#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 1.07 0.48 3.04 0.00 -1.26 -5.17 121.76 119.93 2jpe s ALA 2 Ca 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.43 2jpe s ALA 2 Cb 0.00 0.91 0.02 0.00 0.00 0.00 0.00 23.12 24.05 2jpe s ALA 2 CO 0.00 -0.47 0.68 0.00 0.00 0.00 0.00 175.76 175.97 2jpe s ALA 3 N -3.97 4.07 -0.29 0.00 0.00 -1.26 -5.11 121.76 115.20 2jpe s ALA 3 Ca 0.28 -1.39 -0.02 0.00 0.00 0.00 0.00 51.96 50.83 2jpe s ALA 3 Cb 0.07 -1.94 0.18 0.00 0.00 0.00 0.00 23.12 21.43 2jpe s ALA 3 CO 0.05 -0.52 0.57 0.00 0.00 0.00 0.00 175.76 175.87 2jpe s ALA 4 N -2.58 -2.08 -0.38 0.00 0.00 -1.26 -5.02 121.76 110.44 2jpe s ALA 4 Ca 0.54 1.77 0.06 0.00 0.00 0.00 0.00 51.96 54.33 2jpe s ALA 4 Cb -0.10 -2.06 0.53 0.00 0.00 0.00 0.00 23.12 21.48 2jpe s ALA 4 CO 0.36 -1.28 1.62 0.28 0.00 0.00 0.00 175.76 176.74 2jpe n VAL 5 N 5.42 2.86 -4.08 0.00 0.31 -1.26 -4.91 118.33 116.68 2jpe n VAL 5 Ca -0.02 -2.78 -0.31 0.00 -0.01 0.00 0.00 64.34 61.22 2jpe n VAL 5 Cb 0.51 -0.57 -0.02 0.00 -0.91 0.00 0.00 33.84 32.85 2jpe n VAL 5 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2jpe n ASN 6 N -1.05 -2.12 -4.37 4.52 2.85 -1.26 -4.90 115.26 108.93 2jpe n ASN 6 Ca 0.45 -0.99 -0.42 0.00 -0.11 0.00 0.00 54.58 53.51 2jpe n ASN 6 Cb 1.12 -3.00 -0.10 0.00 1.24 0.00 0.00 39.78 39.05 2jpe n ASN 6 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2jpe s SER 7 N -3.78 5.90 0.00 1.20 1.04 -1.26 -5.03 113.70 111.78 2jpe s SER 7 Ca 0.41 -1.20 0.00 0.00 0.48 0.00 0.00 55.95 55.64 2jpe s SER 7 Cb -0.22 -2.09 0.00 0.00 0.10 0.00 0.00 66.02 63.82 2jpe s SER 7 CO 0.90 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2jpe n GLY 8 N 5.07 4.60 3.63 7.32 0.00 -1.26 -5.04 105.19 119.51 2jpe n GLY 8 Ca -0.11 -1.74 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jpe n SER 9 N 0.00 -1.93 -4.76 1.61 3.41 -1.26 -5.14 113.62 105.55 2jpe n SER 9 Ca 0.00 -2.74 -0.39 0.00 -0.26 0.00 0.00 58.87 55.48 2jpe n SER 9 Cb 0.00 3.33 0.02 0.00 -0.26 0.00 0.00 64.21 67.30 2jpe n SER 9 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2jpe s SER 10 N -3.13 5.70 0.49 4.04 1.04 -1.26 -4.72 113.70 115.85 2jpe s SER 10 Ca 0.22 2.79 0.00 0.00 0.48 0.00 0.00 55.95 59.44 2jpe s SER 10 Cb -0.03 -2.64 0.00 0.00 0.10 0.00 0.00 66.02 63.45 2jpe s SER 10 CO 0.16 -1.28 0.00 0.18 0.98 0.00 0.00 173.24 173.27 2jpe n LEU 11 N -0.51 -0.84 0.00 2.42 7.99 -1.26 -4.92 117.00 119.88 2jpe n LEU 11 Ca 0.07 1.95 0.00 0.00 -0.01 0.00 0.00 56.01 58.02 2jpe n LEU 11 Cb 0.44 -3.47 0.00 0.00 -0.11 0.00 0.00 43.42 40.27 2jpe n LEU 11 CO 0.55 -2.17 0.00 -0.81 -1.51 0.00 0.00 177.39 173.45 2jpe n PRO 12 N -4.10 0.63 -0.03 3.23 -0.04 -1.26 -5.03 135.00 128.40 2jpe n PRO 12 Ca -0.06 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.38 2jpe n PRO 12 Cb 0.62 0.00 -0.06 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 0.00 -3.73 1.53 -0.00 -1.26 -5.05 117.00 108.49 2jpe n LEU 13 Ca 0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 56.01 55.92 2jpe n LEU 13 Cb 0.00 0.14 -0.03 0.00 -0.00 0.00 0.00 43.42 43.54 2jpe n LEU 13 CO 0.00 0.14 0.39 0.12 -0.00 0.00 0.00 177.39 178.05 2jpe s PHE 14 N -2.24 -0.23 -0.15 1.47 5.36 -1.26 -4.97 117.98 115.96 2jpe s PHE 14 Ca -0.03 -0.13 -0.03 0.00 -0.96 0.00 0.00 56.93 55.77 2jpe s PHE 14 Cb 0.03 0.58 0.05 0.00 -0.34 0.00 0.00 43.02 43.33 2jpe s PHE 14 CO 0.30 -1.06 0.04 0.34 -1.46 0.00 0.00 175.22 173.38 2jpe s ASP 15 N -2.87 2.38 