#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpe n ALA 2 N 0.00 -1.00 -0.68 3.04 0.00 -1.26 -4.92 120.51 115.69 2jpe n ALA 2 Ca 0.00 0.26 -0.31 0.00 0.00 0.00 0.00 53.44 53.39 2jpe n ALA 2 Cb 0.00 -3.79 0.17 0.00 0.00 0.00 0.00 19.45 15.83 2jpe n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe n ALA 3 N -3.60 -1.68 -3.18 0.00 0.00 -1.26 -4.94 120.51 105.85 2jpe n ALA 3 Ca -0.10 -0.69 -0.32 0.00 0.00 0.00 0.00 53.44 52.33 2jpe n ALA 3 Cb 0.61 -2.04 -0.04 0.00 0.00 0.00 0.00 19.45 17.97 2jpe n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe n ALA 4 N -4.21 4.61 0.23 0.00 0.00 -1.26 -4.78 120.51 115.10 2jpe n ALA 4 Ca 0.09 -4.77 0.12 0.00 0.00 0.00 0.00 53.44 48.88 2jpe n ALA 4 Cb 0.53 -1.37 0.38 0.00 0.00 0.00 0.00 19.45 19.00 2jpe n ALA 4 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2jpe h VAL 5 N 3.14 0.24 -2.11 0.00 -1.51 -2.03 -3.22 116.25 110.77 2jpe h VAL 5 Ca 0.21 -1.03 -0.75 0.00 -1.23 0.00 0.00 66.70 63.90 2jpe h VAL 5 Cb 0.60 1.84 -0.30 0.00 -2.13 0.00 0.00 31.29 31.30 2jpe h VAL 5 CO 1.00 0.12 0.68 -3.20 -1.23 0.00 0.00 177.57 174.93 2jpe n ASN 6 N -3.18 6.82 -3.67 4.19 5.15 -1.26 -4.96 115.26 118.34 2jpe n ASN 6 Ca 0.02 -3.74 -0.21 0.00 -0.60 0.00 0.00 54.58 50.05 2jpe n ASN 6 Cb 0.46 -1.00 -0.08 0.00 -0.53 0.00 0.00 39.78 38.63 2jpe n ASN 6 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2jpe s SER 7 N -1.73 1.86 0.00 1.20 0.15 -1.22 -5.17 113.70 108.80 2jpe s SER 7 Ca 0.45 -1.70 0.00 0.00 0.70 0.00 0.00 55.95 55.41 2jpe s SER 7 Cb 0.30 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2jpe s SER 7 CO -0.23 -1.00 0.00 0.61 1.20 0.00 0.00 173.24 173.82 2jpe n GLY 8 N -0.67 -1.19 3.64 9.45 0.00 -1.26 -5.12 105.19 110.04 2jpe n GLY 8 Ca 0.03 -0.88 -0.58 0.00 0.00 0.00 0.00 46.02 44.60 2jpe n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jpe n SER 9 N 0.02 1.56 -3.61 1.61 7.64 -1.26 -4.91 113.62 114.68 2jpe n SER 9 Ca 0.00 1.12 -0.05 0.00 1.01 0.00 0.00 58.87 60.95 2jpe n SER 9 Cb 0.00 -1.08 -0.03 0.00 -1.01 0.00 0.00 64.21 62.09 2jpe n SER 9 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jpe s SER 10 N 1.85 -0.15 0.84 6.43 1.04 -1.26 -5.16 113.70 117.29 2jpe s SER 10 Ca 0.94 0.09 -0.13 0.00 0.48 0.00 0.00 55.95 57.32 2jpe s SER 10 Cb -1.13 0.14 0.05 0.00 0.10 0.00 0.00 66.02 65.18 2jpe s SER 10 CO 0.60 -0.19 0.86 0.18 0.98 0.00 0.00 173.24 175.67 2jpe n LEU 11 N 0.27 2.41 0.00 2.42 7.99 -1.26 -5.01 117.00 123.82 2jpe n LEU 11 Ca -0.02 0.51 0.00 0.00 -0.01 0.00 0.00 56.01 56.49 2jpe n LEU 11 Cb 0.58 -1.37 0.00 0.00 -0.11 0.00 0.00 43.42 42.52 2jpe n LEU 11 CO 0.10 -2.52 0.00 -0.81 -1.51 0.00 0.00 177.39 172.65 2jpe n PRO 12 N -2.44 0.76 -0.00 3.23 -0.04 -1.26 -5.01 135.00 130.24 2jpe n PRO 12 Ca 0.11 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2jpe n PRO 12 Cb 0.51 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.24 -3.58 1.53 -0.00 -1.26 -5.04 117.00 108.89 2jpe n LEU 13 Ca 0.00 -0.39 -0.09 0.00 -0.00 0.00 0.00 56.01 55.53 2jpe n LEU 13 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.38 2jpe n LEU 13 CO 0.00 0.06 0.83 0.12 -0.00 0.00 0.00 177.39 178.40 2jpe s PHE 14 N -1.79 -0.31 -0.34 1.47 5.36 -1.26 -4.97 117.98 116.14 2jpe s PHE 14 Ca 0.01 0.48 -0.16 0.00 -0.96 0.00 0.00 56.93 56.30 2jpe s PHE 14 Cb 0.05 0.47 -0.01 0.00 -0.34 0.00 0.00 43.02 43.19 2jpe s PHE 14 CO 0.27 -0.32 0.42 0.16 -1.46 0.00 0.00 175.22 174.29 2jpe s ASP 15 N -1.31 6.23 0.07 6.13 -4.77 -1.26 -5.06 116.67 116.72 2jpe s ASP 15 Ca 0.01 -0.13 -0.22 0.00 -3.30 0.00 0.00 52.55 48.91 2jpe s ASP 15 Cb -0.01 -2.22 -0.07 0.00 -1.09 0.00 0.00 42.92 39.53 2jpe s ASP 15 CO -0.01 -0.38 0.65 0.00 0.70 0.00 0.00 175.17 176.13 2jpe n PRO 17 N 2.06 0.69 0.00 0.00 -0.04 -1.26 -5.01 135.00 131.43 2jpe n PRO 17 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2jpe n PRO 17 Cb 0.50 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.96 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 -0.67 0.12 1.07 0.52 5.66 -1.26 -4.50 114.28 115.22 2jpe n THR 18 Ca 0.00 -0.53 0.12 0.00 -3.05 0.00 0.00 64.05 60.58 2jpe n THR 18 Cb 0.00 0.99 0.11 0.00 -1.55 0.00 0.00 70.33 69.88 