#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 3.47 -1.17 3.04 0.00 -1.26 -5.03 121.76 120.81 2jpe s ALA 2 Ca 0.00 -1.05 -0.20 0.00 0.00 0.00 0.00 51.96 50.71 2jpe s ALA 2 Cb 0.00 -1.35 0.07 0.00 0.00 0.00 0.00 23.12 21.84 2jpe s ALA 2 CO 0.00 0.73 1.58 0.00 0.00 0.00 0.00 175.76 178.07 2jpe s ALA 3 N -1.36 3.13 -0.28 0.00 0.00 -1.26 -4.83 121.76 117.17 2jpe s ALA 3 Ca 0.28 -2.69 -0.01 0.00 0.00 0.00 0.00 51.96 49.55 2jpe s ALA 3 Cb -0.12 -4.54 0.17 0.00 0.00 0.00 0.00 23.12 18.63 2jpe s ALA 3 CO 0.21 -3.37 0.51 0.00 0.00 0.00 0.00 175.76 173.10 2jpe s ALA 4 N 4.27 -1.79 -0.14 0.00 0.00 -1.26 -5.04 121.76 117.80 2jpe s ALA 4 Ca 0.49 1.30 -0.14 0.00 0.00 0.00 0.00 51.96 53.61 2jpe s ALA 4 Cb 0.02 -2.03 -0.11 0.00 0.00 0.00 0.00 23.12 20.99 2jpe s ALA 4 CO -0.00 -1.40 0.21 0.28 0.00 0.00 0.00 175.76 174.85 2jpe h VAL 5 N 6.08 0.66 -3.17 0.00 2.07 -2.07 -3.47 116.25 116.34 2jpe h VAL 5 Ca -0.18 -1.59 -0.21 0.00 0.82 0.00 0.00 66.70 65.53 2jpe h VAL 5 Cb 1.16 1.34 -0.30 0.00 -1.52 0.00 0.00 31.29 31.97 2jpe h VAL 5 CO 0.25 0.22 -0.54 0.20 0.02 0.00 0.00 177.57 177.73 2jpe s ASN 6 N -6.03 -0.18 0.00 0.57 -0.87 -1.26 -5.08 114.94 102.09 2jpe s ASN 6 Ca -0.14 0.40 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2jpe s ASN 6 Cb 0.01 0.30 0.00 0.00 -0.02 0.00 0.00 41.25 41.54 2jpe s ASN 6 CO 0.35 -0.14 0.06 -0.24 -2.57 0.00 0.00 177.10 174.56 2jpe n SER 7 N 4.03 0.00 -0.59 -1.22 2.88 -1.26 -5.01 113.62 112.45 2jpe n SER 7 Ca -0.24 0.40 0.00 0.00 -1.33 0.00 0.00 58.87 57.70 2jpe n SER 7 Cb 0.53 -0.36 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 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 1.92 0.81 2.78 0.46 0.00 -1.26 -5.05 105.19 104.85 2jpe n GLY 8 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jpe s SER 9 N -2.87 4.10 -0.00 1.61 1.04 -1.26 -5.08 113.70 111.23 2jpe s SER 9 Ca 0.00 -1.93 -0.30 0.00 0.48 0.00 0.00 55.95 54.20 2jpe s SER 9 Cb 0.00 -1.04 0.12 0.00 0.10 0.00 0.00 66.02 65.19 2jpe s SER 9 CO 0.00 -0.38 1.25 -0.94 0.98 0.00 0.00 173.24 174.15 2jpe s SER 10 N 1.23 -0.08 0.84 7.02 1.04 -1.26 -5.16 113.70 117.33 2jpe s SER 10 Ca 0.12 -0.16 -0.11 0.00 0.48 0.00 0.00 55.95 56.28 2jpe s SER 10 Cb -0.19 0.20 0.10 0.00 0.10 0.00 0.00 66.02 66.23 2jpe s SER 10 CO -0.17 -0.37 1.13 -0.76 0.98 0.00 0.00 173.24 174.06 2jpe s LEU 11 N -2.94 2.98 0.00 2.42 2.01 -1.26 -5.03 118.68 116.86 2jpe s LEU 11 Ca 0.14 2.08 0.00 0.00 0.01 0.00 0.00 54.13 56.35 2jpe s LEU 11 Cb 0.04 -4.55 0.00 0.00 0.01 0.00 0.00 46.19 41.69 2jpe s LEU 11 CO -0.03 -2.60 0.00 -0.81 1.01 0.00 0.00 176.35 173.92 2jpe n PRO 12 N -3.77 0.68 -0.04 1.29 -0.04 -1.26 -5.03 135.00 126.83 2jpe n PRO 12 Ca 0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2jpe n PRO 12 Cb 0.52 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.53 -3.59 1.53 -0.00 -1.26 -5.08 117.00 109.14 2jpe n LEU 13 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 56.01 55.93 2jpe n LEU 13 Cb 0.00 0.09 -0.04 0.00 -0.00 0.00 0.00 43.42 43.48 2jpe n LEU 13 CO 0.00 0.27 0.90 0.12 -0.00 0.00 0.00 177.39 178.68 2jpe s PHE 14 N -2.19 -0.24 -0.22 1.47 2.19 -1.26 -5.01 117.98 112.73 2jpe s PHE 14 Ca -0.05 0.34 0.01 0.00 0.33 0.00 0.00 56.93 57.55 2jpe s PHE 14 Cb 0.02 0.48 0.03 0.00 -1.31 0.00 0.00 43.02 42.25 2jpe s PHE 14 CO 0.30 -0.27 -0.14 -0.51 1.83 0.00 0.00 175.22 176.43 2jpe s ASP 15 N -1.45 3.77 0.42 6.13 1.11 -1.26 -5.10 116.67 120.28 2jpe s ASP 15 Ca 0.04 -0.85 -0.25 0.00 0.18 0.00 0.00 52.55 51.66 2jpe s ASP 15 Cb -0.01 -1.55 -0.08 0.00 1.07 0.00 0.00 42.92 42.35 2jpe s ASP 15 CO -0.03 -0.07 1.28 0.00 1.18 0.00 0.00 175.17 177.53 2jpe n PRO 17 N -0.00 0.74 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.43 2jpe n PRO 17 Ca 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.55 2jpe n PRO 17 Cb 0.44 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.91 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 -0.60 0.00 1.15 0.52 5.66 -1.26 -4.31 114.28 115.44 2jpe n THR 18 Ca 0.00 -0.43 0.12 0.00 -3.05 0.00 0.00 64.05 60.69 2jpe n THR 18 Cb 0.00 1.14 0.21 0.00 -1.55 0.00 0.00 70.33 70.12 