0.29 6.13 3.68 -1.26 -5.12 116.67 119.90 2jpe s ASP 15 Ca 0.09 -0.56 -0.29 0.00 2.13 0.00 0.00 52.55 53.92 2jpe s ASP 15 Cb -0.03 -0.45 -0.10 0.00 -1.45 0.00 0.00 42.92 40.88 2jpe s ASP 15 CO -0.00 -0.29 1.41 0.00 0.13 0.00 0.00 175.17 176.42 2jpe n PRO 17 N 1.61 0.76 -0.00 0.00 -0.04 -1.26 -5.01 135.00 131.06 2jpe n PRO 17 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2jpe n PRO 17 Cb 0.40 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 33.88 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 -0.57 0.01 1.07 0.52 5.66 -1.26 -4.41 114.28 115.30 2jpe n THR 18 Ca 0.00 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.61 2jpe n THR 18 Cb 0.00 1.08 0.11 0.00 -1.55 0.00 0.00 70.33 69.97 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 0.22 0.00 -2.57 1.09 4.27 -1.26 -4.92 117.44 114.26 2jpe n TRP 19 Ca 0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.23 2jpe n TRP 19 Cb 0.10 -0.02 -0.05 0.00 -1.36 0.00 0.00 31.31 29.98 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 -2.33 3.38 0.00 -1.67 0.00 -1.26 -0.72 121.76 119.16 2jpe s ALA 20 Ca 0.23 0.79 0.00 0.00 0.00 0.00 0.00 51.96 52.98 2jpe s ALA 20 Cb 0.19 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2jpe s ALA 20 CO 0.48 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2jpe n GLY 21 N 1.38 2.57 3.02 0.00 0.00 -1.18 -4.83 105.19 106.15 2jpe n GLY 21 Ca -0.01 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 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 2.54 0.24 0.38 1.61 2.36 -1.26 -4.48 119.74 121.13 2jpe s LYS 22 Ca 0.00 0.70 -0.25 0.00 -2.55 0.00 0.00 55.97 53.87 2jpe s LYS 22 Cb 0.00 -0.20 -0.09 0.00 -1.05 0.00 0.00 37.83 36.49 2jpe s LYS 22 CO 0.00 -0.41 1.06 -1.25 1.55 0.00 0.00 175.35 176.30 2jpe s PRO 23 N 2.49 4.24 0.68 4.03 0.04 -1.26 -5.04 135.00 140.19 2jpe s PRO 23 Ca 0.04 1.57 -0.11 0.00 0.04 0.00 0.00 61.00 62.53 2jpe s PRO 23 Cb -0.13 -2.66 0.00 0.00 0.04 0.00 0.00 34.50 31.75 2jpe s PRO 23 CO -0.12 -0.08 1.06 -1.25 0.04 0.00 0.00 177.00 176.65 2jpe s PRO 24 N -2.31 2.98 -1.12 0.56 0.04 -1.26 -4.61 135.00 129.29 2jpe s PRO 24 Ca 0.55 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 62.39 2jpe s PRO 24 Cb -0.24 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2jpe s PRO 24 CO 0.30 -1.07 2.04 -0.35 0.04 0.00 0.00 177.00 177.96 2jpe n PRO 25 N -3.02 2.18 -0.75 0.56 -0.04 -1.26 -3.66 135.00 129.01 2jpe n PRO 25 Ca 0.08 -2.30 -0.04 0.00 -0.04 0.00 0.00 63.50 61.20 2jpe n PRO 25 Cb 0.53 -3.17 -0.04 0.00 -0.04 0.00 0.00 33.50 30.79 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 4.51 0.10 3.32 0.55 0.00 -1.26 -5.04 105.19 107.36 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 0.00 2.40 -0.27 0.99 1.43 -1.24 0.32 118.68 122.31 2jpe s LEU 27 Ca 0.00 -1.12 -0.28 0.00 -1.03 0.00 0.00 54.13 51.71 2jpe s LEU 27 Cb 0.00 -0.42 0.17 0.00 0.03 0.00 0.00 46.19 45.98 2jpe s LEU 27 CO 0.00 -0.37 1.29 -1.38 0.23 0.00 0.00 176.35 176.12 2jpe s HIS 28 N -3.25 -0.14 0.65 0.29 -3.43 -1.25 -3.91 115.29 104.25 2jpe s HIS 28 Ca 0.24 0.29 -0.02 0.00 -0.80 0.00 0.00 55.06 54.77 2jpe s HIS 28 Cb 0.03 0.47 0.08 0.00 -1.43 0.00 0.00 32.58 31.73 2jpe s HIS 28 CO 0.06 -0.10 0.91 -1.17 -2.00 0.00 0.00 174.74 172.45 2jpe s LEU 29 N -0.58 3.06 0.23 5.38 1.98 0.54 -2.62 118.68 126.68 2jpe s LEU 29 Ca 0.06 -0.03 -0.19 0.00 -2.89 0.00 0.00 54.13 51.08 2jpe s LEU 29 Cb -0.03 -2.60 0.03 0.00 0.66 0.00 0.00 46.19 44.25 