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 -0.06 0.00 -2.48 1.09 4.27 -1.26 -4.92 117.44 114.08 2jpe n TRP 19 Ca 0.00 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.23 2jpe n TRP 19 Cb 0.05 -0.06 -0.04 0.00 -1.36 0.00 0.00 31.31 29.90 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 -2.63 3.17 0.00 -1.67 0.00 -1.26 -0.55 121.76 118.83 2jpe s ALA 20 Ca 0.18 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.93 2jpe s ALA 20 Cb 0.18 -3.30 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2jpe s ALA 20 CO 0.62 -0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.53 2jpe n GLY 21 N 0.61 3.39 2.85 0.00 0.00 -1.10 -4.79 105.19 106.14 2jpe n GLY 21 Ca 0.03 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2jpe n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jpe s LYS 22 N 2.82 0.10 0.37 1.61 2.36 -1.26 -4.40 119.74 121.34 2jpe s LYS 22 Ca 0.00 0.49 -0.25 0.00 -2.55 0.00 0.00 55.97 53.66 2jpe s LYS 22 Cb 0.00 -0.50 -0.09 0.00 -1.05 0.00 0.00 37.83 36.18 2jpe s LYS 22 CO 0.00 -0.40 1.06 -1.25 1.55 0.00 0.00 175.35 176.31 2jpe s PRO 23 N 2.33 4.28 0.70 4.03 0.04 -1.26 -5.04 135.00 140.08 2jpe s PRO 23 Ca 0.04 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 2jpe s PRO 23 Cb -0.13 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.71 2jpe s PRO 23 CO -0.08 -0.05 1.06 -1.25 0.04 0.00 0.00 177.00 176.72 2jpe s PRO 24 N -2.22 2.92 -1.12 0.56 0.04 -1.26 -4.64 135.00 129.27 2jpe s PRO 24 Ca 0.54 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.34 2jpe s PRO 24 Cb -0.25 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2jpe s PRO 24 CO 0.31 -1.11 2.02 -0.35 0.04 0.00 0.00 177.00 177.91 2jpe n PRO 25 N -3.14 2.19 -0.75 0.56 -0.04 -1.26 -3.65 135.00 128.91 2jpe n PRO 25 Ca 0.07 -2.34 -0.03 0.00 -0.04 0.00 0.00 63.50 61.17 2jpe n PRO 25 Cb 0.54 -3.20 -0.03 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 4.58 -0.02 3.31 0.55 0.00 -1.26 -5.05 105.19 107.29 2jpe n GLY 26 Ca 0.50 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.03 2.44 -0.28 0.99 1.43 -1.24 -0.09 118.68 121.91 2jpe s LEU 27 Ca 0.00 -1.09 -0.27 0.00 -1.03 0.00 0.00 54.13 51.74 2jpe s LEU 27 Cb 0.00 -0.43 0.18 0.00 0.03 0.00 0.00 46.19 45.97 2jpe s LEU 27 CO -0.00 -0.35 1.32 -1.38 0.23 0.00 0.00 176.35 176.17 2jpe s HIS 28 N -3.24 -0.14 0.57 0.29 -3.43 -1.25 -3.94 115.29 104.15 2jpe s HIS 28 Ca 0.23 0.30 -0.05 0.00 -0.80 0.00 0.00 55.06 54.73 2jpe s HIS 28 Cb 0.03 0.47 0.12 0.00 -1.43 0.00 0.00 32.58 31.77 2jpe s HIS 28 CO 0.05 -0.09 0.77 1.28 -2.00 0.00 0.00 174.74 174.76 2jpe n LEU 29 N 1.23 0.00 -3.58 5.38 4.77 0.53 -2.47 117.00 122.86 2jpe n LEU 29 Ca -0.07 -1.20 -0.07 0.00 -0.03 0.00 0.00 56.01 54.63 2jpe n LEU 29 Cb 0.57 -0.55 -0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2jpe n LEU 29 CO 0.05 -0.97 0.70 -1.81 -1.33 0.00 0.00 177.39 174.02 2jpe s ASP 30 N -3.97 -0.31 0.02 -1.43 1.11 -1.17 -2.34 116.67 108.58 2jpe s ASP 30 Ca 0.47 -0.12 0.03 0.00 0.18 0.00 0.00 52.55 53.11 2jpe s ASP 30 Cb -0.02 0.42 -0.02 0.00 1.07 0.00 0.00 42.92 44.37 2jpe s ASP 30 CO 0.32 -0.71 -0.09 -0.69 1.18 0.00 0.00 175.17 175.19 2jpe s VAL 31 N -3.17 0.66 -0.05 -1.27 1.01 -0.53 -2.21 120.40 114.83 2jpe s VAL 31 Ca 0.07 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2jpe s VAL 31 Cb -0.01 -0.63 0.04 0.00 0.00 0.00 0.00 36.38 35.78 2jpe s VAL 31 CO -0.06 -0.09 0.11 -0.69 0.00 0.00 0.00 175.10 174.37 2jpe s VAL 32 N -0.77 -0.06 -0.39 2.92 1.01 -1.24 0.13 120.40 122.00 2jpe s VAL 32 Ca -0.02 0.20 0.26 0.00 0.00 0.00 0.00 61.98 62.42 2jpe s VAL 32 Cb -0.07 -0.19 0.29 0.00 0.00 0.00 0.00 36.38 36.42 2jpe s VAL 32 CO 0.00 0.08 1.78 0.07 0.00 0.00 0.00 175.10 177.03 2jpe h LYS 33 N 7.29 0.00 0.00 2.72 5.09 -1.73 0.96 116.57 130.90 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 0.43 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.20 2jpe n GLY 34 N 0.31 0.06 0.69 0.07 0.00 -1.26 -4.77 105.19 100.29 2jpe n GLY 34 Ca 0.02 0.22 0.02 0.00 0.00 0.00 0.00 46.02 46.29 2jpe n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2jpe n ASP 35 N 0.00 0.51 -3.71 1.61 4.64 -1.26 -5.01 116.55 113.32 2jpe n