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 -0.03 0.00 -2.52 1.09 4.27 -1.26 -4.91 117.44 114.09 2jpe n TRP 19 Ca 0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.25 2jpe n TRP 19 Cb 0.21 -0.03 -0.04 0.00 -1.36 0.00 0.00 31.31 30.09 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 -2.26 3.38 -0.08 -1.67 0.00 -1.26 0.14 121.76 120.01 2jpe s ALA 20 Ca 0.26 0.83 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 2jpe s ALA 20 Cb 0.19 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2jpe s ALA 20 CO 0.44 -0.16 0.21 0.20 0.00 0.00 0.00 175.76 176.45 2jpe s GLY 21 N -0.44 -0.16 -0.33 0.00 0.00 -0.77 -4.73 107.32 100.89 2jpe s GLY 21 Ca 0.47 0.60 -0.41 0.00 0.00 0.00 0.00 44.72 45.39 2jpe s GLY 21 CO 0.37 0.53 1.80 1.17 0.00 0.00 0.00 173.10 176.97 2jpe n LYS 22 N 2.99 0.95 -1.94 2.90 3.00 -1.26 -4.66 118.16 120.14 2jpe n LYS 22 Ca -0.13 0.34 -0.32 0.00 -0.00 0.00 0.00 58.31 58.20 2jpe n LYS 22 Cb 0.58 -2.04 0.02 0.00 0.00 0.00 0.00 35.03 33.59 2jpe n LYS 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jpe s PRO 23 N 3.94 3.27 0.58 1.64 0.04 -1.25 -5.04 135.00 138.17 2jpe s PRO 23 Ca 1.02 1.11 -0.16 0.00 0.04 0.00 0.00 61.00 63.00 2jpe s PRO 23 Cb -1.12 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 31.34 2jpe s PRO 23 CO 0.66 -0.84 1.05 -1.25 0.04 0.00 0.00 177.00 176.66 2jpe s PRO 24 N -4.36 3.43 -1.19 0.56 0.04 -1.26 -4.69 135.00 127.53 2jpe s PRO 24 Ca 0.62 1.18 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 2jpe s PRO 24 Cb -0.15 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2jpe s PRO 24 CO 0.42 -0.72 1.93 -0.35 0.04 0.00 0.00 177.00 178.32 2jpe n PRO 25 N -1.90 2.31 -0.92 0.56 -0.04 -1.26 -3.77 135.00 129.98 2jpe n PRO 25 Ca 0.08 -2.62 -0.02 0.00 -0.04 0.00 0.00 63.50 60.91 2jpe n PRO 25 Cb 0.53 -3.41 -0.01 0.00 -0.04 0.00 0.00 33.50 30.58 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 5.08 -0.21 3.35 0.55 0.00 -1.26 -5.06 105.19 107.64 2jpe n GLY 26 Ca 0.49 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.27 2.25 -0.27 0.99 1.43 -1.25 0.18 118.68 121.74 2jpe s LEU 27 Ca 0.01 -1.21 -0.28 0.00 -1.03 0.00 0.00 54.13 51.61 2jpe s LEU 27 Cb 0.03 -0.33 0.18 0.00 0.03 0.00 0.00 46.19 46.10 2jpe s LEU 27 CO -0.01 -0.48 1.32 -1.38 0.23 0.00 0.00 176.35 176.03 2jpe s HIS 28 N -3.35 -0.11 0.43 0.29 -3.43 -1.25 -3.97 115.29 103.91 2jpe s HIS 28 Ca 0.28 0.21 -0.02 0.00 -0.80 0.00 0.00 55.06 54.74 2jpe s HIS 28 Cb 0.05 0.48 0.09 0.00 -1.43 0.00 0.00 32.58 31.77 2jpe s HIS 28 CO 0.09 -0.08 0.59 1.28 -2.00 0.00 0.00 174.74 174.62 2jpe n LEU 29 N 0.90 0.00 -3.69 5.38 4.77 0.52 -2.36 117.00 122.53 2jpe n LEU 29 Ca -0.05 -1.12 -0.04 0.00 -0.03 0.00 0.00 56.01 54.76 2jpe n LEU 29 Cb 0.58 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 2jpe n LEU 29 CO 0.07 -0.82 0.73 -1.81 -1.33 0.00 0.00 177.39 174.22 2jpe s ASP 30 N -3.36 -0.22 0.01 -1.43 1.11 -1.22 -2.36 116.67 109.19 2jpe s ASP 30 Ca 0.38 -0.29 0.01 0.00 0.18 0.00 0.00 52.55 52.83 2jpe s ASP 30 Cb -0.02 0.45 -0.01 0.00 1.07 0.00 0.00 42.92 44.41 2jpe s ASP 30 CO 0.26 -0.81 -0.04 -0.69 1.18 0.00 0.00 175.17 175.07 2jpe s VAL 31 N -3.21 0.25 -0.03 -1.27 1.01 -0.60 -2.77 120.40 113.78 2jpe s VAL 31 Ca 0.10 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.68 2jpe s VAL 31 Cb -0.01 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.14 2jpe s VAL 31 CO -0.01 -0.10 0.06 -0.69 0.00 0.00 0.00 175.10 174.36 2jpe s VAL 32 N -0.50 -0.07 -1.68 2.92 1.01 -1.25 0.17 120.40 121.00 2jpe s VAL 32 Ca -0.03 0.23 0.26 0.00 0.00 0.00 0.00 61.98 62.44 2jpe s VAL 32 Cb -0.04 -0.12 0.58 0.00 0.00 0.00 0.00 36.38 36.81 2jpe s VAL 32 CO -0.00 0.10 1.89 2.29 0.00 0.00 0.00 175.10 179.37 2jpe n LYS 33 N 4.31 0.57 0.00 2.72 -0.00 -0.91 0.18 118.16 125.03 2jpe n LYS 33 Ca -0.25 0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 2jpe n LYS 33 Cb 0.50 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.03 2jpe n LYS 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2jpe n GLY 34 N 0.77 0.17 0.45 2.58 0.00 -1.26 -4.82 105.19 103.07 2jpe n GLY 34 Ca 0.16 0.16 0.02 0.00 0.00 0.00 0.00 46.02 46.35 2jpe