2jpe s LEU 29 CO -0.09 -1.53 0.60 -1.81 -1.89 0.00 0.00 176.35 171.64 2jpe s ASP 30 N -4.56 -0.27 0.01 3.68 1.01 -1.22 -1.06 116.67 114.26 2jpe s ASP 30 Ca 0.61 -0.54 0.00 0.00 0.71 0.00 0.00 52.55 53.34 2jpe s ASP 30 Cb -0.09 0.64 -0.01 0.00 1.01 0.00 0.00 42.92 44.47 2jpe s ASP 30 CO 0.42 -1.17 -0.03 -0.69 0.21 0.00 0.00 175.17 173.92 2jpe s VAL 31 N -3.90 0.12 -0.02 -1.27 1.01 -0.42 -2.39 120.40 113.54 2jpe s VAL 31 Ca 0.11 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.47 2jpe s VAL 31 Cb -0.03 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 36.15 2jpe s VAL 31 CO 0.01 -0.30 0.05 -0.69 0.00 0.00 0.00 175.10 174.18 2jpe s VAL 32 N -0.93 -0.02 -0.36 2.92 1.01 -1.22 0.01 120.40 121.81 2jpe s VAL 32 Ca -0.10 0.08 0.22 0.00 0.00 0.00 0.00 61.98 62.18 2jpe s VAL 32 Cb -0.06 -0.10 0.24 0.00 0.00 0.00 0.00 36.38 36.46 2jpe s VAL 32 CO -0.01 0.03 1.48 0.07 0.00 0.00 0.00 175.10 176.68 2jpe h LYS 33 N 6.54 0.00 0.00 2.72 2.10 -1.84 1.52 116.57 127.61 2jpe h LYS 33 Ca -0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.33 2jpe h LYS 33 Cb 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2jpe h LYS 33 CO 0.47 0.08 0.00 0.41 -2.00 0.00 0.00 179.45 178.41 2jpe n GLY 34 N 1.14 -2.10 0.86 0.07 0.00 -1.26 -4.80 105.19 99.11 2jpe n GLY 34 Ca 0.03 0.72 0.03 0.00 0.00 0.00 0.00 46.02 46.80 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 -1.64 0.78 -3.72 1.61 9.92 -1.26 -5.01 116.55 117.22 2jpe n ASP 35 Ca 0.00 -2.28 -0.13 0.00 -0.53 0.00 0.00 54.79 51.85 2jpe n ASP 35 Cb 0.00 -0.29 -0.13 0.00 -0.64 0.00 0.00 41.12 40.05 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 -0.58 0.18 -0.02 -1.24 2.20 -1.26 -5.12 119.74 113.90 2jpe s LYS 36 Ca 0.20 0.52 -0.30 0.00 -0.36 0.00 0.00 55.97 56.04 2jpe s LYS 36 Cb 0.22 -0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 36.34 2jpe s LYS 36 CO -0.07 -0.18 1.70 -1.17 -0.36 0.00 0.00 175.35 175.27 2jpe s LEU 37 N 1.36 4.35 -0.03 5.43 1.98 -1.26 -2.62 118.68 127.89 2jpe s LEU 37 Ca -0.08 2.35 -0.00 0.00 -2.89 0.00 0.00 54.13 53.50 2jpe s LEU 37 Cb -0.11 -3.54 -0.00 0.00 0.66 0.00 0.00 46.19 43.20 2jpe s LEU 37 CO -0.08 -0.94 -0.01 0.40 -1.89 0.00 0.00 176.35 173.83 2jpe h ILE 38 N 5.45 0.00 -3.83 6.68 1.08 -0.77 -3.48 117.51 122.64 2jpe h ILE 38 Ca -0.41 -0.29 -0.44 0.00 -0.39 0.00 0.00 64.86 63.33 2jpe h ILE 38 Cb 1.19 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.80 2jpe h ILE 38 CO 0.95 0.00 -0.55 -1.83 -0.69 0.00 0.00 178.15 176.03 2jpe s GLU 39 N -1.19 1.64 0.07 2.37 -1.05 -1.23 -5.00 118.70 114.31 2jpe s GLU 39 Ca -0.01 -1.95 0.04 0.00 -0.15 0.00 0.00 54.97 52.90 2jpe s GLU 39 Cb 0.00 -0.15 -0.03 0.00 -0.44 0.00 0.00 34.13 33.51 2jpe s GLU 39 CO 0.01 -0.46 -0.11 0.21 0.95 0.00 0.00 175.26 175.86 2jpe s LYS 40 N -3.78 0.75 0.17 -4.83 2.20 -1.26 -1.30 119.74 111.69 2jpe s LYS 40 Ca 0.35 -0.98 -0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2jpe s LYS 40 Cb 0.05 -0.56 -0.03 0.00 -1.51 0.00 0.00 37.83 35.78 2jpe s LYS 40 CO 0.18 0.10 0.19 -0.51 -0.36 0.00 0.00 175.35 174.95 2jpe s LEU 41 N -1.98 1.19 0.10 5.43 1.43 -0.22 -4.93 118.68 119.70 2jpe s LEU 41 Ca -0.01 -1.14 0.05 0.00 -1.03 0.00 0.00 54.13 52.00 2jpe s LEU 41 Cb -0.07 0.74 -0.04 0.00 0.03 0.00 0.00 46.19 46.85 2jpe s LEU 41 CO 0.01 -0.86 0.02 -0.63 0.23 0.00 0.00 176.35 175.12 2jpe s ILE 42 N -4.06 4.08 0.00 -0.59 1.09 -1.26 0.20 121.20 120.66 2jpe s ILE 42 Ca 0.27 -1.00 0.00 0.00 -1.10 0.00 0.00 60.65 58.81 2jpe s ILE 42 Cb 0.05 -2.96 0.00 0.00 -1.06 0.00 0.00 42.46 38.49 2jpe s ILE 42 CO 0.05 0.09 0.72 2.30 -0.10 0.00 0.00 174.94 178.01 2jpe n ILE 43 N 0.45 0.00 -2.26 2.92 -6.64 -1.25 -4.51 119.36 108.07 2jpe n ILE 43 Ca -0.10 0.00 -0.34 0.00 -1.77 0.00 0.00 62.75 60.54 2jpe n ILE 43 Cb 0.52 0.62 0.02 0.00 -1.44 0.00 0.00 39.64 39.36 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 6.15 0.00 7.28 5.68 -1.25 -4.48 116.55 129.93 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.52 2jpe n ASP 44 Cb 0.60 -0.79 0.00 0.00 -1.14 0.00 0.00 41.12 39.79 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jpe n GLU 45 N -0.47 0.00 -2.44 0.11 -0.58 -1.26 -4.61 120.64 111.39 2jpe n GLU 45 Ca 0.46 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 57.11 2jpe n GLU 45 Cb 0.42 -0.23 -0.01 0.00 -0.57 0.00 0.00 31.44 31.05 2jpe n GLU 45 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2jpe n LYS 46 N -2.26 1.42 0.00 3.49 -0.00 -1.26 -4.88 118.16 114.68 2jpe n LYS 46 Ca 0.00 -1.04 0.00 0.00 -0.00 0.00 0.00 58.31 57.28 2jpe n LYS 46 Cb 0.07 0.19 0.00 0.00 -0.00 0.00 0.00 35.03 35.29 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 -0.66 0.09 -3.59 -1.58 -0.00 -1.26 -4.15 118.16 107.01 2jpe n LYS 47 Ca -0.03 -0.46 -0.02 0.00 -0.00 0.00 0.00 58.31 57.80 2jpe n LYS 47 Cb 0.18 -0.95 -0.05 0.00 -0.00 0.00 0.00 35.03 34.22 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 -0.17 -0.94 0.00 5.58 -0.85 -1.26 0.17 117.35 119.88 2jpe s TYR 48 Ca 0.01 1.74 0.00 0.00 -0.52 0.00 0.00 57.07 58.30 2jpe s TYR 48 Cb 0.00 0.56 0.00 0.00 0.38 0.00 0.00 41.96 42.91 2jpe s TYR 48 CO 0.01 -0.47 0.00 0.66 -1.52 0.00 0.00 175.55 174.23 2jpe n TYR 49 N 4.63 0.00 -4.43 -3.49 4.01 0.77 -4.94 117.16 113.72 2jpe n TYR 49 Ca -0.15 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.37 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 1.90 -0.30 7.72 1.02 -1.26 -2.07 118.68 125.69 2jpe s LEU 50 Ca 0.00 -1.56 -0.04 0.00 0.02 0.00 0.00 54.13 52.56 2jpe s LEU 50 Cb 0.00 -0.05 0.19 0.00 0.02 0.00 0.00 46.19 46.35 2jpe s LEU 50 CO 0.00 -0.84 0.72 -0.36 0.02 0.00 0.00 176.35 175.89 2jpe s PHE 51 N -3.40 -1.34 0.00 0.29 0.08 0.14 -4.06 117.98 109.69 2jpe s PHE 51 Ca 0.31 1.36 0.00 0.00 0.12 0.00 0.00 56.93 58.72 2jpe s PHE 51 Cb 0.05 0.45 0.00 0.00 -0.57 0.00 0.00 43.02 42.95 2jpe s PHE 51 CO 0.16 -0.74 0.00 0.41 -0.10 0.00 0.00 175.22 174.95 2jpe n GLY 52 N 5.43 -0.26 0.50 4.36 0.00 -1.24 0.69 105.19 114.66 2jpe n GLY 52 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -2.60 1.61 1.74 -0.95 0.27 116.66 116.72 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 -0.02 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 -1.58 6.69 0.48 0.55 3.04 -1.23 -4.76 114.94 118.12 2jpe s ASN 54 Ca 0.00 0.58 0.27 0.00 0.04 0.00 0.00 52.86 53.76 2jpe s ASN 54 Cb 0.00 -2.55 0.83 0.00 -1.54 0.00 0.00 41.25 37.99 2jpe s ASN 54 CO 0.00 -1.19 1.79 1.55 -3.04 0.00 0.00 177.10 176.21 2jpe h PRO 55 N 9.03 0.00 0.00 0.43 0.13 -1.78 0.11 132.00 139.93 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 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jpe h PRO 55 CO 1.11 0.04 0.00 0.22 -0.23 0.00 0.00 178.00 179.14 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 -0.00 -1.94 -3.15 116.42 112.76 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 2jpe h ASP 56 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.11 