ASP 35 Ca 0.00 -2.17 -0.12 0.00 -1.38 0.00 0.00 54.79 51.12 2jpe n ASP 35 Cb 0.00 -0.26 -0.13 0.00 -1.04 0.00 0.00 41.12 39.70 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2jpe s LYS 36 N -0.38 0.21 -0.06 -0.67 2.20 -1.26 -5.12 119.74 114.66 2jpe s LYS 36 Ca 0.12 0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 56.02 2jpe s LYS 36 Cb 0.13 -0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.29 2jpe s LYS 36 CO -0.04 -0.18 1.63 -1.17 -0.36 0.00 0.00 175.35 175.23 2jpe s LEU 37 N 1.46 4.31 0.00 5.43 1.98 -1.26 -1.92 118.68 128.68 2jpe s LEU 37 Ca -0.08 2.20 0.00 0.00 -2.89 0.00 0.00 54.13 53.36 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 -0.09 -0.91 0.00 -0.38 -1.89 0.00 0.00 176.35 173.08 2jpe n ILE 38 N 5.47 0.00 -4.27 6.68 2.08 0.12 -4.94 119.36 124.51 2jpe n ILE 38 Ca 0.17 0.30 -0.15 0.00 0.56 0.00 0.00 62.75 63.63 2jpe n ILE 38 Cb 0.43 -0.90 -0.05 0.00 -0.75 0.00 0.00 39.64 38.37 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 -1.40 0.51 -4.14 0.38 0.28 -1.24 -4.99 120.64 110.04 2jpe n GLU 39 Ca 0.00 -2.24 -0.13 0.00 -0.16 0.00 0.00 57.16 54.63 2jpe n GLU 39 Cb 0.00 1.49 -0.11 0.00 1.43 0.00 0.00 31.44 34.25 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 -2.97 0.74 0.14 3.44 2.20 -1.26 -1.45 119.74 120.58 2jpe s LYS 40 Ca 0.19 -1.07 -0.05 0.00 -0.36 0.00 0.00 55.97 54.68 2jpe s LYS 40 Cb 0.01 -0.37 -0.02 0.00 -1.51 0.00 0.00 37.83 35.93 2jpe s LYS 40 CO 0.14 0.05 0.16 -0.51 -0.36 0.00 0.00 175.35 174.82 2jpe s LEU 41 N -2.31 1.44 0.07 5.43 1.43 -0.99 -4.91 118.68 118.85 2jpe s LEU 41 Ca 0.02 -1.03 0.05 0.00 -1.03 0.00 0.00 54.13 52.13 2jpe s LEU 41 Cb -0.03 0.70 -0.04 0.00 0.03 0.00 0.00 46.19 46.86 2jpe s LEU 41 CO -0.01 -0.79 -0.04 -0.63 0.23 0.00 0.00 176.35 175.11 2jpe s ILE 42 N -4.00 3.81 0.00 -0.59 1.09 -1.26 0.20 121.20 120.44 2jpe s ILE 42 Ca 0.20 -0.99 0.00 0.00 -1.10 0.00 0.00 60.65 58.76 2jpe s ILE 42 Cb 0.06 -2.77 0.00 0.00 -1.06 0.00 0.00 42.46 38.68 2jpe s ILE 42 CO 0.00 0.18 0.67 2.30 -0.10 0.00 0.00 174.94 177.99 2jpe n ILE 43 N 0.83 0.00 -1.93 2.92 -6.64 -1.26 -4.59 119.36 108.69 2jpe n ILE 43 Ca -0.12 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.51 2jpe n ILE 43 Cb 0.52 0.76 0.04 0.00 -1.44 0.00 0.00 39.64 39.51 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 0.00 6.69 0.00 7.28 5.75 -1.25 -4.41 116.55 130.60 2jpe n ASP 44 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.99 2jpe n ASP 44 Cb 0.57 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.82 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jpe n GLU 45 N -0.62 0.00 -2.30 0.11 1.02 -1.26 -4.62 120.64 112.97 2jpe n GLU 45 Ca 0.52 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.59 2jpe n GLU 45 Cb 0.49 -0.32 -0.01 0.00 -0.02 0.00 0.00 31.44 31.58 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 -2.44 1.50 0.00 3.49 -0.00 -1.26 -4.91 118.16 114.55 2jpe n LYS 46 Ca 0.00 -0.81 0.01 0.00 -0.00 0.00 0.00 58.31 57.51 2jpe n LYS 46 Cb 0.17 0.15 -0.00 0.00 -0.00 0.00 0.00 35.03 35.35 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 -0.56 3.03 -3.63 -1.58 0.00 -1.26 -4.13 118.16 110.03 2jpe n LYS 47 Ca -0.03 -0.31 -0.04 0.00 -0.00 0.00 0.00 58.31 57.93 2jpe n LYS 47 Cb 0.14 -0.82 -0.06 0.00 -0.00 0.00 0.00 35.03 34.30 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 -0.79 -1.15 0.01 5.58 -0.85 -1.26 -0.03 117.35 118.86 2jpe s TYR 48 Ca 0.02 2.13 0.00 0.00 -0.52 0.00 0.00 57.07 58.70 2jpe s TYR 48 Cb 0.02 0.69 0.00 0.00 0.38 0.00 0.00 41.96 43.05 2jpe s TYR 48 CO 0.08 -0.57 0.00 0.66 -1.52 0.00 0.00 175.55 174.20 2jpe n TYR 49 N 4.81 -0.15 -4.48 -3.49 4.01 0.74 -4.93 117.16 113.66 2jpe n TYR 49 Ca -0.16 -0.05 -0.24 0.00 -0.16 0.00 0.00 57.90 57.30 2jpe n TYR 49 Cb 0.54 -0.01 -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 2.01 -0.30 7.72 1.02 -1.26 -1.67 118.68 126.20 2jpe s LEU 50 Ca 0.00 -1.57 -0.06 0.00 0.02 0.00 0.00 54.13 52.52 2jpe s LEU 50 Cb -0.00 -0.17 0.18 0.00 0.02 0.00 0.00 46.19 46.23 2jpe s LEU 50 CO 0.00 -0.83 0.78 -0.36 0.02 0.00 0.00 176.35 175.96 2jpe s PHE 51 N -3.28 -1.18 0.00 0.29 0.08 0.15 -4.12 117.98 109.91 2jpe s PHE 