n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jpe n ASP 35 N 0.00 0.44 -3.70 1.61 5.75 -1.26 -4.98 116.55 114.41 2jpe n ASP 35 Ca 0.00 -2.20 -0.18 0.00 -0.01 0.00 0.00 54.79 52.41 2jpe n ASP 35 Cb 0.00 -0.24 -0.17 0.00 -1.03 0.00 0.00 41.12 39.68 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 2jpe s LYS 36 N -0.52 -0.04 -0.04 0.11 2.20 -1.26 -5.11 119.74 115.09 2jpe s LYS 36 Ca 0.06 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.74 2jpe s LYS 36 Cb 0.06 -0.37 -0.07 0.00 -1.51 0.00 0.00 37.83 35.94 2jpe s LYS 36 CO 0.00 -0.27 1.80 -1.17 -0.36 0.00 0.00 175.35 175.34 2jpe s LEU 37 N 1.84 4.30 0.00 5.43 1.98 -1.26 -2.14 118.68 128.82 2jpe s LEU 37 Ca -0.00 2.35 0.00 0.00 -2.89 0.00 0.00 54.13 53.59 2jpe s LEU 37 Cb -0.12 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.20 2jpe s LEU 37 CO -0.04 -1.04 0.00 -0.38 -1.89 0.00 0.00 176.35 173.00 2jpe n ILE 38 N 5.67 0.00 -4.35 6.68 2.08 0.13 -4.94 119.36 124.62 2jpe n ILE 38 Ca 0.19 0.38 -0.18 0.00 0.56 0.00 0.00 62.75 63.69 2jpe n ILE 38 Cb 0.42 -1.14 -0.06 0.00 -0.75 0.00 0.00 39.64 38.11 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 -1.66 0.58 -4.08 0.38 0.28 -1.24 -5.00 120.64 109.91 2jpe n GLU 39 Ca 0.00 -2.63 -0.13 0.00 -0.16 0.00 0.00 57.16 54.24 2jpe n GLU 39 Cb 0.00 1.59 -0.11 0.00 1.43 0.00 0.00 31.44 34.35 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 -3.16 0.58 0.15 3.44 2.20 -1.26 -1.55 119.74 120.13 2jpe s LYS 40 Ca 0.19 -0.83 -0.01 0.00 -0.36 0.00 0.00 55.97 54.96 2jpe s LYS 40 Cb 0.01 -0.32 -0.04 0.00 -1.51 0.00 0.00 37.83 35.97 2jpe s LYS 40 CO 0.14 0.05 0.09 -0.51 -0.36 0.00 0.00 175.35 174.76 2jpe s LEU 41 N -1.73 1.55 0.08 5.43 1.43 -1.00 -4.91 118.68 119.53 2jpe s LEU 41 Ca -0.07 -1.25 0.06 0.00 -1.03 0.00 0.00 54.13 51.84 2jpe s LEU 41 Cb -0.09 0.37 -0.04 0.00 0.03 0.00 0.00 46.19 46.46 2jpe s LEU 41 CO 0.00 -0.77 -0.08 -0.63 0.23 0.00 0.00 176.35 175.10 2jpe s ILE 42 N -4.08 3.52 0.00 -0.59 1.09 -1.26 0.20 121.20 120.08 2jpe s ILE 42 Ca 0.28 -1.11 0.00 0.00 -1.10 0.00 0.00 60.65 58.73 2jpe s ILE 42 Cb 0.07 -2.62 0.00 0.00 -1.06 0.00 0.00 42.46 38.85 2jpe s ILE 42 CO 0.05 0.19 0.75 2.30 -0.10 0.00 0.00 174.94 178.12 2jpe n ILE 43 N 0.90 0.00 -2.25 2.92 -6.64 -1.26 -4.58 119.36 108.45 2jpe n ILE 43 Ca -0.13 0.00 -0.36 0.00 -1.77 0.00 0.00 62.75 60.49 2jpe n ILE 43 Cb 0.52 0.67 0.02 0.00 -1.44 0.00 0.00 39.64 39.42 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 6.58 0.00 7.28 5.75 -1.25 -4.41 116.55 130.49 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.01 2jpe n ASP 44 Cb 0.61 -0.90 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 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 -0.43 0.00 -3.22 0.11 1.02 -1.26 -4.64 120.64 112.22 2jpe n GLU 45 Ca 0.47 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.44 2jpe n GLU 45 Cb 0.35 -0.22 -0.02 0.00 -0.02 0.00 0.00 31.44 31.54 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 -2.24 1.14 0.00 3.49 -0.00 -1.26 -4.83 118.16 114.46 2jpe n LYS 46 Ca 0.00 -2.10 0.03 0.00 -0.00 0.00 0.00 58.31 56.23 2jpe n LYS 46 Cb 0.05 0.40 0.01 0.00 -0.00 0.00 0.00 35.03 35.49 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 -1.01 1.54 -3.61 -1.58 0.00 -1.26 -3.96 118.16 108.28 2jpe n LYS 47 Ca -0.07 -0.60 -0.03 0.00 -0.00 0.00 0.00 58.31 57.61 2jpe n LYS 47 Cb 0.37 -1.01 -0.06 0.00 -0.00 0.00 0.00 35.03 34.34 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 -0.83 -0.90 0.00 5.58 -0.85 -1.26 -0.05 117.35 119.04 2jpe s TYR 48 Ca 0.06 1.71 0.00 0.00 -0.52 0.00 0.00 57.07 58.31 2jpe s TYR 48 Cb 0.05 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.93 2jpe s TYR 48 CO 0.12 -0.44 0.00 0.66 -1.52 0.00 0.00 175.55 174.37 2jpe n TYR 49 N 4.40 0.00 -4.48 -3.49 4.01 -0.36 -4.95 117.16 112.29 2jpe n TYR 49 Ca -0.17 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.33 2jpe n TYR 49 Cb 0.56 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.51 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 1.96 -0.30 7.72 1.02 -1.26 -2.11 118.68 125.70 2jpe s LEU 50 Ca 0.00 -1.67 -0.07 0.00 0.02 0.00 0.00 54.13 52.40 2jpe s LEU 50 Cb 