU 41 Cb -0.06 0.18 -0.04 0.00 0.03 0.00 0.00 46.19 46.30 2jpe s LEU 41 CO -0.00 -0.74 -0.02 -0.63 0.23 0.00 0.00 176.35 175.19 2jpe s ILE 42 N -3.93 3.94 -0.00 -0.59 1.09 -1.26 0.21 121.20 120.65 2jpe s ILE 42 Ca 0.34 -0.93 0.00 0.00 -1.10 0.00 0.00 60.65 58.96 2jpe s ILE 42 Cb 0.07 -2.84 0.00 0.00 -1.06 0.00 0.00 42.46 38.64 2jpe s ILE 42 CO 0.09 0.19 0.70 2.30 -0.10 0.00 0.00 174.94 178.13 2jpe n ILE 43 N 0.82 0.02 -2.29 2.92 -6.64 -1.26 -4.53 119.36 108.41 2jpe n ILE 43 Ca -0.12 -0.02 -0.35 0.00 -1.77 0.00 0.00 62.75 60.48 2jpe n ILE 43 Cb 0.52 0.79 0.02 0.00 -1.44 0.00 0.00 39.64 39.53 2jpe n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 2jpe n ASP 44 N -0.01 6.38 0.00 7.28 3.85 -1.25 -4.44 116.55 128.35 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.71 0.00 0.00 54.79 50.31 2jpe n ASP 44 Cb 0.58 -0.85 0.00 0.00 -1.35 0.00 0.00 41.12 39.49 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2jpe n GLU 45 N -0.43 0.00 -1.98 0.11 1.02 -1.26 -4.65 120.64 113.45 2jpe n GLU 45 Ca 0.46 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.57 2jpe n GLU 45 Cb 0.38 -0.27 -0.00 0.00 -0.02 0.00 0.00 31.44 31.52 2jpe n GLU 45 CO 0.00 0.00 0.00 0.36 1.18 0.00 0.00 177.13 178.67 2jpe n LYS 46 N -2.15 1.64 0.00 3.49 -0.00 -1.26 -4.91 118.16 114.97 2jpe n LYS 46 Ca 0.00 -0.35 0.00 0.00 -0.00 0.00 0.00 58.31 57.97 2jpe n LYS 46 Cb 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 35.03 35.15 2jpe n LYS 46 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 2jpe n LYS 47 N -0.39 2.57 -3.58 -1.58 0.00 -1.26 -4.10 118.16 109.82 2jpe n LYS 47 Ca -0.01 -0.30 -0.02 0.00 -0.00 0.00 0.00 58.31 57.98 2jpe n LYS 47 Cb 0.06 -0.80 -0.05 0.00 -0.00 0.00 0.00 35.03 34.24 2jpe n LYS 47 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2jpe s TYR 48 N -0.53 -0.93 0.00 5.58 -0.85 -1.26 -0.21 117.35 119.15 2jpe s TYR 48 Ca 0.01 1.71 0.00 0.00 -0.52 0.00 0.00 57.07 58.27 2jpe s TYR 48 Cb 0.01 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.91 2jpe s TYR 48 CO 0.02 -0.46 0.00 0.66 -1.52 0.00 0.00 175.55 174.25 2jpe n TYR 49 N 4.68 -0.12 -4.47 -3.49 4.01 -0.60 -4.95 117.16 112.24 2jpe n TYR 49 Ca -0.14 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.36 2jpe n TYR 49 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 2jpe n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jpe s LEU 50 N 0.00 1.99 -0.30 7.72 1.02 -1.26 -1.91 118.68 125.94 2jpe s LEU 50 Ca 0.00 -1.55 -0.02 0.00 0.02 0.00 0.00 54.13 52.57 2jpe s LEU 50 Cb 0.00 -0.16 0.19 0.00 0.02 0.00 0.00 46.19 46.24 2jpe s LEU 50 CO 0.00 -0.82 0.69 -0.36 0.02 0.00 0.00 176.35 175.89 2jpe s PHE 51 N -3.31 -1.42 0.00 0.29 0.08 0.20 -4.03 117.98 109.79 2jpe s PHE 51 Ca 0.29 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.71 2jpe s PHE 51 Cb 0.05 0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.94 2jpe s PHE 51 CO 0.15 -0.79 0.00 0.41 -0.10 0.00 0.00 175.22 174.89 2jpe n GLY 52 N 5.42 -0.27 0.29 4.36 0.00 -1.24 0.68 105.19 114.44 2jpe n GLY 52 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2jpe