51 Ca 0.28 1.31 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2jpe s PHE 51 Cb 0.05 0.43 0.00 0.00 -0.57 0.00 0.00 43.02 42.93 2jpe s PHE 51 CO 0.15 -0.64 0.00 0.41 -0.10 0.00 0.00 175.22 175.03 2jpe n GLY 52 N 5.43 -0.30 0.47 4.36 0.00 -1.24 0.65 105.19 114.56 2jpe n GLY 52 Ca -0.04 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.63 1.61 1.74 -0.95 0.06 116.66 116.48 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 -0.05 -0.02 0.00 -1.02 0.00 0.00 32.46 31.36 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 -1.56 6.71 0.47 0.55 3.04 -1.23 -4.78 114.94 118.14 2jpe s ASN 54 Ca 0.00 0.61 0.27 0.00 0.04 0.00 0.00 52.86 53.77 2jpe s ASN 54 Cb 0.00 -2.54 0.80 0.00 -1.54 0.00 0.00 41.25 37.97 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 8.89 0.00 0.00 0.43 0.13 -1.78 0.73 132.00 140.39 2jpe h PRO 55 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jpe h PRO 55 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jpe h PRO 55 CO 1.09 0.07 0.03 0.22 -0.23 0.00 0.00 178.00 179.19 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.58 -1.94 -3.15 116.42 116.35 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpe h ASP 56 Cb 0.81 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.86 2jpe h ASP 56 CO 0.01 0.00 -0.83 0.18 -2.88 0.00 0.00 179.24 175.72 2jpe n LEU 57 N -2.47 0.51 -4.94 2.28 4.77 -1.10 -5.07 117.00 110.98 2jpe n LEU 57 Ca -0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 2jpe n LEU 57 Cb 0.07 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 2jpe n LEU 57 CO 0.12 0.02 0.34 0.00 -1.33 0.00 0.00 177.39 176.54 2jpe n ASP 59 N -2.18 1.11 -1.97 0.00 2.03 -1.26 -4.08 116.55 110.20 2jpe n ASP 59 Ca 0.02 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2jpe n ASP 59 Cb 0.57 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jpe n PHE 60 N -3.12 -2.05 -3.66 -0.67 3.01 -1.26 -4.97 117.46 104.75 2jpe n PHE 60 Ca -0.24 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.15 2jpe n PHE 60 Cb 1.06 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.45 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 0.41 -0.64 0.29 4.37 -4.23 -1.26 -4.45 115.64 110.13 2jpe s THR 61 Ca 0.00 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.70 2jpe s THR 61 Cb 0.00 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.10 2jpe s THR 61 CO 0.00 0.05 1.67 0.40 -0.54 0.00 0.00 174.62 176.20 2jpe h ILE 62 N 6.01 1.35 -5.25 2.99 2.04 -0.69 -3.47 117.51 120.49 2jpe h ILE 62 Ca -0.19 -1.72 -0.04 0.00 1.00 0.00 0.00 64.86 63.91 2jpe h ILE 62 Cb 1.12 1.86 0.03 0.00 -0.74 0.00 0.00 36.82 39.09 2jpe h ILE 62 CO 0.13 0.50 -0.14 -0.67 0.00 0.00 0.00 178.15 177.98 2jpe n ASP 63 N -3.95 -7.29 -0.11 1.72 -0.08 -1.25 -5.02 116.55 100.57 2jpe n ASP 63 Ca -0.02 -0.17 0.00 0.00 -1.51 0.00 0.00 54.79 53.09 2jpe n ASP 63 Cb 0.53 -5.05 0.00 0.00 2.34 0.00 0.00 41.12 38.94 2jpe n ASP 63 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 2jpe n HIS 64 N -1.97 -0.02 0.00 -0.67 -0.00 -1.26 -5.05 115.22 106.25 2jpe n HIS 64 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2jpe n HIS 64 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2jpe n HIS 64 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jpe n GLN 65 N 0.00 0.96 0.09 1.57 10.64 -1.26 -4.76 117.38 124.62 2jpe n GLN 65 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 2jpe n GLN 65 Cb 0.00 -0.94 -0.13 0.00 -0.86 0.00 0.00 30.24 28.31 2jpe n GLN 65 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 2jpe h SER 66 N 0.00 0.87 -1.66 2.61 0.02 -1.98 -3.46 113.55 109.95 2jpe h SER 66 Ca 0.00 -0.83 -0.47 0.00 -0.84 0.00 0.00 61.79 59.65 2jpe h SER 66 Cb 0.87 -0.27 0.25 0.00 0.14 0.00 0.00 62.40 63.39 2jpe h SER 66 CO 0.00 1.61 -1.90 0.00 -1.14 0.00 0.00 176.83 175.40 2jpe s SER 68 N -1.43 2.00 0.22 0.00 0.15 -1.26 -4.98 113.70 108.40 2jpe s SER 68 Ca 0.46 -1.12 -0.09 0.00 0.70 0.00 0.00 55.95 55.90 2jpe s SER 68 Cb -0.01 -0.03 0.33 0.00 -1.71 0.00 0.00 66.02 64.60 2jpe s SER 68 CO 0.66 -0.40 1.29 0.54 1.20 0.00 0.00 173.24 176.53 2jpe n ARG 69 N -0.36 -0.11 -3.18 5.44 3.00 -1.26 -1.27 116.66 118.92 2jpe n ARG 69 Ca -0.07 1.29 -0.25 0.00 -0.01 0.00 0.00 57.85 58.80 2jpe n ARG 69 Cb 0.62 -1.92 -0.06 0.00 0.00 0.00 0.00 32.46 31.11 2jpe n ARG 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jpe n VAL 70 N -5.31 1.78 -0.26 1.55 0.31 -1.26 -2.25 118.33 112.89 2jpe n VAL 70 Ca 0.12 -5.08 0.02 0.00 -0.01 0.00 0.00 64.34 59.39 2jpe n VAL 70 Cb 0.39 -1.55 0.09 0.00 -0.91 0.00 0.00 33.84 31.86 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 3.55 -0.36 -2.19 3.52 2.76 0.79 -3.43 115.15 119.80 2jpe h HIS 71 Ca 0.14 0.07 -0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.68 0.27 0.00 0.00 1.55 0.00 0.00 27.41 29.92 2jpe h HIS 71 CO 0.67 -0.31 0.06 0.00 -1.30 0.00 0.00 177.93 177.05 2jpe n ALA 72 N -3.20 -0.38 -3.29 5.26 0.00 0.21 -3.00 120.51 116.11 2jpe n ALA 72 Ca 0.10 -0.26 -0.14 0.00 0.00 0.00 0.00 53.44 53.14 2jpe n ALA 72 Cb 0.39 0.21 -0.08 0.00 0.00 0.00 0.00 19.45 19.96 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 -1.22 -0.95 0.12 0.00 0.00 -0.91 0.30 121.76 119.10 2jpe s ALA 73 Ca 0.03 0.57 0.02 0.00 0.00 0.00 0.00 51.96 52.59 2jpe s ALA 73 Cb -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 2jpe s ALA 73 CO 0.02 -0.27 0.24 -1.17 0.00 0.00 0.00 175.76 174.59 2jpe s LEU 74 N -1.10 4.27 -0.13 0.00 0.20 -0.67 -0.67 118.68 120.57 2jpe s LEU 74 Ca -0.11 0.16 -0.06 0.00 0.69 0.00 0.00 54.13 54.81 2jpe s LEU 74 Cb -0.04 -2.85 0.06 0.00 -0.43 0.00 0.00 46.19 42.93 2jpe s LEU 74 CO 0.05 0.09 0.30 -0.69 -0.29 0.00 0.00 176.35 175.80 2jpe s VAL 75 N -1.67 -0.24 -0.40 1.68 1.01 -0.12 -0.18 120.40 120.48 2jpe s VAL 75 Ca 0.34 0.19 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 2jpe s VAL 75 Cb -0.11 -0.47 0.01 0.00 0.00 0.00 0.00 36.38 35.81 2jpe s VAL 75 CO 0.28 0.08 0.69 -0.47 0.00 0.00 0.00 175.10 175.67 2jpe s TYR 76 N 1.87 3.09 0.77 5.22 5.04 0.96 0.90 117.35 135.19 2jpe s TYR 76 Ca -0.05 0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.69 2jpe s TYR 76 Cb -0.11 -3.34 0.06 0.00 0.35 0.00 0.00 41.96 38.93 2jpe s TYR 76 CO -0.10 -0.78 1.16 -1.58 -1.34 0.00 0.00 175.55 172.91 2jpe s HIS 77 N 2.91 2.13 -0.06 4.97 2.46 0.33 -2.71 115.29 125.33 2jpe s HIS 77 Ca 0.26 1.63 -0.00 0.00 0.47 0.00 0.00 55.06 57.42 2jpe s HIS 77 Cb -0.14 -3.32 -0.03 0.00 -0.13 0.00 0.00 32.58 28.96 2jpe s HIS 77 CO 0.18 -2.36 -0.06 0.36 -2.47 0.00 0.00 174.74 170.39 2jpe n LYS 78 N -3.18 0.13 0.02 2.88 2.85 0.29 -3.21 118.16 117.95 2jpe n LYS 78 Ca 0.12 0.04 0.11 0.00 -1.05 0.00 0.00 58.31 57.52 2jpe n LYS 78 Cb 0.51 -1.00 0.45 0.00 -0.65 0.00 0.00 35.03 34.34 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 -2.82 0.15 -0.01 5.58 8.25 -1.26 -3.09 115.22 122.01 2jpe n HIS 79 Ca -0.10 0.05 -0.01 0.00 -0.26 0.00 0.00 57.72 57.40 2jpe n HIS 79 Cb 0.60 -0.58 -0.03 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 -1.63 0.00 -1.82 2.41 4.77 -1.26 -5.02 117.00 114.45 2jpe n LEU 80 Ca 0.05 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2jpe n LEU 80 Cb 0.26 0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.45 2jpe n LEU 80 CO 0.21 0.07 0.04 0.29 -1.33 0.00 0.00 177.39 176.66 2jpe n LYS 81 N -2.06 -3.03 -1.00 3.23 4.01 -1.18 -5.01 118.16 113.12 2jpe n LYS 81 Ca -0.05 0.47 0.00 0.00 -0.51 0.00 0.00 58.31 58.22 2jpe n LYS 81 Cb 0.54 -4.40 0.00 0.00 -0.51 0.00 0.00 35.03 30.65 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 -2.58 1.32 -4.57 1.97 1.74 -1.22 -4.93 116.66 108.38 2jpe n ARG 82 Ca -0.04 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.77 2jpe n ARG 82 Cb 0.56 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.89 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 -0.84 2.15 0.04 1.55 1.01 -1.22 0.12 120.40 123.21 2jpe s VAL 83 Ca 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 61.98 59.75 2jpe s VAL 83 Cb 0.00 -2.77 0.01 0.00 0.00 0.00 0.00 36.38 33.62 2jpe s VAL 83 CO 0.00 -0.13 0.21 -0.36 0.00 0.00 0.00 175.10 174.82 2jpe s PHE 84 N -2.65 0.03 -0.25 5.22 0.40 0.26 0.21 117.98 121.20 2jpe s PHE 84 Ca 0.33 -0.23 0.01 0.00 -0.60 0.00 0.00 56.93 56.44 2jpe s PHE 84 Cb 0.05 -0.01 0.07 0.00 0.51 0.00 0.00 43.02 43.64 2jpe s PHE 84 CO 0.17 -0.44 -0.02 -1.17 0.70 0.00 0.00 175.22 