2jpe h ASP 56 CO 0.01 0.00 -0.81 0.18 -0.00 0.00 0.00 179.24 178.61 2jpe n LEU 57 N -2.41 0.94 -4.96 2.28 4.77 -1.09 -5.05 117.00 111.47 2jpe n LEU 57 Ca -0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 2jpe n LEU 57 Cb 0.05 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2jpe n LEU 57 CO 0.12 0.10 0.35 0.00 -1.33 0.00 0.00 177.39 176.63 2jpe n ASP 59 N -2.27 0.91 -1.91 0.00 8.00 -1.26 -4.15 116.55 115.88 2jpe n ASP 59 Ca 0.05 0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.72 2jpe n ASP 59 Cb 0.59 0.13 0.00 0.00 -0.02 0.00 0.00 41.12 41.82 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 -1.83 -3.53 1.24 3.01 -1.26 -4.96 117.46 107.08 2jpe n PHE 60 Ca -0.28 0.00 -0.06 0.00 1.01 0.00 0.00 57.45 58.12 2jpe n PHE 60 Cb 1.08 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.48 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 0.34 -0.73 0.33 4.37 -4.23 -1.26 -4.44 115.64 110.01 2jpe s THR 61 Ca 0.00 0.07 0.22 0.00 -1.18 0.00 0.00 61.69 60.80 2jpe s THR 61 Cb 0.00 -0.79 0.21 0.00 1.34 0.00 0.00 72.50 73.26 2jpe s THR 61 CO 0.00 0.01 1.92 0.40 -0.54 0.00 0.00 174.62 176.41 2jpe h ILE 62 N 6.13 0.80 -5.21 2.99 2.04 -0.51 -3.47 117.51 120.28 2jpe h ILE 62 Ca -0.18 -0.95 -0.23 0.00 1.00 0.00 0.00 64.86 64.50 2jpe h ILE 62 Cb 1.12 1.58 0.18 0.00 -0.74 0.00 0.00 36.82 38.96 2jpe h ILE 62 CO 0.17 0.23 -0.76 -0.67 0.00 0.00 0.00 178.15 177.11 2jpe n ASP 63 N -3.72 -5.74 -3.66 1.72 4.64 -1.24 -5.03 116.55 103.53 2jpe n ASP 63 Ca -0.01 -0.63 -0.14 0.00 -1.38 0.00 0.00 54.79 52.63 2jpe n ASP 63 Cb 0.35 -4.73 -0.08 0.00 -1.04 0.00 0.00 41.12 35.62 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 -3.35 -0.70 0.14 -0.67 2.46 -1.26 -5.04 115.29 106.87 2jpe s HIS 64 Ca 0.37 1.72 -0.06 0.00 0.47 0.00 0.00 55.06 57.55 2jpe s HIS 64 Cb -0.05 0.24 -0.03 0.00 -0.13 0.00 0.00 32.58 32.61 2jpe s HIS 64 CO 0.66 -0.34 1.38 -0.56 -2.47 0.00 0.00 174.74 173.42 2jpe h GLN 65 N 5.13 0.58 -0.33 2.88 3.07 -1.97 -3.23 115.11 121.25 2jpe h GLN 65 Ca -0.28 -0.47 0.07 0.00 0.09 0.00 0.00 58.65 58.05 2jpe h GLN 65 Cb 1.17 0.10 -0.07 0.00 0.08 0.00 0.00 27.48 28.76 2jpe h GLN 65 CO 0.10 1.10 -0.10 0.77 0.09 0.00 0.00 178.83 180.78 2jpe h SER 66 N 0.40 -0.37 -0.78 0.06 0.02 -1.96 -3.41 113.55 107.51 2jpe h SER 66 Ca -0.04 0.11 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 2jpe h SER 66 Cb 1.34 0.23 0.00 0.00 0.14 0.00 0.00 62.40 64.11 2jpe h SER 66 CO 0.14 -0.13 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2jpe s SER 68 N -1.95 0.22 0.27 0.00 0.01 -1.26 -4.98 113.70 106.00 2jpe s SER 68 Ca 0.00 -1.34 -0.09 0.00 1.31 0.00 0.00 55.95 55.83 2jpe s SER 68 Cb 0.00 0.35 0.43 0.00 0.21 0.00 0.00 66.02 67.01 2jpe s SER 68 CO 0.00 -0.81 1.58 0.03 0.41 0.00 0.00 173.24 174.45 2jpe h ARG 69 N 2.67 0.00 -2.18 12.44 -0.00 -1.93 -2.02 114.38 123.37 2jpe h ARG 69 Ca -0.36 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.55 2jpe h ARG 69 Cb 1.24 -0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.79 2jpe h ARG 69 CO 0.55 0.00 -0.77 0.28 0.00 0.00 0.00 179.97 180.03 2jpe n VAL 70 N -5.58 1.88 -0.22 2.04 0.31 -1.26 -2.23 118.33 113.27 2jpe n VAL 70 Ca 0.15 -5.12 -0.01 0.00 -0.01 0.00 0.00 64.34 59.35 2jpe n VAL 70 Cb 0.48 -1.52 0.06 0.00 -0.91 0.00 0.00 33.84 31.95 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 3.49 -0.49 -1.93 3.52 2.76 -0.06 -3.43 115.15 119.02 2jpe h HIS 71 Ca 0.14 