0.00 -0.03 0.18 0.00 0.02 0.00 0.00 46.19 46.36 2jpe s LEU 50 CO 0.00 -0.94 0.81 -0.36 0.02 0.00 0.00 176.35 175.89 2jpe s PHE 51 N -3.25 -1.09 0.00 0.29 0.08 0.20 -4.06 117.98 110.14 2jpe s PHE 51 Ca 0.26 1.23 0.00 0.00 0.12 0.00 0.00 56.93 58.54 2jpe s PHE 51 Cb 0.03 0.41 0.00 0.00 -0.57 0.00 0.00 43.02 42.89 2jpe s PHE 51 CO 0.16 -0.59 0.00 0.41 -0.10 0.00 0.00 175.22 175.10 2jpe n GLY 52 N 5.42 -0.37 0.18 4.36 0.00 -1.24 0.77 105.19 114.31 2jpe n GLY 52 Ca -0.04 0.53 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 -2.71 1.61 1.74 -0.99 0.23 116.66 116.54 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 -0.06 -0.03 0.00 -1.02 0.00 0.00 32.46 31.35 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 -1.37 6.61 0.48 0.55 3.04 -1.23 -4.79 114.94 118.23 2jpe s ASN 54 Ca 0.00 0.40 0.27 0.00 0.04 0.00 0.00 52.86 53.57 2jpe s ASN 54 Cb 0.00 -2.50 0.82 0.00 -1.54 0.00 0.00 41.25 38.03 2jpe s ASN 54 CO 0.00 -1.11 1.78 1.55 -3.04 0.00 0.00 177.10 176.28 2jpe h PRO 55 N 9.01 0.00 0.00 0.43 0.13 -1.78 0.66 132.00 140.45 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 1.07 0.05 0.00 0.22 -0.23 0.00 0.00 178.00 179.11 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.58 -1.94 -3.17 116.42 116.32 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 0.79 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.84 2jpe h ASP 56 CO 0.01 0.00 -0.85 0.18 -2.88 0.00 0.00 179.24 175.70 2jpe n LEU 57 N -2.40 0.33 -4.95 2.28 4.77 -1.09 -5.07 117.00 110.86 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 0.04 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2jpe n LEU 57 CO 0.12 -0.01 0.47 0.00 -1.33 0.00 0.00 177.39 176.64 2jpe n ASP 59 N -2.58 0.77 -2.05 0.00 9.92 -1.26 -4.21 116.55 117.13 2jpe n ASP 59 Ca 0.08 0.12 -0.00 0.00 -0.53 0.00 0.00 54.79 54.45 2jpe n ASP 59 Cb 0.60 0.29 0.00 0.00 -0.64 0.00 0.00 41.12 41.37 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 2jpe n PHE 60 N -2.99 -1.62 -3.66 1.24 3.01 -1.26 -4.97 117.46 107.22 2jpe n PHE 60 Ca -0.30 -0.04 -0.08 0.00 1.01 0.00 0.00 57.45 58.03 2jpe n PHE 60 Cb 1.09 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 40.46 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 0.04 -0.54 0.29 4.37 -4.23 -1.26 -4.38 115.64 109.94 2jpe s THR 61 Ca 0.01 0.14 0.08 0.00 -1.18 0.00 0.00 61.69 60.74 2jpe s THR 61 Cb -0.00 -0.69 0.01 0.00 1.34 0.00 0.00 72.50 73.17 2jpe s THR 61 CO 0.00 0.06 1.67 0.40 -0.54 0.00 0.00 174.62 176.21 2jpe h ILE 62 N 6.02 1.35 -5.14 2.99 2.04 -0.54 -3.47 117.51 120.76 2jpe h ILE 62 Ca -0.20 -1.73 -0.00 0.00 1.00 0.00 0.00 64.86 63.93 2jpe h ILE 62 Cb 1.12 1.87 0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2jpe h ILE 62 CO 0.15 0.50 -0.02 -0.67 0.00 0.00 0.00 178.15 178.12 2jpe n ASP 63 N -3.95 -7.22 -0.21 1.72 2.03 -1.24 -5.02 116.55 102.66 2jpe n ASP 63 Ca -0.02 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2jpe n ASP 63 Cb 0.53 -4.89 0.00 0.00 -0.72 0.00 0.00 41.12 36.04 2jpe n ASP 63 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2jpe n HIS 64 N -1.72 -0.06 0.00 -0.67 -0.00 -1.26 -5.07 115.22 106.44 2jpe n HIS 64 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2jpe n HIS 64 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 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 0.83 0.08 1.57 10.64 -1.26 -4.75 117.38 124.48 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 -0.98 -0.13 0.00 -0.86 0.00 0.00 30.24 28.27 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 0.81 -1.82 2.61 0.02 -1.99 -3.46 113.55 109.73 2jpe h SER 66 Ca 0.00 -0.83 -0.49 0.00 -0.84 0.00 0.00 61.79 59.63 2jpe h SER 66 Cb 0.96 -0.26 0.24 0.00 0.14 0.00 0.00 62.40 63.49 2jpe h SER 66 CO 0.00 1.56 -1.87 0.00 -1.14 0.00 0.00 176.83 175.38 2jpe s SER 68 N -1.37 2.42 0.22 0.00 0.01 -1.26 -4.97 113.70 108.75 2jpe s SER 68 Ca 0.45 -1.07 -0.05 0.00 1.31 0.00 0.00 55.95 56.59 2jpe s SER 68 Cb -0.04 -0.11 0.40 0.00 0.21 0.00 0.00 66.02 66.48 2jpe s SER 68 CO 0.69 -0.26 1.23 0.54 0.41 0.00 0.00 173.24 175.85 2jpe n ARG 69 N -0.39 -0.07 -3.21 12.44 3.00 -1.26 -1.03 116.66 126.15 2jpe n ARG 