n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpe n ARG 53 N 0.00 0.00 -2.68 1.61 1.74 -1.00 0.29 116.66 116.61 2jpe n ARG 53 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2jpe n ARG 53 Cb 0.00 -0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2jpe n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jpe s ASN 54 N -1.15 6.63 0.47 0.55 3.04 -1.23 -4.75 114.94 118.50 2jpe s ASN 54 Ca 0.00 0.45 0.27 0.00 0.04 0.00 0.00 52.86 53.61 2jpe s ASN 54 Cb 0.00 -2.52 0.79 0.00 -1.54 0.00 0.00 41.25 37.99 2jpe s ASN 54 CO 0.00 -1.13 1.77 1.55 -3.04 0.00 0.00 177.10 176.25 2jpe h PRO 55 N 9.01 0.00 0.00 0.43 0.13 -1.78 0.60 132.00 140.39 2jpe h PRO 55 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2jpe h PRO 55 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jpe h PRO 55 CO 1.08 0.07 0.04 0.22 -0.23 0.00 0.00 178.00 179.18 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 1.82 -1.94 -3.15 116.42 114.59 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jpe h ASP 56 Cb 0.81 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.82 2jpe h ASP 56 CO 0.01 0.00 -0.82 0.18 -1.61 0.00 0.00 179.24 177.00 2jpe n LEU 57 N -2.44 0.46 -4.95 2.28 4.77 -1.10 -5.07 117.00 110.95 2jpe n LEU 57 Ca -0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 2jpe n LEU 57 Cb 0.08 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.21 2jpe n LEU 57 CO 0.12 0.00 0.42 0.00 -1.33 0.00 0.00 177.39 176.60 2jpe n ASP 59 N -2.44 0.92 -1.99 0.00 8.00 -1.26 -4.15 116.55 115.62 2jpe n ASP 59 Ca 0.06 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.76 2jpe n ASP 59 Cb 0.59 0.10 0.00 0.00 -0.02 0.00 0.00 41.12 41.79 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2jpe n PHE 60 N -3.04 -1.58 -3.65 1.24 3.01 -1.26 -4.96 117.46 107.22 2jpe n PHE 60 Ca -0.27 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.12 2jpe n PHE 60 Cb 1.08 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.47 2jpe n PHE 60 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2jpe s THR 61 N 0.06 -0.74 0.29 4.37 -4.23 -1.26 -4.39 115.64 109.74 2jpe s THR 61 Ca 0.00 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.66 2jpe s THR 61 Cb 0.00 -0.75 0.09 0.00 1.34 0.00 0.00 72.50 73.17 2jpe s THR 61 CO 0.00 0.05 1.75 0.40 -0.54 0.00 0.00 174.62 176.28 2jpe h ILE 62 N 6.13 1.25 -3.38 2.99 2.04 -0.49 -3.47 117.51 122.58 2jpe h ILE 62 Ca -0.16 -1.17 -0.10 0.00 1.00 0.00 0.00 64.86 64.43 2jpe h ILE 62 Cb 1.11 1.25 0.06 0.00 -0.74 0.00 0.00 36.82 38.50 2jpe h ILE 62 CO 0.11 0.38 -0.26 -0.67 0.00 0.00 0.00 178.15 177.71 2jpe n ASP 63 N -4.15 -2.47 -3.72 1.72 4.64 -1.24 -5.02 116.55 106.31 2jpe n ASP 63 Ca 0.00 -0.21 -0.12 0.00 -1.38 0.00 0.00 54.79 53.08 2jpe n ASP 63 Cb 0.37 -2.02 -0.10 0.00 -1.04 0.00 0.00 41.12 38.33 2jpe n ASP 63 CO 0.00 0.00 0.00 -2.28 -0.82 0.00 0.00 177.20 174.10 2jpe s HIS 64 N -3.12 -0.52 0.15 -0.67 2.46 -1.26 -5.04 115.29 107.29 2jpe s HIS 64 Ca 0.05 1.20 -0.10 0.00 0.47 0.00 0.00 55.06 56.67 2jpe s HIS 64 Cb -0.01 0.20 -0.02 0.00 -0.13 0.00 0.00 32.58 32.62 