174.46 2jpe s LEU 85 N -2.09 2.63 -0.48 -0.37 2.96 -0.46 -0.94 118.68 119.93 2jpe s LEU 85 Ca -0.05 -1.30 -0.20 0.00 -0.22 0.00 0.00 54.13 52.35 2jpe s LEU 85 Cb -0.01 -1.14 0.04 0.00 0.50 0.00 0.00 46.19 45.58 2jpe s LEU 85 CO -0.04 -0.28 0.66 -0.63 -1.32 0.00 0.00 176.35 174.75 2jpe s ILE 86 N 1.41 4.80 -1.08 6.68 1.01 0.15 -2.54 121.20 131.64 2jpe s ILE 86 Ca -0.02 -0.13 -0.24 0.00 0.00 0.00 0.00 60.65 60.26 2jpe s ILE 86 Cb -0.19 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 37.92 2jpe s ILE 86 CO -0.09 -0.74 1.96 -1.81 0.00 0.00 0.00 174.94 174.27 2jpe s ASP 87 N 2.37 4.92 -0.99 3.58 -0.00 -1.25 -2.13 116.67 123.17 2jpe s ASP 87 Ca 0.20 -1.28 -0.26 0.00 -0.00 0.00 0.00 52.55 51.21 2jpe s ASP 87 Cb -0.16 -2.58 -0.21 0.00 -0.00 0.00 0.00 42.92 39.97 2jpe s ASP 87 CO 0.16 -3.12 2.17 0.18 -0.00 0.00 0.00 175.17 174.56 2jpe n LEU 88 N 14.76 1.37 -4.12 1.23 4.77 -1.16 -2.35 117.00 131.49 2jpe n LEU 88 Ca 0.43 -2.21 -0.28 0.00 -0.03 0.00 0.00 56.01 53.92 2jpe n LEU 88 Cb 0.47 -1.69 -0.09 0.00 -2.33 0.00 0.00 43.42 39.77 2jpe n LEU 88 CO 0.64 -3.39 -0.41 0.59 -1.33 0.00 0.00 177.39 173.49 2jpe n ASN 89 N 19.43 0.73 -4.65 -1.43 3.02 -1.22 -4.61 115.26 126.53 2jpe n ASN 89 Ca 0.42 -1.13 -0.44 0.00 -0.03 0.00 0.00 54.58 53.39 2jpe n ASN 89 Cb 0.46 -1.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.20 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jpe n SER 90 N -2.51 2.27 -0.33 6.41 2.88 -1.23 -4.81 113.62 116.29 2jpe n SER 90 Ca -0.27 1.17 0.12 0.00 -1.33 0.00 0.00 58.87 58.56 2jpe n SER 90 Cb 0.61 -1.39 0.24 0.00 -0.75 0.00 0.00 64.21 62.92 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 0.96 -0.40 -0.04 2.46 5.66 -1.26 -3.35 114.28 118.31 2jpe n THR 91 Ca 0.09 2.11 -0.10 0.00 -3.05 0.00 0.00 64.05 63.10 2jpe n THR 91 Cb 0.32 -3.03 -0.03 0.00 -1.55 0.00 0.00 70.33 66.04 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 -5.45 0.00 0.00 1.09 8.25 -1.26 -5.09 115.22 112.76 2jpe n HIS 92 Ca 0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 2jpe n HIS 92 Cb 0.66 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 2.38 2.92 3.65 -1.41 0.00 -1.21 -4.97 105.19 106.54 2jpe n GLY 93 Ca -0.18 -1.54 -0.25 0.00 0.00 0.00 0.00 46.02 44.06 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 3.55 0.09 2.61 2.01 -1.26 0.80 115.64 121.43 2jpe s THR 94 Ca 0.00 -1.69 0.01 0.00 0.31 0.00 0.00 61.69 60.32 2jpe s THR 94 Cb 0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 72.50 69.63 2jpe s THR 94 CO 0.00 -0.24 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.29 2jpe s PHE 95 N -2.02 0.80 -0.57 4.92 0.40 -0.60 -0.14 117.98 120.77 2jpe s PHE 95 Ca 0.29 -1.00 0.02 0.00 -0.60 0.00 0.00 56.93 55.64 2jpe s PHE 95 Cb -0.08 -0.49 0.42 0.00 0.51 0.00 0.00 43.02 43.39 2jpe s PHE 95 CO 0.19 -0.26 1.63 -0.11 0.70 0.00 0.00 175.22 177.37 2jpe n LEU 96 N -0.02 6.34 0.00 -0.37 7.94 0.21 -1.59 117.00 129.52 2jpe n LEU 96 Ca -0.12 -4.73 0.00 0.00 -1.11 0.00 0.00 56.01 50.05 2jpe n LEU 96 Cb 0.61 -0.73 0.00 0.00 0.53 0.00 0.00 43.42 43.83 2jpe n LEU 96 CO 0.30 1.86 0.00 0.61 -1.11 0.00 0.00 177.39 179.05 2jpe n GLY 97 N -0.69 2.37 0.00 -3.96 0.00 0.15 -4.06 105.19 99.01 2jpe n GLY 97 Ca 0.51 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -4.40 1.61 1.44 -1.26 -4.89 115.22 107.72 2jpe n HIS 98 Ca 0.00 -0.10 -0.20 0.00 -2.01 0.00 0.00 57.72 55.41 2jpe n HIS 98 Cb 0.00 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.00 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 -0.20 1.67 0.14 0.61 1.01 -1.26 -5.16 121.20 118.00 2jpe s ILE 99 Ca 0.00 -2.15 0.10 0.00 0.00 0.00 0.00 60.65 58.59 2jpe s ILE 99 Cb 0.00 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.11 2jpe s ILE 99 CO 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 174.94 174.31 2jpe s ARG 100 N -3.70 1.31 0.25 2.79 1.04 -1.26 0.65 118.95 120.02 2jpe s ARG 100 Ca 0.27 -1.32 0.11 0.00 -1.04 0.00 0.00 55.73 53.75 2jpe s ARG 100 Cb 0.02 -1.64 -0.05 0.00 -2.04 0.00 0.00 34.95 31.24 2jpe s ARG 100 CO 0.10 0.38 -0.13 -0.51 -0.04 0.00 0.00 175.30 175.10 2jpe s LEU 101 N -2.19 2.81 0.51 -1.89 1.43 0.80 -4.89 118.68 115.26 