69 Ca -0.08 1.22 -0.25 0.00 -0.01 0.00 0.00 57.85 58.73 2jpe n ARG 69 Cb 0.61 -1.84 -0.06 0.00 0.00 0.00 0.00 32.46 31.18 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 -5.25 1.65 -0.21 1.55 0.31 -1.26 -2.35 118.33 112.76 2jpe n VAL 70 Ca 0.13 -5.02 -0.01 0.00 -0.01 0.00 0.00 64.34 59.44 2jpe n VAL 70 Cb 0.43 -1.61 0.06 0.00 -0.91 0.00 0.00 33.84 31.80 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 3.63 -0.45 -2.69 3.52 2.76 0.14 -3.43 115.15 118.63 2jpe h HIS 71 Ca 0.14 0.06 -0.04 0.00 -2.20 0.00 0.00 60.37 58.33 2jpe h HIS 71 Cb 0.70 0.29 -0.00 0.00 1.55 0.00 0.00 27.41 29.95 2jpe h HIS 71 CO 0.65 -0.30 0.12 0.00 -1.30 0.00 0.00 177.93 177.10 2jpe n ALA 72 N -3.10 -0.88 -3.18 5.26 0.00 0.23 -2.93 120.51 115.90 2jpe n ALA 72 Ca 0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 53.44 52.61 2jpe n ALA 72 Cb 0.34 0.62 -0.11 0.00 0.00 0.00 0.00 19.45 20.30 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 -1.75 -0.71 0.34 0.00 0.00 -0.72 0.58 121.76 119.50 2jpe s ALA 73 Ca 0.11 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.79 2jpe s ALA 73 Cb -0.02 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.68 2jpe s ALA 73 CO 0.08 -0.16 0.54 -1.17 0.00 0.00 0.00 175.76 175.05 2jpe s LEU 74 N -0.11 4.03 -0.21 0.00 0.20 -0.90 -0.13 118.68 121.55 2jpe s LEU 74 Ca -0.02 0.45 -0.09 0.00 0.69 0.00 0.00 54.13 55.16 2jpe s LEU 74 Cb -0.03 -3.31 0.08 0.00 -0.43 0.00 0.00 46.19 42.51 2jpe s LEU 74 CO 0.01 -0.28 0.47 -0.69 -0.29 0.00 0.00 176.35 175.57 2jpe s VAL 75 N -2.29 -0.44 -0.46 1.68 1.01 0.65 -1.23 120.40 119.33 2jpe s VAL 75 Ca 0.40 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 2jpe s VAL 75 Cb -0.10 -0.72 0.03 0.00 0.00 0.00 0.00 36.38 35.59 2jpe s VAL 75 CO 0.35 0.05 0.73 -0.47 0.00 0.00 0.00 175.10 175.76 2jpe s TYR 76 N 2.18 3.01 0.71 5.22 5.04 0.92 0.13 117.35 134.57 2jpe s TYR 76 Ca -0.05 -0.00 -0.16 0.00 -2.44 0.00 0.00 57.07 54.41 2jpe s TYR 76 Cb -0.10 -3.56 0.01 0.00 0.35 0.00 0.00 41.96 38.66 2jpe s TYR 76 CO -0.14 -0.97 1.09 1.58 -1.34 0.00 0.00 175.55 175.76 2jpe n HIS 77 N 6.55 1.08 -0.05 4.97 -0.00 0.47 -1.84 115.22 126.40 2jpe n HIS 77 Ca -0.00 0.40 -0.09 0.00 0.46 0.00 0.00 57.72 58.49 2jpe n HIS 77 Cb 0.48 -2.13 -0.04 0.00 -0.12 0.00 0.00 29.99 28.17 2jpe n HIS 77 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2jpe n LYS 78 N -2.09 0.25 0.08 1.57 2.85 0.37 -2.78 118.16 118.41 2jpe n LYS 78 Ca 0.14 0.08 0.11 0.00 -1.05 0.00 0.00 58.31 57.58 2jpe n LYS 78 Cb 0.49 -1.09 0.44 0.00 -0.65 0.00 0.00 35.03 34.22 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 -3.05 0.57 -0.03 5.58 8.25 -1.25 -3.12 115.22 122.16 2jpe n HIS 79 Ca -0.20 0.21 -0.03 0.00 -0.26 0.00 0.00 57.72 57.44 2jpe n HIS 79 Cb 0.68 -0.84 -0.04 0.00 1.12 0.00 0.00 29.99 30.92 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 -2.00 0.95 -0.85 2.41 4.77 -1.26 -5.03 117.00 115.99 2jpe n LEU 80 Ca 0.03 -0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.95 2jpe n LEU 80 Cb 0.25 0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.36 2jpe n LEU 80 CO 0.20 0.28 -0.01 0.29 -1.33 0.00 0.00 177.39 176.82 2jpe n LYS 81 N -2.35 -1.03 -1.63 3.23 4.76 -1.12 -5.03 118.16 114.98 2jpe n LYS 81 Ca -0.09 0.22 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 2jpe n LYS 81 Cb 0.65 -3.70 0.00 0.00 -1.84 0.00 0.00 35.03 30.14 2jpe n LYS 81 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jpe n ARG 82 N -1.51 1.57 -4.37 1.97 1.74 -1.19 -4.91 116.66 109.96 2jpe n ARG 82 Ca -0.03 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.81 2jpe n ARG 82 Cb 0.53 0.00 -0.09 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 -1.03 2.80 0.02 1.55 1.01 -1.24 0.18 120.40 123.68 2jpe s VAL 83 Ca 0.00 -2.08 -0.10 0.00 0.00 0.00 0.00 61.98 59.80 2jpe s VAL 83 Cb 0.00 -2.67 0.01 0.00 0.00 0.00 0.00 36.38 33.71 2jpe s VAL 83 CO 0.00 -0.30 0.19 -0.36 0.00 0.00 0.00 175.10 174.63 2jpe s PHE 84 N -2.47 0.01 -0.26 5.22 0.40 0.35 0.24 117.98 121.48 2jpe s PHE 84 Ca 0.32 -0.13 0.02 0.00 -0.60 0.00 0.00 56.93 56.55 2jpe s PHE 84 Cb -0.03 -0.02 0.06 0.00 0.51 0.00 0.00 43.02 43.55 2jpe s PHE 