2jpe s HIS 64 CO 0.24 -0.26 1.50 -0.56 -2.47 0.00 0.00 174.74 173.19 2jpe h GLN 65 N 5.99 0.95 -0.17 2.88 3.07 -1.97 -3.17 115.11 122.69 2jpe h GLN 65 Ca -0.30 -0.47 0.05 0.00 0.09 0.00 0.00 58.65 58.02 2jpe h GLN 65 Cb 1.18 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.68 2jpe h GLN 65 CO 0.25 1.13 -0.24 0.77 0.09 0.00 0.00 178.83 180.84 2jpe h SER 66 N 0.79 -0.75 -1.27 0.06 0.02 -2.01 -3.42 113.55 106.97 2jpe h SER 66 Ca 0.08 0.13 -0.09 0.00 -0.84 0.00 0.00 61.79 61.06 2jpe h SER 66 Cb 0.93 0.34 0.05 0.00 0.14 0.00 0.00 62.40 63.86 2jpe h SER 66 CO 0.09 -0.28 -0.04 0.00 -1.14 0.00 0.00 176.83 175.45 2jpe s SER 68 N -1.97 1.01 0.30 0.00 0.01 -1.26 -4.99 113.70 106.80 2jpe s SER 68 Ca 0.16 -1.27 -0.01 0.00 1.31 0.00 0.00 55.95 56.14 2jpe s SER 68 Cb -0.03 0.18 0.68 0.00 0.21 0.00 0.00 66.02 67.06 2jpe s SER 68 CO 0.14 -0.67 1.57 0.03 0.41 0.00 0.00 173.24 174.72 2jpe h ARG 69 N 2.59 0.01 -2.17 12.44 -0.00 -1.93 -1.58 114.38 123.75 2jpe h ARG 69 Ca -0.37 -0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.53 2jpe h ARG 69 Cb 1.22 -0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.78 2jpe h ARG 69 CO 0.61 0.01 -0.76 0.28 0.00 0.00 0.00 179.97 180.10 2jpe n VAL 70 N -5.50 1.80 -0.21 2.04 0.31 -1.26 -2.38 118.33 113.13 2jpe n VAL 70 Ca 0.21 -5.07 0.01 0.00 -0.01 0.00 0.00 64.34 59.49 2jpe n VAL 70 Cb 0.69 -1.64 0.11 0.00 -0.91 0.00 0.00 33.84 32.09 2jpe n VAL 70 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2jpe h HIS 71 N 3.64 -0.02 -2.52 3.52 2.76 0.14 -3.43 115.15 119.23 2jpe h HIS 71 Ca 0.15 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.68 0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.75 2jpe h HIS 71 CO 0.67 -0.16 0.21 0.00 -1.30 0.00 0.00 177.93 177.34 2jpe n ALA 72 N -2.80 -1.20 -3.16 5.26 0.00 0.22 -3.00 120.51 115.82 2jpe n ALA 72 Ca 0.10 -0.75 -0.12 0.00 0.00 0.00 0.00 53.44 52.66 2jpe n ALA 72 Cb 0.37 0.57 -0.10 0.00 0.00 0.00 0.00 19.45 20.29 2jpe n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe s ALA 73 N -1.66 -0.56 0.27 0.00 0.00 -0.74 0.59 121.76 119.66 2jpe s ALA 73 Ca 0.11 0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.36 2jpe s ALA 73 Cb -0.03 -0.04 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 2jpe s ALA 73 CO 0.07 -0.20 0.40 -1.17 0.00 0.00 0.00 175.76 174.85 2jpe s LEU 74 N -0.97 4.22 -0.21 0.00 0.20 -0.80 -0.15 118.68 120.96 2jpe s LEU 74 Ca -0.11 0.04 -0.11 0.00 0.69 0.00 0.00 54.13 54.64 2jpe s LEU 74 Cb -0.05 -2.86 0.08 0.00 -0.43 0.00 0.00 46.19 42.92 2jpe s LEU 74 CO 0.02 -0.17 0.50 -0.69 -0.29 0.00 0.00 176.35 175.73 2jpe s VAL 75 N -2.04 -0.22 -0.42 1.68 1.01 0.55 -1.55 120.40 119.40 2jpe s VAL 75 Ca 0.37 0.08 -0.20 0.00 0.00 0.00 0.00 61.98 62.23 2jpe s VAL 75 Cb -0.09 -0.75 0.02 0.00 0.00 0.00 0.00 36.38 35.56 2jpe s VAL 75 CO 0.30 0.03 0.58 -0.47 0.00 0.00 0.00 175.10 175.54 2jpe s TYR 76 N 1.81 3.10 0.80 5.22 5.04 0.71 0.17 117.35 134.20 2jpe s TYR 76 Ca -0.08 -0.11 -0.13 0.00 -2.44 0.00 0.00 57.07 54.32 2jpe s TYR 76 Cb -0.08 -3.19 0.08 0.00 0.35 0.00 0.00 41.96 