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.67 0.32 0.00 0.00 1.55 0.00 0.00 27.41 29.95 2jpe h HIS 71 CO 0.68 -0.31 0.00 0.00 -1.30 0.00 0.00 177.93 177.00 2jpe n ALA 72 N -3.14 0.00 -3.30 5.26 0.00 0.22 -2.99 120.51 116.56 2jpe n ALA 72 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2jpe n ALA 72 Cb 0.35 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.73 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 -1.04 -1.14 0.16 0.00 0.00 -0.68 0.25 121.76 119.32 2jpe s ALA 73 Ca 0.00 0.60 0.04 0.00 0.00 0.00 0.00 51.96 52.60 2jpe s ALA 73 Cb 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 2jpe s ALA 73 CO 0.00 -0.35 0.20 -1.17 0.00 0.00 0.00 175.76 174.43 2jpe s LEU 74 N -1.50 4.02 -0.17 0.00 0.20 -0.88 -0.24 118.68 120.10 2jpe s LEU 74 Ca -0.10 -0.01 -0.07 0.00 0.69 0.00 0.00 54.13 54.64 2jpe s LEU 74 Cb -0.02 -2.61 0.07 0.00 -0.43 0.00 0.00 46.19 43.20 2jpe s LEU 74 CO 0.04 0.06 0.36 -0.69 -0.29 0.00 0.00 176.35 175.83 2jpe s VAL 75 N -1.76 -0.40 -0.46 1.68 1.01 -0.30 -0.16 120.40 120.00 2jpe s VAL 75 Ca 0.32 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.25 2jpe s VAL 75 Cb -0.10 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.73 2jpe s VAL 75 CO 0.25 0.07 0.79 -0.47 0.00 0.00 0.00 175.10 175.75 2jpe s TYR 76 N 2.19 2.98 0.73 5.22 5.04 0.13 0.76 117.35 134.39 2jpe s TYR 76 Ca -0.03 0.12 -0.15 0.00 -2.44 0.00 0.00 57.07 54.57 2jpe s TYR 76 Cb -0.11 -3.69 0.04 0.00 0.35 0.00 0.00 41.96 38.55 2jpe s TYR 76 CO -0.11 -1.02 1.20 -1.58 -1.34 0.00 0.00 175.55 172.69 2jpe s HIS 77 N 3.32 2.10 -0.09 4.97 2.46 0.33 -3.11 115.29 125.28 2jpe s HIS 77 Ca 0.29 1.60 -0.01 0.00 0.47 0.00 0.00 55.06 57.42 2jpe s HIS 77 Cb -0.12 -3.44 -0.05 0.00 -0.13 0.00 0.00 32.58 28.84 2jpe s HIS 77 CO 0.22 -2.52 -0.09 0.36 -2.47 0.00 0.00 174.74 170.25 2jpe n LYS 78 N -2.73 0.21 0.06 2.88 2.85 0.10 -3.04 118.16 118.49 2jpe n LYS 78 Ca 0.13 0.06 0.11 0.00 -1.05 0.00 0.00 58.31 57.56 2jpe n LYS 78 Cb 0.50 -1.08 0.44 0.00 -0.65 0.00 0.00 35.03 34.24 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 -2.92 0.39 -0.02 5.58 8.25 -1.26 -2.96 115.22 122.29 2jpe n HIS 79 Ca -0.16 0.14 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2jpe n HIS 79 Cb 0.65 -0.72 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 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 -1.84 0.00 -2.17 2.41 4.77 -1.26 -5.02 117.00 113.89 2jpe n LEU 80 Ca 0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 2jpe n LEU 80 Cb 0.26 0.08 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2jpe n LEU 80 CO 0.20 0.08 0.09 0.29 -1.33 0.00 0.00 177.39 176.72 2jpe n LYS 81 N -2.03 -4.04 -1.04 3.23 4.01 -1.16 -5.01 118.16 112.13 2jpe n LYS 81 Ca -0.05 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 2jpe n LYS 81 Cb 0.50 -4.58 0.00 0.00 -0.51 0.00 0.00 35.03 30.44 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 -3.01 1.00 -4.57 1.97 1.74 -1.19 -4.94 116.66 107.66 2jpe n ARG 82 Ca -0.02 0.00 -0.27 0.00 -0.77 0.00 0.00 57.85 56.79 2jpe n ARG 82 Cb 0.55 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.88 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 -1.02 2.16 0.05 1.55 1.01 -1.21 0.12 120.40 123.06 2jpe s VAL 83 Ca 0.00 -2.13 -0.09 0.00 0.00 0.00 0.00 61.98 59.77 2jpe s VAL 83 Cb 0.00 -2.78 -0.00 0.00 0.00 0.00 0.00 36.38 33.60 2jpe s VAL 83 CO 0.00 -0.13 0.17 -0.36 0.00 0.00 0.00 175.10 174.79 2jpe s PHE 84 N -2.65 0.11 -0.23 5.22 