2jpe s LEU 101 Ca 0.13 -0.83 -0.12 0.00 -1.03 0.00 0.00 54.13 52.28 2jpe s LEU 101 Cb -0.09 -1.37 -0.06 0.00 0.03 0.00 0.00 46.19 44.70 2jpe s LEU 101 CO 0.06 0.05 0.91 -1.61 0.23 0.00 0.00 176.35 175.99 2jpe s GLU 102 N -3.35 3.75 -0.11 1.70 2.02 -1.24 -4.27 118.70 117.20 2jpe s GLU 102 Ca 0.28 0.66 -0.05 0.00 0.02 0.00 0.00 54.97 55.89 2jpe s GLU 102 Cb -0.06 -2.22 -0.19 0.00 0.10 0.00 0.00 34.13 31.75 2jpe s GLU 102 CO 0.16 -0.28 2.82 -0.35 0.02 0.00 0.00 175.26 177.62 2jpe n PRO 103 N -1.92 1.62 0.00 0.39 -0.04 -1.25 -3.03 135.00 130.76 2jpe n PRO 103 Ca 0.04 -0.84 0.00 0.00 -0.04 0.00 0.00 63.50 62.66 2jpe n PRO 103 Cb 0.54 -1.94 0.00 0.00 -0.04 0.00 0.00 33.50 32.06 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 2.74 0.00 -2.47 0.54 8.25 -0.99 -3.44 115.22 119.85 2jpe n HIS 104 Ca 0.35 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.38 2jpe n HIS 104 Cb 0.64 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 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 4.35 0.63 -0.41 1.02 -1.17 -4.75 119.74 119.41 2jpe s LYS 105 Ca 0.00 1.66 -0.14 0.00 0.02 0.00 0.00 55.97 57.51 2jpe s LYS 105 Cb 0.00 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2jpe s LYS 105 CO 0.00 -0.45 1.05 -1.25 -0.92 0.00 0.00 175.35 173.78 2jpe s PRO 106 N 2.25 3.21 -0.17 -1.68 0.04 -1.26 -3.68 135.00 133.71 2jpe s PRO 106 Ca 0.55 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 2jpe s PRO 106 Cb -0.24 -2.02 0.06 0.00 0.04 0.00 0.00 34.50 32.33 2jpe s PRO 106 CO 0.21 -0.89 0.05 -1.14 0.04 0.00 0.00 177.00 175.28 2jpe s GLN 107 N -4.46 0.46 1.01 4.56 2.00 -1.05 -4.91 119.66 117.27 2jpe s GLN 107 Ca 0.61 -0.26 -0.21 0.00 -2.00 0.00 0.00 55.36 53.50 2jpe s GLN 107 Cb -0.15 -1.91 -0.12 0.00 0.80 0.00 0.00 33.01 31.64 2jpe s GLN 107 CO 0.44 -0.62 -0.88 0.00 -0.50 0.00 0.00 175.29 173.73 2jpe n GLN 108 N 5.13 -0.22 -3.57 1.67 10.64 -1.26 -1.36 117.38 128.41 2jpe n GLN 108 Ca -0.08 -0.06 -0.24 0.00 -1.83 0.00 0.00 57.00 54.79 2jpe n GLN 108 Cb 0.48 -1.17 -0.16 0.00 -0.86 0.00 0.00 30.24 28.53 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 -2.07 -0.15 0.86 -0.39 -1.09 0.58 -4.65 121.20 114.29 2jpe s ILE 109 Ca 0.42 -0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.50 2jpe s ILE 109 Cb -0.06 -0.65 0.11 0.00 -1.58 0.00 0.00 42.46 40.28 2jpe s ILE 109 CO 0.73 -0.32 1.12 -2.16 -1.23 0.00 0.00 174.94 173.08 2jpe s PRO 110 N 2.18 1.59 0.55 2.79 0.04 -1.26 -3.39 135.00 137.50 2jpe s PRO 110 Ca 0.04 0.46 -0.18 0.00 0.04 0.00 0.00 61.00 61.35 2jpe s PRO 110 Cb -0.16 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2jpe s PRO 110 CO -0.13 -1.93 1.09 0.42 0.04 0.00 0.00 177.00 176.50 2jpe s ILE 111 N -3.22 3.42 -1.48 0.56 -1.09 -1.26 -2.55 121.20 115.58 2jpe s ILE 111 Ca 0.62 0.81 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 2jpe s ILE 111 Cb -0.15 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 2jpe s ILE 111 CO 0.54 -0.26 0.00 0.47 -1.23 0.00 0.00 174.94 174.46 2jpe n ASP 112 N -1.50 -4.40 -2.37 3.58 10.43 0.29 -4.92 116.55 117.65 2jpe n ASP 112 Ca 0.10 0.35 -0.04 0.00 2.57 0.00 0.00 54.79 57.77 2jpe n ASP 112 Cb 0.52 -3.77 0.03 0.00 1.84 0.00 0.00 41.12 39.73 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 2jpe n SER 113 N -0.76 -0.40 -3.71 -2.24 2.88 -1.06 -4.85 113.62 103.49 2jpe n SER 113 Ca -0.14 -0.89 -0.12 0.00 -1.33 0.00 0.00 58.87 56.39 2jpe n SER 113 Cb 0.52 -0.12 -0.10 0.00 -0.75 0.00 0.00 64.21 63.75 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 -1.32 -0.01 0.05 2.46 2.01 -1.25 -3.25 115.64 114.33 2jpe s THR 114 Ca 0.09 0.04 0.05 0.00 0.31 0.00 0.00 61.69 62.18 2jpe s THR 114 Cb -0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.85 2jpe s THR 114 CO 0.07 0.02 -0.14 0.68 -0.69 0.00 0.00 174.62 174.55 2jpe s VAL 115 N 0.78 1.11 -0.18 3.82 -7.23 0.16 0.32 120.40 119.17 2jpe s VAL 115 Ca -0.04 -1.12 -0.03 0.00 -1.81 0.00 0.00 61.98 58.97 2jpe s VAL 115 Cb -0.05 -1.03 0.06 0.00 0.56 0.00 0.00 36.38 35.91 2jpe s VAL 115 CO -0.06 -0.09 0.04 -0.94 -0.31 0.00 0.00 175.10 173.73 2jpe s SER 116 N -1.39 2.77 0.80 4.85 1.04 -0.62 -0.16 113.70 121.00 2jpe s SER 116 Ca 