39.11 2jpe s TYR 76 CO -0.15 -0.79 1.17 -1.58 -1.34 0.00 0.00 175.55 172.86 2jpe s HIS 77 N 2.60 1.97 -0.07 4.97 2.46 0.36 -2.91 115.29 124.68 2jpe s HIS 77 Ca 0.20 1.66 -0.01 0.00 0.47 0.00 0.00 55.06 57.38 2jpe s HIS 77 Cb -0.15 -3.38 -0.04 0.00 -0.13 0.00 0.00 32.58 28.88 2jpe s HIS 77 CO 0.17 -2.57 -0.07 0.36 -2.47 0.00 0.00 174.74 170.16 2jpe n LYS 78 N -3.31 0.16 0.03 2.88 2.85 0.71 -3.12 118.16 118.34 2jpe n LYS 78 Ca 0.12 0.05 0.10 0.00 -1.05 0.00 0.00 58.31 57.53 2jpe n LYS 78 Cb 0.51 -1.02 0.44 0.00 -0.65 0.00 0.00 35.03 34.31 2jpe n LYS 78 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jpe n HIS 79 N -2.87 0.19 -0.01 5.58 8.25 -1.26 -3.04 115.22 122.06 2jpe n HIS 79 Ca -0.12 0.06 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 2jpe n HIS 79 Cb 0.62 -0.61 -0.02 0.00 1.12 0.00 0.00 29.99 31.10 2jpe n HIS 79 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jpe n LEU 80 N -1.66 0.00 -1.99 2.41 4.77 -1.26 -5.02 117.00 114.24 2jpe n LEU 80 Ca 0.05 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 2jpe n LEU 80 Cb 0.25 0.06 0.03 0.00 -2.33 0.00 0.00 43.42 41.43 2jpe n LEU 80 CO 0.20 0.06 0.04 0.29 -1.33 0.00 0.00 177.39 176.64 2jpe n LYS 81 N -1.99 -3.35 -1.45 3.23 4.01 -1.17 -5.01 118.16 112.42 2jpe n LYS 81 Ca -0.04 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.29 2jpe n LYS 81 Cb 0.48 -4.61 0.00 0.00 -0.51 0.00 0.00 35.03 30.39 2jpe n LYS 81 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2jpe n ARG 82 N -2.81 1.31 -4.39 1.97 1.74 -1.21 -4.93 116.66 108.33 2jpe n ARG 82 Ca -0.05 0.00 -0.25 0.00 -0.77 0.00 0.00 57.85 56.78 2jpe n ARG 82 Cb 0.56 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.91 2jpe n ARG 82 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jpe s VAL 83 N -1.07 2.46 -0.00 1.55 1.01 -1.22 0.14 120.40 123.26 2jpe s VAL 83 Ca 0.00 -2.01 -0.10 0.00 0.00 0.00 0.00 61.98 59.87 2jpe s VAL 83 Cb 0.00 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.59 2jpe s VAL 83 CO 0.00 -0.17 0.20 -0.36 0.00 0.00 0.00 175.10 174.78 2jpe s PHE 84 N -2.56 -0.04 -0.27 5.22 0.40 0.45 0.22 117.98 121.41 2jpe s PHE 84 Ca 0.35 -0.00 0.02 0.00 -0.60 0.00 0.00 56.93 56.70 2jpe s PHE 84 Cb 0.02 0.01 0.07 0.00 0.51 0.00 0.00 43.02 43.62 2jpe s PHE 84 CO 0.19 -0.34 -0.06 -1.17 0.70 0.00 0.00 175.22 174.55 2jpe s LEU 85 N -1.42 3.31 -0.46 -0.37 2.96 -0.62 -0.33 118.68 121.75 2jpe s LEU 85 Ca -0.14 -1.46 -0.19 0.00 -0.22 0.00 0.00 54.13 52.12 2jpe s LEU 85 Cb -0.06 -1.40 0.04 0.00 0.50 0.00 0.00 46.19 45.26 2jpe s LEU 85 CO 0.02 -0.25 0.59 -0.63 -1.32 0.00 0.00 176.35 174.76 2jpe s ILE 86 N 1.19 4.90 -0.75 6.68 1.01 0.78 -2.81 121.20 132.22 2jpe s ILE 86 Ca -0.04 -0.23 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 2jpe s ILE 86 Cb -0.19 -4.21 -0.02 0.00 0.01 0.00 0.00 42.46 38.05 2jpe s ILE 86 CO -0.07 -0.64 1.78 -0.62 0.00 0.00 0.00 174.94 175.39 2jpe s ASP 87 N 2.23 5.43 -1.11 3.58 -1.08 -1.25 -1.80 116.67 122.68 2jpe s ASP 87 Ca 0.17 -0.20 -0.23 0.00 -0.52 0.00 0.00 52.55 51.77 2jpe s ASP 87 Cb -0.17 -2.55 -0.05 0.00 -1.46 0.00 0.00 42.92 38.69 2jpe s ASP 87 CO 0.15 -2.36 1.89 -0.76 0.52 0.00 0.00 175.17 174.61 2jpe s LEU 88 N 8.66 3.19 -0.92 -1.34 1.43 -1.16 -1.35 118.68 127.18 2jpe s LEU 88 Ca 0.62 -1.