0.40 0.23 0.23 117.98 121.29 2jpe s PHE 84 Ca 0.33 -0.39 -0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2jpe s PHE 84 Cb 0.05 -0.06 0.07 0.00 0.51 0.00 0.00 43.02 43.59 2jpe s PHE 84 CO 0.17 -0.44 -0.01 -1.17 0.70 0.00 0.00 175.22 174.46 2jpe s LEU 85 N -2.28 2.25 -0.47 -0.37 2.96 -0.35 -1.15 118.68 119.26 2jpe s LEU 85 Ca -0.03 -1.16 -0.19 0.00 -0.22 0.00 0.00 54.13 52.54 2jpe s LEU 85 Cb 0.00 -1.01 0.04 0.00 0.50 0.00 0.00 46.19 45.73 2jpe s LEU 85 CO -0.06 -0.28 0.58 -0.63 -1.32 0.00 0.00 176.35 174.65 2jpe s ILE 86 N 1.52 4.92 -0.81 6.68 1.01 0.66 -2.31 121.20 132.87 2jpe s ILE 86 Ca -0.03 -0.33 -0.23 0.00 0.00 0.00 0.00 60.65 60.06 2jpe s ILE 86 Cb -0.18 -4.22 -0.16 0.00 0.01 0.00 0.00 42.46 37.90 2jpe s ILE 86 CO -0.08 -0.67 1.90 0.47 0.00 0.00 0.00 174.94 176.55 2jpe n ASP 87 N 6.05 2.48 -4.44 3.58 10.43 -1.25 -1.69 116.55 131.72 2jpe n ASP 87 Ca -0.06 -2.66 -0.14 0.00 2.57 0.00 0.00 54.79 54.51 2jpe n ASP 87 Cb 0.46 -1.24 -0.12 0.00 1.84 0.00 0.00 41.12 42.07 2jpe n ASP 87 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2jpe n LEU 88 N 9.84 -0.05 -4.14 0.64 4.77 -1.16 -2.45 117.00 124.46 2jpe n LEU 88 Ca 0.48 -1.36 -0.32 0.00 -0.03 0.00 0.00 56.01 54.78 2jpe n LEU 88 Cb 0.42 -1.12 -0.08 0.00 -2.33 0.00 0.00 43.42 40.32 2jpe n LEU 88 CO 0.95 -2.26 -0.30 0.59 -1.33 0.00 0.00 177.39 175.03 2jpe n ASN 89 N 12.12 -0.19 -4.58 -1.43 5.03 -1.24 -4.53 115.26 120.44 2jpe n ASN 89 Ca 0.44 -1.12 -0.48 0.00 0.87 0.00 0.00 54.58 54.29 2jpe n ASN 89 Cb 0.36 -1.40 -0.04 0.00 -1.02 0.00 0.00 39.78 37.68 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -1.83 0.00 0.00 177.26 175.19 2jpe n SER 90 N -2.33 1.32 -0.27 6.41 2.88 -1.02 -4.78 113.62 115.84 2jpe n SER 90 Ca -0.12 1.15 0.07 0.00 -1.33 0.00 0.00 58.87 58.63 2jpe n SER 90 Cb 0.52 -1.22 0.14 0.00 -0.75 0.00 0.00 64.21 62.90 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 1.33 -0.32 -0.04 2.46 5.66 -1.26 -3.11 114.28 119.01 2jpe n THR 91 Ca 0.14 1.71 -0.08 0.00 -3.05 0.00 0.00 64.05 62.78 2jpe n THR 91 Cb 0.26 -2.41 -0.03 0.00 -1.55 0.00 0.00 70.33 66.59 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 -5.18 0.00 0.00 1.09 8.25 -1.26 -5.06 115.22 113.07 2jpe n HIS 92 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 2jpe n HIS 92 Cb 0.45 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.27 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 2.57 1.90 3.49 -1.41 0.00 -1.18 -4.97 105.19 105.60 2jpe n GLY 93 Ca -0.15 -1.62 -0.26 0.00 0.00 0.00 0.00 46.02 43.99 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 -1.73 2.67 0.11 2.61 2.01 -1.26 0.80 115.64 120.84 2jpe s THR 94 Ca 0.00 -2.05 0.00 0.00 0.31 0.00 0.00 61.69 59.95 2jpe s THR 94 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 2jpe s THR 94 CO 0.00 -0.22 -0.01 -0.36 -0.69 0.00 0.00 174.62 173.34 2jpe s PHE 95 N -1.98 0.83 -0.58 4.92 0.40 -0.56 -0.22 117.98 120.78 2jpe s PHE 95 Ca 0.25 -1.07 0.06 0.00 -0.60 0.00 0.00 56.93 55.57 2jpe s PHE 95 Cb -0.07 -0.50 0.32 0.00 0.51 0.00 0.00 43.02 43.28 2jpe s PHE 95 CO 0.13 -0.33 0.88 -0.11 0.70 0.00 0.00 175.22 176.50 2jpe n LEU 96 N -0.04 4.08 0.00 -0.37 7.94 0.12 -1.48 117.00 127.25 2jpe n LEU 96 Ca -0.10 -5.58 0.00 0.00 -1.11 0.00 0.00 56.01 49.22 2jpe n LEU 96 Cb 0.62 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2jpe n LEU 96 CO 0.30 2.28 0.00 0.61 -1.11 0.00 0.00 177.39 179.47 2jpe n GLY 97 N 0.06 2.05 0.08 -3.96 0.00 0.26 -3.67 105.19 100.01 2jpe n GLY 97 Ca 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.45 1.61 1.44 -1.26 -4.93 115.22 107.63 2jpe n HIS 98 Ca 0.00 -0.09 -0.24 0.00 -2.01 0.00 0.00 57.72 55.38 2jpe n HIS 98 Cb 0.00 -0.02 -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 2.57 0.09 0.61 1.01 -1.24 -5.15 121.20 118.89 2jpe s ILE 99 Ca 0.01 -2.30 0.09 0.00 0.00 0.00 0.00 60.65 58.45 2jpe s ILE 99 Cb 0.01 -2.