0.00 -0.75 -0.11 0.00 0.48 0.00 0.00 55.95 55.57 2jpe s SER 116 Cb -0.09 -0.56 0.07 0.00 0.10 0.00 0.00 66.02 65.54 2jpe s SER 116 CO 0.02 -0.30 1.09 -0.36 0.98 0.00 0.00 173.24 174.67 2jpe s PHE 117 N 1.88 2.71 0.00 5.02 0.40 -1.17 -1.56 117.98 125.26 2jpe s PHE 117 Ca -0.00 1.29 0.00 0.00 -0.60 0.00 0.00 56.93 57.62 2jpe s PHE 117 Cb -0.17 -3.08 0.00 0.00 0.51 0.00 0.00 43.02 40.29 2jpe s PHE 117 CO -0.08 -1.84 0.65 0.41 0.70 0.00 0.00 175.22 175.06 2jpe n GLY 118 N -1.69 -2.99 0.00 4.36 0.00 0.24 -4.12 105.19 100.99 2jpe n GLY 118 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2jpe n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpe n ALA 119 N -1.12 0.00 -1.88 4.61 0.00 -1.26 -4.39 120.51 116.47 2jpe n ALA 119 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2jpe n ALA 119 Cb 0.00 0.11 -0.03 0.00 0.00 0.00 0.00 19.45 19.53 2jpe n ALA 119 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jpe s SER 120 N -2.70 6.54 -0.05 0.00 0.01 -1.26 -4.87 113.70 111.38 2jpe s SER 120 Ca 0.00 2.66 0.10 0.00 1.31 0.00 0.00 55.95 60.02 2jpe s SER 120 Cb 0.00 -2.59 0.36 0.00 0.21 0.00 0.00 66.02 64.00 2jpe s SER 120 CO 0.00 -0.87 1.22 0.35 0.41 0.00 0.00 173.24 174.35 2jpe n THR 121 N 4.09 0.84 -0.50 1.44 -2.24 -1.26 -3.06 114.28 113.59 2jpe n THR 121 Ca 0.15 -0.58 -0.15 0.00 -2.27 0.00 0.00 64.05 61.20 2jpe n THR 121 Cb 0.38 0.01 0.14 0.00 -2.10 0.00 0.00 70.33 68.76 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 0.49 -2.35 -3.08 -0.78 5.12 -1.26 -4.88 116.66 109.92 2jpe n ARG 122 Ca 0.13 -0.70 -0.18 0.00 -1.93 0.00 0.00 57.85 55.17 2jpe n ARG 122 Cb 0.47 -1.44 -0.02 0.00 -1.16 0.00 0.00 32.46 30.31 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 -4.37 2.57 -1.50 7.54 0.00 0.33 -4.22 120.51 120.87 2jpe n ALA 123 Ca 0.07 -3.55 -0.59 0.00 0.00 0.00 0.00 53.44 49.36 2jpe n ALA 123 Cb 0.29 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 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 0.16 1.57 -3.56 0.00 4.01 0.78 -3.71 117.16 116.41 2jpe n TYR 124 Ca 0.24 0.71 -0.41 0.00 -0.16 0.00 0.00 57.90 58.28 2jpe n TYR 124 Cb 0.64 -2.36 -0.10 0.00 -0.31 0.00 0.00 39.34 37.22 2jpe n TYR 124 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jpe s THR 125 N 5.08 4.50 -0.40 -0.72 2.01 -0.94 0.38 115.64 125.56 2jpe s THR 125 Ca 1.10 -1.22 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 2jpe s THR 125 Cb -1.29 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 67.54 2jpe s THR 125 CO 0.66 -0.46 1.49 -0.22 -0.69 0.00 0.00 174.62 175.40 2jpe s LEU 126 N 1.50 3.56 0.00 4.42 1.98 -1.20 -3.05 118.68 125.89 2jpe s LEU 126 Ca 0.03 0.90 0.02 0.00 -2.89 0.00 0.00 54.13 52.20 2jpe s LEU 126 Cb -0.22 -3.53 0.04 0.00 0.66 0.00 0.00 46.19 43.14 2jpe s LEU 126 CO 0.04 -1.50 0.31 -1.14 -1.89 0.00 0.00 176.35 172.17 2jpe n ARG 127 N 8.16 0.70 -3.24 1.98 3.00 -1.03 0.10 116.66 126.33 2jpe n ARG 127 Ca 0.18 -1.07 -0.03 0.00 -0.00 0.00 0.00 57.85 56.93 2jpe n ARG 127 Cb 0.48 -0.13 -0.04 0.00 0.00 0.00 0.00 32.46 32.76 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 -3.07 0.47 -0.91 -0.14 2.12 -1.26 -3.96 118.70 111.95 2jpe s GLU 128 Ca 0.22 0.61 -0.26 0.00 0.36 0.00 0.00 54.97 55.90 2jpe s GLU 128 Cb -0.02 0.02 -0.21 0.00 0.26 0.00 0.00 34.13 34.18 2jpe s GLU 128 CO 0.14 -0.78 2.40 1.63 -0.54 0.00 0.00 175.26 178.11 2jpe n LYS 129 N 5.39 0.00 0.00 4.30 5.02 0.88 -4.85 118.16 128.90 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 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 34.20 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 7.45 0.67 -1.69 1.97 -0.04 -1.26 -4.79 135.00 137.31 2jpe n PRO 130 Ca 0.60 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.73 2jpe n PRO 130 Cb 0.04 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 33.56 2jpe n PRO 130 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2jpe s GLN 131 N -0.66 2.63 0.00 0.54 -2.07 -1.26 -5.13 119.66 113.70 2jpe s GLN 131 Ca 0.00 1.54 0.01 0.00 -1.82 0.00 0.00 55.36 55.08 2jpe s GLN 131 Cb 0.00 -1.92 0.01 0.00 -1.09 0.00 0.00 33.01 30.01 2jpe s GLN 131 CO 0.00 -1.41 0.53 -2.37 -1.32 0.00 0.00 175.29 170.72