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 2jpe s LEU 88 Cb -0.09 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.55 2jpe s LEU 88 CO 0.11 -2.71 0.09 -0.46 0.23 0.00 0.00 176.35 173.61 2jpe n ASN 89 N 13.38 -0.04 -4.68 2.29 0.23 -1.24 -4.67 115.26 120.53 2jpe n ASN 89 Ca 0.43 -0.80 -0.43 0.00 -0.53 0.00 0.00 54.58 53.25 2jpe n ASN 89 Cb 0.47 -0.99 -0.01 0.00 -2.08 0.00 0.00 39.78 37.17 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jpe n SER 90 N -1.53 2.67 -0.34 0.53 2.88 -1.25 -4.83 113.62 111.74 2jpe n SER 90 Ca -0.18 1.18 0.12 0.00 -1.33 0.00 0.00 58.87 58.67 2jpe n SER 90 Cb 0.42 -1.45 0.25 0.00 -0.75 0.00 0.00 64.21 62.68 2jpe n SER 90 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jpe n THR 91 N 0.94 -0.41 0.00 2.46 5.66 -1.26 -3.67 114.28 118.00 2jpe n THR 91 Ca 0.08 2.18 0.00 0.00 -3.05 0.00 0.00 64.05 63.26 2jpe n THR 91 Cb 0.34 -3.15 0.00 0.00 -1.55 0.00 0.00 70.33 65.97 2jpe n THR 91 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 2jpe n HIS 92 N -5.51 0.00 0.00 1.09 8.25 -1.26 -5.14 115.22 112.65 2jpe n HIS 92 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.67 2jpe n HIS 92 Cb 0.69 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.80 2jpe n HIS 92 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpe n GLY 93 N 2.05 2.08 3.44 -1.41 0.00 -1.24 -4.99 105.19 105.11 2jpe n GLY 93 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2jpe n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jpe s THR 94 N -2.00 2.58 0.22 2.61 2.01 -1.26 0.18 115.64 119.98 2jpe s THR 94 Ca 0.00 -1.55 0.01 0.00 0.31 0.00 0.00 61.69 60.46 2jpe s THR 94 Cb 0.00 -2.15 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 2jpe s THR 94 CO 0.00 0.14 0.07 -0.36 -0.69 0.00 0.00 174.62 173.78 2jpe s PHE 95 N -1.06 1.40 -0.52 4.92 0.40 -0.24 -0.21 117.98 122.66 2jpe s PHE 95 Ca 0.16 -1.14 0.05 0.00 -0.60 0.00 0.00 56.93 55.39 2jpe s PHE 95 Cb -0.10 -0.80 0.38 0.00 0.51 0.00 0.00 43.02 43.00 2jpe s PHE 95 CO 0.08 -0.32 1.04 -0.11 0.70 0.00 0.00 175.22 176.61 2jpe n LEU 96 N -0.37 4.65 0.00 -0.37 7.94 0.12 -1.61 117.00 127.35 2jpe n LEU 96 Ca -0.02 -5.46 0.00 0.00 -1.11 0.00 0.00 56.01 49.42 2jpe n LEU 96 Cb 0.65 -0.52 0.00 0.00 0.53 0.00 0.00 43.42 44.08 2jpe n LEU 96 CO 0.36 2.30 0.00 0.61 -1.11 0.00 0.00 177.39 179.54 2jpe n GLY 97 N -0.36 2.13 0.17 -3.96 0.00 0.29 -3.90 105.19 99.56 2jpe n GLY 97 Ca 0.35 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2jpe n GLY 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jpe n HIS 98 N 0.00 0.00 -4.43 1.61 1.44 -1.26 -4.84 115.22 107.73 2jpe n HIS 98 Ca 0.00 -0.04 -0.29 0.00 -2.01 0.00 0.00 57.72 55.38 2jpe n HIS 98 Cb 0.00 -0.02 -0.13 0.00 0.12 0.00 0.00 29.99 29.96 2jpe n HIS 98 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jpe s ILE 99 N -0.10 2.23 -0.10 0.61 1.01 -1.25 -5.13 121.20 118.47 