84 CO 0.18 -0.37 -0.08 -1.17 0.70 0.00 0.00 175.22 174.48 2jpe s LEU 85 N -1.71 3.23 -0.46 -0.37 2.96 -0.63 -0.25 118.68 121.44 2jpe s LEU 85 Ca -0.10 -1.38 -0.19 0.00 -0.22 0.00 0.00 54.13 52.23 2jpe s LEU 85 Cb -0.04 -1.42 0.04 0.00 0.50 0.00 0.00 46.19 45.27 2jpe s LEU 85 CO -0.00 -0.22 0.58 -0.63 -1.32 0.00 0.00 176.35 174.76 2jpe s ILE 86 N 1.19 4.91 -0.62 6.68 1.01 0.81 -2.78 121.20 132.40 2jpe s ILE 86 Ca -0.06 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.08 2jpe s ILE 86 Cb -0.19 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.07 2jpe s ILE 86 CO -0.06 -0.64 1.71 -0.62 0.00 0.00 0.00 174.94 175.33 2jpe s ASP 87 N 2.22 5.54 -1.21 3.58 2.15 -1.26 -1.75 116.67 125.95 2jpe s ASP 87 Ca 0.17 0.21 -0.20 0.00 0.43 0.00 0.00 52.55 53.16 2jpe s ASP 87 Cb -0.17 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 39.93 2jpe s ASP 87 CO 0.15 -2.20 1.76 -0.76 -0.17 0.00 0.00 175.17 173.95 2jpe s LEU 88 N 8.10 3.55 -0.86 -1.34 1.43 -1.15 -0.98 118.68 127.42 2jpe s LEU 88 Ca 0.60 -2.00 -0.06 0.00 -1.03 0.00 0.00 54.13 51.64 2jpe s LEU 88 Cb -0.12 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.53 2jpe s LEU 88 CO 0.20 -1.81 0.11 0.59 0.23 0.00 0.00 176.35 175.68 2jpe n ASN 89 N 10.35 -0.26 -4.68 2.29 3.02 -1.23 -4.69 115.26 120.05 2jpe n ASN 89 Ca 0.45 -0.76 -0.40 0.00 -0.03 0.00 0.00 54.58 53.83 2jpe n ASN 89 Cb 0.47 -0.94 0.02 0.00 -0.61 0.00 0.00 39.78 38.72 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 -1.39 2.13 -0.50 6.41 2.88 -1.25 -4.77 113.62 117.12 2jpe n SER 90 Ca -0.16 1.03 0.40 0.00 -1.33 0.00 0.00 58.87 58.82 2jpe n SER 90 Cb 0.39 -1.48 0.66 0.00 -0.75 0.00 0.00 64.21 63.03 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 -0.60 -0.16 0.01 2.46 5.66 -1.26 -3.54 114.28 116.85 2jpe n THR 91 Ca 0.09 1.55 0.00 0.00 -3.05 0.00 0.00 64.05 62.64 2jpe n THR 91 Cb 0.41 -2.56 0.00 0.00 -1.55 0.00 0.00 70.33 66.64 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 -4.28 -0.06 0.00 1.09 8.25 -1.26 -5.11 115.22 113.84 2jpe n HIS 92 Ca 0.38 0.01 0.00 0.00 -0.26 0.00 0.00 57.72 57.85 2jpe n HIS 92 Cb 1.56 0.09 0.00 0.00 1.12 0.00 0.00 29.99 32.75 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 3.17 0.90 3.42 -1.41 0.00 -1.23 -4.99 105.19 105.04 2jpe n GLY 93 Ca 0.00 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.57 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 2.46 0.25 2.61 2.01 -1.26 0.19 115.64 119.90 2jpe s THR 94 Ca 0.00 -1.69 0.02 0.00 0.31 0.00 0.00 61.69 60.33 2jpe s THR 94 Cb 0.00 -2.11 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2jpe s THR 94 CO 0.00 0.08 0.06 -0.36 -0.69 0.00 0.00 174.62 173.72 2jpe s PHE 95 N -1.11 1.54 -0.55 4.92 0.40 -0.61 -0.42 117.98 122.16 2jpe s PHE 95 Ca 0.16 -1.10 0.06 0.00 -0.60 0.00 0.00 56.93 55.45 2jpe s PHE 95 Cb -0.10 -0.91 0.35 0.00 0.51 0.00 0.00 43.02 42.86 2jpe s PHE 95 CO 0.08 -0.24 0.95 -0.11 0.70 0.00 0.00 175.22 176.59 2jpe n LEU 96 N -0.45 4.20 0.00 -0.37 7.94 0.17 -1.83 117.00 126.67 2jpe n LEU 96 Ca -0.02 -5.58 0.00 0.00 -1.11 0.00 0.00 56.01 49.30 2jpe n LEU 96 Cb 0.66 -0.44 0.00 0.00 0.53 0.00 0.00 43.42 44.16 2jpe n LEU 96 CO 0.37 2.34 0.00 0.61 -1.11 0.00 0.00 177.39 179.60 2jpe n GLY 97 N -0.22 2.05 0.92 -3.96 0.00 0.34 -3.79 105.19 100.52 2jpe n GLY 97 Ca 0.31 -0.30 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.36 1.61 1.44 -1.26 -4.88 115.22 107.77 2jpe n HIS 98 Ca 0.00 -0.22 -0.19 0.00 -2.01 0.00 0.00 57.72 55.30 2jpe n HIS 98 Cb 0.00 -0.05 -0.14 0.00 0.12 0.00 0.00 29.99 29.93 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 0.00 0.94 -0.11 0.61 1.01 -1.25 -5.14 121.20 117.26 2jpe s ILE 99 Ca 0.13 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.93 2jpe s ILE 99 Cb 0.15 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.74 2jpe s ILE 99 CO -0.07 0.05 0.11 0.00 0.00 0.00 0.00 174.94 175.04 2jpe s ARG 100 N -0.84 3.34 0.17 2.79 1.04 -1.26 0.46 118.95 124.64 2jpe s ARG 100 Ca 0.01 -0.20 0.08 0.00 -1.04 0.00 0.00 55.73 54.59 2jpe s ARG 100 Cb -0.07 -3.10 -0.04 0.00 -2.04 0.00 0.00 34.95 29.70 2jpe s ARG 100 CO 0.01 0.76 -0.06 -0.51 -0.04 0.00 