2jpe s ILE 99 Ca 0.01 -1.72 -0.05 0.00 0.00 0.00 0.00 60.65 58.89 2jpe s ILE 99 Cb 0.01 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.47 2jpe s ILE 99 CO 0.00 0.11 0.09 0.00 0.00 0.00 0.00 174.94 175.14 2jpe s ARG 100 N -1.98 3.25 0.08 2.79 1.04 -1.26 0.14 118.95 123.02 2jpe s ARG 100 Ca 0.14 -0.25 0.05 0.00 -1.04 0.00 0.00 55.73 54.63 2jpe s ARG 100 Cb -0.10 -3.03 -0.04 0.00 -2.04 0.00 0.00 34.95 29.74 2jpe s ARG 100 CO 0.06 0.74 -0.05 -0.51 -0.04 0.00 0.00 175.30 175.50 2jpe s LEU 101 N -1.04 3.24 0.44 -1.89 1.43 0.70 -4.91 118.68 116.65 2jpe s LEU 101 Ca 0.15 -0.26 -0.21 0.00 -1.03 0.00 0.00 54.13 52.78 2jpe s LEU 101 Cb -0.12 -1.98 -0.11 0.00 0.03 0.00 0.00 46.19 44.01 2jpe s LEU 101 CO 0.04 0.19 0.96 -1.61 0.23 0.00 0.00 176.35 176.17 2jpe s GLU 102 N -2.12 4.17 -0.80 1.70 0.41 -1.25 -4.35 118.70 116.46 2jpe s GLU 102 Ca 0.22 1.17 -0.06 0.00 -0.41 0.00 0.00 54.97 55.89 2jpe s GLU 102 Cb -0.11 -2.18 -0.11 0.00 -1.78 0.00 0.00 34.13 29.94 2jpe s GLU 102 CO 0.15 -0.09 2.61 -0.35 -0.49 0.00 0.00 175.26 177.09 2jpe n PRO 103 N -0.66 2.34 0.00 0.39 -0.04 -1.26 -3.04 135.00 132.74 2jpe n PRO 103 Ca 0.07 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2jpe n PRO 103 Cb 0.54 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.65 2jpe n PRO 103 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 2jpe n HIS 104 N 3.48 0.00 -2.44 0.54 8.25 -0.46 -3.59 115.22 121.00 2jpe n HIS 104 Ca 0.50 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 2jpe n HIS 104 Cb 0.35 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.44 2jpe n HIS 104 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2jpe s LYS 105 N 0.00 4.39 0.66 -0.41 1.02 -1.17 -4.73 119.74 119.51 2jpe s LYS 105 Ca 0.00 1.72 -0.12 0.00 0.02 0.00 0.00 55.97 57.59 2jpe s LYS 105 Cb 0.00 -3.46 -0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2jpe s LYS 105 CO 0.00 -0.35 1.06 -1.25 -0.92 0.00 0.00 175.35 173.89 2jpe s PRO 106 N 1.64 3.07 -0.15 -1.68 0.04 -1.26 -3.95 135.00 132.70 2jpe s PRO 106 Ca 0.57 1.02 -0.04 0.00 0.04 0.00 0.00 61.00 62.59 2jpe s PRO 106 Cb -0.27 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.32 2jpe s PRO 106 CO 0.26 -1.00 0.08 -1.14 0.04 0.00 0.00 177.00 175.24 2jpe s GLN 107 N -4.77 0.09 1.01 4.56 2.00 -1.12 -4.92 119.66 116.51 2jpe s GLN 107 Ca 0.59 -0.04 -0.21 0.00 -2.00 0.00 0.00 55.36 53.71 2jpe s GLN 107 Cb -0.14 -1.67 -0.12 0.00 0.80 0.00 0.00 33.01 31.88 2jpe s GLN 107 CO 0.50 -0.62 -0.89 0.00 -0.50 0.00 0.00 175.29 173.78 2jpe n GLN 108 N 5.26 -0.19 -3.60 1.67 10.64 -1.26 -1.58 117.38 128.33 2jpe n GLN 108 Ca -0.07 -0.05 -0.26 0.00 -1.83 0.00 0.00 57.00 54.79 2jpe n GLN 108 Cb 0.49 -1.16 -0.17 0.00 -0.86 0.00 0.00 30.24 28.55 2jpe n GLN 108 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2jpe s ILE 109 N -2.06 -0.09 0.80 -0.39 -1.09 0.60 -4.67 121.20 114.31 2jpe s ILE 109 Ca 0.42 -0.24 -0.11 0.00 -2.23 0.00 0.00 60.65 58.48 2jpe s ILE 109 Cb -0.07 -0.63 0.07 0.00 -1.58 0.00 0.00 42.46 40.25 2jpe s ILE 109 CO 0.73 -0.34 1.10 -2.16 -1.23 0.00 0.00 174.94 173.04 2jpe s PRO 110 N 2.13 2.06 0.59 2.79 0.04 -1.26 -3.42 135.00 137.93 2jpe s PRO 110 Ca 0.03 0.63 -0.17 0.00 0.04 0.00 0.00 61.00 61.53 2jpe s PRO 110 Cb -0.16 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.43 2jpe s PRO 110 CO -0.13 -1.64 1.11 0.42 0.04 0.00 0.00 177.00 176.80 2jpe s ILE 111 N -3.16 3.30 -1.49 0.56 -1.09 -1.26 -2.50 121.20 115.57 2jpe s ILE 111 Ca 0.61 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.74 2jpe s ILE 111 Cb -0.14 -3.24 0.00 0.00 -1.58 0.00 0.00 42.46 37.50 2jpe s ILE 111 CO 0.54 -0.28 0.00 0.47 -1.23 0.00 0.00 174.94 174.44 2jpe n ASP 112 N -1.79 -3.87 -2.25 3.58 8.00 0.22 -4.91 116.55 115.52 2jpe n ASP 112 Ca 0.11 0.35 -0.01 0.00 0.71 0.00 0.00 54.79 55.94 2jpe n ASP 112 Cb 0.52 -3.52 0.01 0.00 -0.02 0.00 0.00 41.12 38.11 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jpe n SER 113 N -0.63 -0.38 -3.67 -2.24 2.88 -1.04 -4.87 113.62 103.67 2jpe n SER 113 Ca -0.14 -0.84 -0.09 0.00 -1.33 0.00 0.00 58.87 56.47 2jpe n SER 113 Cb 0.48 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 63.80 2jpe n SER 113 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2jpe s THR 114 N -1.11 -0.15 0.06 2.46 2.01 -1.26 -3.62 115.64 114.04 2jpe s THR 114 Ca 0.03 0.07 0.06 0.00 0.31 0.00 0.00 61.69 62.16 2jpe s THR 114 Cb -0.00 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.73 2jpe s THR 114 CO 0.02 0.03 -0.16 0.68 -0.69 0.00 0.00 174.62 174.50 2jpe s VAL 115 N 1.71 1.29 -0.19 3.82 -7.23 -0.89 0.10 120.40 119.01 2jpe s VAL 115 Ca -0.09 -1.21 -0.02 0.00 -1.81 0.00 0.00 61.98 58.85 2jpe s VAL 115 Cb -0.08 -1.18 0.06 0.00 0.56 0.00 0.00 36.38 35.74 2jpe s VAL 115 CO -0.15 -0.04 0.03 -0.94 -0.31 0.00 0.00 175.10 173.68 2jpe s SER 116 N -1.44 2.89 1.11 4.85 1.04 -0.63 -0.70 113.70 120.80 2jpe s SER 116 Ca 0.02 -0.79 -0.08 0.00 0.48 0.00 0.00 55.95 55.58 2jpe s SER 116 Cb -0.09 -0.63 0.12 0.00 0.10 0.00 0.00 66.02 65.51 2jpe s SER 116 CO 0.02 -0.29 0.38 0.49 0.98 0.00 0.00 173.24 174.82 2jpe n PHE 117 N 5.03 -3.17 0.00 5.02 3.01 -1.16 -1.08 117.46 125.12 2jpe n PHE 117 Ca -0.09 -0.34 0.00 0.00 1.01 0.00 0.00 57.45 58.02 2jpe n PHE 117 Cb 0.47 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 2jpe n PHE 117 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jpe n GLY 118 N -0.60 -1.68 0.00 1.37 0.00 0.49 -4.42 105.19 100.35 2jpe n GLY 118 Ca 0.05 0.04 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 2jpe n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpe h ALA 119 N -2.37 -0.60 0.00 4.61 0.00 -1.93 -3.42 119.26 115.55 2jpe h ALA 119 Ca 0.00 -0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.53 2jpe h ALA 119 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.71 2jpe h ALA 119 CO 0.00 -0.60 1.48 -1.13 0.00 0.00 0.00 179.25 179.00 2jpe n SER 120 N -2.04 -0.11 0.00 0.00 3.41 -1.26 -4.65 113.62 108.98 2jpe n SER 120 Ca -0.00 0.00 0.10 0.00 -0.26 0.00 0.00 58.87 58.72 2jpe n SER 120 Cb 0.00 -0.67 0.59 0.00 -0.26 0.00 0.00 64.21 63.87 2jpe n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jpe n