0.00 175.30 175.46 2jpe s LEU 101 N -1.04 3.12 0.44 -1.89 1.43 0.44 -4.94 118.68 116.24 2jpe s LEU 101 Ca 0.15 -0.48 -0.20 0.00 -1.03 0.00 0.00 54.13 52.57 2jpe s LEU 101 Cb -0.12 -1.80 -0.10 0.00 0.03 0.00 0.00 46.19 44.20 2jpe s LEU 101 CO 0.04 0.10 0.94 -1.61 0.23 0.00 0.00 176.35 176.06 2jpe s GLU 102 N -2.82 4.17 -0.85 1.70 2.02 -1.26 -4.33 118.70 117.33 2jpe s GLU 102 Ca 0.26 1.06 -0.07 0.00 0.02 0.00 0.00 54.97 56.24 2jpe s GLU 102 Cb -0.09 -2.19 -0.11 0.00 0.10 0.00 0.00 34.13 31.84 2jpe s GLU 102 CO 0.16 -0.06 2.59 -0.35 0.02 0.00 0.00 175.26 177.63 2jpe n PRO 103 N -0.77 2.39 0.00 0.39 -0.04 -1.26 -2.88 135.00 132.84 2jpe n PRO 103 Ca 0.07 -1.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.06 2jpe n PRO 103 Cb 0.54 -2.38 0.00 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.54 0.00 -2.57 0.54 8.25 -0.15 -3.55 115.22 121.27 2jpe n HIS 104 Ca 0.51 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.55 2jpe n HIS 104 Cb 0.33 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 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 4.43 0.69 -0.41 1.02 -1.14 -4.74 119.74 119.60 2jpe s LYS 105 Ca 0.00 1.56 -0.11 0.00 0.02 0.00 0.00 55.97 57.44 2jpe s LYS 105 Cb 0.00 -3.50 0.01 0.00 -0.52 0.00 0.00 37.83 33.82 2jpe s LYS 105 CO 0.00 -0.29 1.06 -1.25 -0.92 0.00 0.00 175.35 173.95 2jpe s PRO 106 N 1.70 2.94 -0.16 -1.68 0.04 -1.26 -3.98 135.00 132.60 2jpe s PRO 106 Ca 0.53 0.95 -0.04 0.00 0.04 0.00 0.00 61.00 62.48 2jpe s PRO 106 Cb -0.23 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.38 2jpe s PRO 106 CO 0.23 -1.10 0.11 -1.14 0.04 0.00 0.00 177.00 175.15 2jpe s GLN 107 N -5.05 0.07 1.01 4.56 2.00 -1.12 -4.92 119.66 116.22 2jpe s GLN 107 Ca 0.58 0.05 -0.22 0.00 -2.00 0.00 0.00 55.36 53.77 2jpe s GLN 107 Cb -0.14 -1.50 -0.12 0.00 0.80 0.00 0.00 33.01 32.05 2jpe s GLN 107 CO 0.55 -0.61 -0.92 0.00 -0.50 0.00 0.00 175.29 173.81 2jpe n GLN 108 N 5.29 -0.28 -3.65 1.67 10.64 -1.26 -1.61 117.38 128.19 2jpe n GLN 108 Ca -0.06 -0.07 -0.25 0.00 -1.83 0.00 0.00 57.00 54.78 2jpe n GLN 108 Cb 0.49 -1.19 -0.17 0.00 -0.86 0.00 0.00 30.24 28.52 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 0.02 0.74 -0.39 -1.09 0.67 -4.67 121.20 114.42 2jpe s ILE 109 Ca 0.42 -0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.61 2jpe s ILE 109 Cb -0.04 -0.58 0.04 0.00 -1.58 0.00 0.00 42.46 40.30 2jpe s ILE 109 CO 0.71 -0.17 1.08 -2.16 -1.23 0.00 0.00 174.94 173.17 2jpe s PRO 110 N 2.09 2.53 0.46 2.79 0.04 -1.26 -3.67 135.00 137.98 2jpe s PRO 110 Ca 0.02 0.81 -0.23 0.00 0.04 0.00 0.00 61.00 61.63 2jpe s PRO 110 Cb -0.15 -1.96 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 2jpe s PRO 110 CO -0.08 -1.35 1.21 0.42 0.04 0.00 0.00 177.00 177.24 2jpe s ILE 111 N -3.10 2.91 -1.38 0.56 -1.09 -1.26 -1.96 121.20 115.89 2jpe s ILE 111 Ca 0.59 0.71 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 2jpe s ILE 111 Cb -0.14 -3.37 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2jpe s ILE 111 CO 0.55 0.02 0.00 -0.67 -1.23 0.00 0.00 174.94 173.60 2jpe n ASP 112 N -0.41 -5.31 -2.60 3.58 4.64 0.43 -4.93 116.55 111.95 2jpe n ASP 112 Ca 0.07 0.32 -0.02 0.00 -1.38 0.00 0.00 54.79 53.78 2jpe n ASP 112 Cb 0.47 -4.15 0.01 0.00 -1.04 0.00 0.00 41.12 36.41 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -0.82 0.00 0.00 177.20 176.14 2jpe n SER 113 N -1.06 -1.16 -3.66 1.67 2.88 -0.83 -4.83 113.62 106.63 2jpe n SER 113 Ca -0.13 -0.49 -0.08 0.00 -1.33 0.00 0.00 58.87 56.85 2jpe n SER 113 Cb 0.58 -0.05 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 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 -1.10 -0.52 0.11 2.46 2.01 -1.25 -3.60 115.64 113.74 2jpe s THR 114 Ca 0.04 0.11 0.10 0.00 0.31 0.00 0.00 61.69 62.25 2jpe s THR 114 Cb -0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 72.50 71.74 2jpe s THR 114 CO 0.03 0.05 -0.25 0.54 -0.69 0.00 0.00 174.62 174.29 2jpe s VAL 115 N 2.33 2.10 -0.19 3.82 0.11 0.12 0.12 120.40 128.82 2jpe s VAL 115 Ca -0.05 -1.62 -0.04 0.00 -2.93 0.00 0.00 61.98 57.34 2jpe s VAL 115 Cb -0.11 -1.85 0.06 0.00 -1.53 0.00 0.00 36.38 32.95 2jpe s VAL 115 CO -0.14 0.11 0.07 -0.94 -3.33 0.00 0.00 175.10 170.87 2jpe s SER 116 N -1.84 2.64 1.24 3.54 1.04 -0.76 -0.62 113.70 118.94 2jpe s SER 116 Ca 0.12 -0.73 -0.18 0.00 0.48 0.00 0.00 55.95 55.63 2jpe s SER 116 Cb -0.10 -0.40 0.30 0.00 0.10 0.00 0.00 66.02 65.92 2jpe s SER 116 CO 0.05 -0.33 1.04 -0.36 0.98 0.00 0.00 173.24 174.61 2jpe s PHE 117 N 2.01 0.54 0.00 5.02 0.40 -1.18 -1.57 117.98 123.20 2jpe s PHE 117 Ca 0.01 0.70 0.00 0.00 -0.60 0.00 0.00 56.93 57.04 2jpe s PHE 117 Cb -0.16 -3.20 0.00 0.00 0.51 0.00 0.00 43.02 40.16 2jpe s PHE 117 CO -0.10 -4.08 0.58 0.41 0.70 0.00 0.00 175.22 172.73 2jpe n GLY 118 N 0.01 -3.24 0.00 4.36 0.00 0.51 -4.29 105.19 102.54 2jpe n GLY 118 Ca 0.10 0.37 -0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -1.93 -0.31 0.00 4.61 0.00 -1.94 -3.43 119.26 116.27 2jpe h ALA 119 Ca 0.00 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.55 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 -0.31 1.47 0.45 0.00 0.00 0.00 179.25 180.87 2jpe n SER 120 N -2.02 -0.21 0.00 0.00 2.88 -1.26 -4.64 113.62 108.38 2jpe n SER 120 Ca -0.00 -0.04 0.05 0.00 -1.33 0.00 0.00 58.87 57.55 2jpe n SER 120 Cb 0.00 -0.64 0.24 0.00 -0.75 0.00 0.00 64.21 63.06 2jpe n SER 120 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2jpe n THR 121 N 5.48 1.15 -0.87 2.46 5.66 -1.26 -3.10 114.28 123.80 2jpe n THR 121 Ca 0.53 0.29 -0.36 0.00 -3.05 0.00 0.00 64.05 61.46 2jpe n THR 121 Cb 0.05 -1.11 0.09 0.00 -1.55 0.00 0.00 70.33 67.81 2jpe n THR 121 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2jpe n ARG 122 N -1.45 -0.60 -3.09 1.09 5.12 -1.26 -4.80 116.66 111.67 2jpe n ARG 122 Ca 0.03 -0.17 -0.22 0.00 -1.93 0.00 0.00 57.85 55.56 2jpe n ARG 122 Cb 0.11 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 30.10 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 -3.79 3.16 -1.44 7.54 0.00 0.48 -4.32 120.51 122.13 2jpe n ALA 123 Ca -0.01 -3.97 -0.62 0.00 0.00 0.00 0.00 53.44 48.85 2jpe n ALA 123 Cb 0.69 -0.84 -0.11 0.00 0.00 0.00 0.00 19.45 19.19 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 0.09 1.40 -3.57 0.00 4.01 0.21 -3.90 117.16 115.41 2jpe n TYR 124 Ca 0.27 0.92 -0.40 0.00 -0.16 0.00 0.00 57.90 58.53 2jpe n TYR 124 Cb 0.54 -2.18 -0.09 0.00 -0.31 0.00 0.00 39.34 37.31 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 4.35 4.13 -0.34 -0.72 2.01 -1.12 0.16 115.64 124.12 2jpe s THR 125 Ca 1.08 -1.81 -0.28 0.00 0.31 0.00 0.00 61.69 60.99 2jpe s THR 125 Cb -1.44 -3.73 -0.02 0.00 0.01 0.00 0.00 72.50 67.32 2jpe s THR 125 CO 0.71 -0.77 1.83 -0.22 -0.69 0.00 0.00 174.62 175.49 2jpe s LEU 126 N 1.34 3.49 0.00 4.42 1.98 -1.24 -3.46 118.68 125.22 2jpe s LEU 126 Ca 0.06 1.30 0.03 0.00 -2.89 0.00 0.00 54.13 52.63 2jpe s LEU 126 Cb -0.26 -3.46 0.04 0.00 0.66 0.00 0.00 46.19 43.17 2jpe s LEU 126 CO -0.01 -1.77 0.30 -1.14 -1.89 0.00 0.00 176.35 171.85 2jpe n ARG 127 N 8.49 0.78 -3.25 1.98 3.00 -0.99 0.16 116.66 126.83 2jpe n ARG 127 Ca 0.23 -1.11 -0.03 0.00 -0.00 0.00 0.00 57.85 56.94 2jpe n ARG 127 Cb 0.47 -0.11 -0.04 0.00 0.00 0.00 0.00 32.46 32.78 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 -3.02 0.46 -0.89 -0.14 2.12 -1.26 -3.95 118.70 112.02 2jpe s GLU 128 Ca 0.22 0.58 -0.25 0.00 0.36 0.00 0.00 54.97 55.88 2jpe s GLU 128 Cb -0.02 -0.02 -0.21 0.00 0.26 0.00 0.00 34.13 34.14 2jpe s GLU 128 CO 0.14 -0.80 2.36 1.63 -0.54 0.00 0.00 175.26 178.06 2jpe n LYS 129 N 5.39 0.00 0.00 4.30 5.02 0.13 -4.85 118.16 128.15 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 -1.29 0.00 0.00 -0.02 0.00 0.00 35.03 34.23 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 7.29 0.67 -2.26 1.97 -0.04 -1.26 -4.78 135.00 136.59 2jpe n PRO 130 Ca 0.59 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.63 2jpe n PRO 130 Cb 0.04 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.47 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 -0.66 4.34 0.00 0.54 0.74 -1.26 -5.14 119.66 118.22 2jpe s GLN 131 Ca 0.00 1.96 0.30 0.00 0.05 0.00 0.00 55.36 57.66 2jpe s GLN 131 Cb 0.00 -3.38 1.76 0.00 1.10 0.00 0.00 33.01 32.49 2jpe s GLN 131 CO 0.00 -0.44 2.10 0.25 -0.55 0.00 0.00 175.29 176.65