THR 121 N 5.69 0.12 -0.67 6.66 -2.24 -1.26 -2.98 114.28 119.61 2jpe n THR 121 Ca 0.54 0.03 -0.23 0.00 -2.27 0.00 0.00 64.05 62.12 2jpe n THR 121 Cb 0.05 -0.70 0.12 0.00 -2.10 0.00 0.00 70.33 67.69 2jpe n THR 121 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jpe n ARG 122 N -1.09 -1.46 -3.12 -0.78 5.12 -1.26 -4.81 116.66 109.26 2jpe n ARG 122 Ca 0.14 -0.43 -0.22 0.00 -1.93 0.00 0.00 57.85 55.41 2jpe n ARG 122 Cb 0.10 -1.38 -0.04 0.00 -1.16 0.00 0.00 32.46 29.98 2jpe n ARG 122 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jpe n ALA 123 N -4.09 2.99 -1.17 7.54 0.00 0.54 -4.21 120.51 122.12 2jpe n ALA 123 Ca 0.03 -3.88 -0.27 0.00 0.00 0.00 0.00 53.44 49.31 2jpe n ALA 123 Cb 0.44 -0.85 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 2jpe n ALA 123 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jpe n TYR 124 N 0.24 0.30 -2.93 0.00 4.02 0.12 -3.92 117.16 114.99 2jpe n TYR 124 Ca 0.27 0.20 -0.44 0.00 -0.01 0.00 0.00 57.90 57.92 2jpe n TYR 124 Cb 0.55 -1.39 -0.03 0.00 -0.02 0.00 0.00 39.34 38.45 2jpe n TYR 124 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jpe s THR 125 N 4.77 4.63 -0.37 -0.72 2.01 -1.09 -2.10 115.64 122.77 2jpe s THR 125 Ca 1.05 -1.17 -0.28 0.00 0.31 0.00 0.00 61.69 61.59 2jpe s THR 125 Cb -0.88 -4.72 -0.02 0.00 0.01 0.00 0.00 72.50 66.89 2jpe s THR 125 CO 0.40 -1.45 1.83 -0.22 -0.69 0.00 0.00 174.62 174.49 2jpe s LEU 126 N 3.06 3.47 0.00 4.42 1.98 -1.24 -3.46 118.68 126.92 2jpe s LEU 126 Ca 0.27 1.17 0.02 0.00 -2.89 0.00 0.00 54.13 52.71 2jpe s LEU 126 Cb -0.10 -3.34 0.05 0.00 0.66 0.00 0.00 46.19 43.45 2jpe s LEU 126 CO -0.02 -1.84 0.36 -1.14 -1.89 0.00 0.00 176.35 171.82 2jpe n ARG 127 N 8.55 0.62 -3.22 1.98 3.00 -1.08 0.73 116.66 127.24 2jpe n ARG 127 Ca 0.23 -1.20 -0.01 0.00 -0.00 0.00 0.00 57.85 56.87 2jpe n ARG 127 Cb 0.48 -0.17 -0.03 0.00 0.00 0.00 0.00 32.46 32.74 2jpe n ARG 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jpe s GLU 128 N -3.24 0.49 -0.84 -0.14 2.12 -1.26 -3.96 118.70 111.87 2jpe s GLU 128 Ca 0.26 0.64 -0.22 0.00 0.36 0.00 0.00 54.97 56.00 2jpe s GLU 128 Cb -0.02 0.11 -0.21 0.00 0.26 0.00 0.00 34.13 34.27 2jpe s GLU 128 CO 0.17 -0.81 2.17 1.63 -0.54 0.00 0.00 175.26 177.88 2jpe n LYS 129 N 5.40 0.00 0.00 4.30 5.02 0.18 -4.84 118.16 128.21 2jpe n LYS 129 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jpe n LYS 129 Cb 0.51 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 2jpe n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2jpe n PRO 130 N 6.61 0.67 -2.42 1.97 -0.04 -1.26 -4.79 135.00 135.73 2jpe n PRO 130 Ca 0.56 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.65 2jpe n PRO 130 Cb 0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.48 2jpe n PRO 130 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2jpe s GLN 131 N -0.67 4.03 0.00 0.54 2.00 -1.26 -5.13 119.66 119.16 2jpe s GLN 131 Ca 0.00 1.64 0.26 0.00 -2.00 0.00 0.00 55.36 55.25 2jpe s GLN 131 Cb 0.00 -2.52 0.53 0.00 0.80 0.00 0.00 33.01 31.81 2jpe s GLN 131 CO 0.00 -0.29 1.45 0.25 -0.50 0.00 0.00 175.29 176.20