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.01 2jpe s ILE 99 CO 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 174.94 174.34 2jpe s ARG 100 N -3.55 1.39 0.22 2.79 1.04 -1.26 0.14 118.95 119.72 2jpe s ARG 100 Ca 0.31 -1.16 0.09 0.00 -1.04 0.00 0.00 55.73 53.92 2jpe s ARG 100 Cb -0.04 -1.68 -0.04 0.00 -2.04 0.00 0.00 34.95 31.15 2jpe s ARG 100 CO 0.16 0.41 -0.02 -0.51 -0.04 0.00 0.00 175.30 175.30 2jpe s LEU 101 N -1.67 3.18 0.47 -1.89 1.43 0.69 -4.92 118.68 115.97 2jpe s LEU 101 Ca 0.10 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.50 2jpe s LEU 101 Cb -0.10 -1.77 -0.07 0.00 0.03 0.00 0.00 46.19 44.28 2jpe s LEU 101 CO 0.04 0.05 0.90 -1.61 0.23 0.00 0.00 176.35 175.96 2jpe s GLU 102 N -3.28 3.89 -1.07 1.70 0.41 -1.25 -4.27 118.70 114.83 2jpe s GLU 102 Ca 0.29 0.77 -0.07 0.00 -0.41 0.00 0.00 54.97 55.54 2jpe s GLU 102 Cb -0.08 -2.24 -0.08 0.00 -1.78 0.00 0.00 34.13 29.95 2jpe s GLU 102 CO 0.18 -0.18 2.53 -0.35 -0.49 0.00 0.00 175.26 176.96 2jpe n PRO 103 N -1.45 2.63 0.00 0.39 -0.04 -1.26 -3.07 135.00 132.20 2jpe n PRO 103 Ca 0.05 -1.65 0.00 0.00 -0.04 0.00 0.00 63.50 61.86 2jpe n PRO 103 Cb 0.54 -2.51 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 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 3.76 0.00 -2.44 0.54 8.25 -1.17 -3.67 115.22 120.50 2jpe n HIS 104 Ca 0.56 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.60 2jpe n HIS 104 Cb 0.24 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 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 4.37 0.60 -0.41 1.02 -1.17 -4.76 119.74 119.37 2jpe s LYS 105 Ca 0.00 1.71 -0.15 0.00 0.02 0.00 0.00 55.97 57.55 2jpe s LYS 105 Cb 0.00 -3.52 -0.04 0.00 -0.52 0.00 0.00 37.83 33.76 2jpe s LYS 105 CO 0.00 -0.41 1.05 -1.25 -0.92 0.00 0.00 175.35 173.82 2jpe s PRO 106 N 1.98 3.35 -0.18 -1.68 0.04 -1.26 -3.78 135.00 133.47 2jpe s PRO 106 Ca 0.57 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 2jpe s PRO 106 Cb -0.26 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.29 2jpe s PRO 106 CO 0.24 -0.78 -0.00 -1.14 0.04 0.00 0.00 177.00 175.35 2jpe s GLN 107 N -4.20 1.00 1.00 4.56 2.00 -0.98 -4.88 119.66 118.17 2jpe s GLN 107 Ca 0.62 -0.47 -0.20 0.00 -2.00 0.00 0.00 55.36 53.31 2jpe s GLN 107 Cb -0.15 -2.03 -0.13 0.00 0.80 0.00 0.00 33.01 31.50 2jpe s GLN 107 CO 0.38 -0.54 -0.87 0.00 -0.50 0.00 0.00 175.29 173.76 2jpe n GLN 108 N 4.96 -0.12 -3.58 1.67 10.64 -1.26 -1.21 117.38 128.48 2jpe n GLN 108 Ca -0.10 -0.03 -0.23 0.00 -1.83 0.00 0.00 57.00 54.81 2jpe n GLN 108 Cb 0.47 -1.12 -0.16 0.00 -0.86 0.00 0.00 30.24 28.57 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 -2.05 -0.16 0.79 -0.39 -1.09 0.62 -4.65 121.20 114.27 2jpe s ILE 109 Ca 0.41 -0.12 -0.11 0.00 -2.23 0.00 0.00 60.65 58.60 2jpe s ILE 109 Cb -0.09 -0.59 0.07 0.00 -1.58 0.00 0.00 42.46 40.27 2jpe s ILE 109 CO 0.75 -0.24 1.10 -2.16 -1.23 0.00 0.00 174.94 173.16 2jpe s PRO 110 N 2.20 2.11 0.60 2.79 0.04 -1.26 -3.34 135.00 138.14 2jpe s PRO 110 Ca 0.04 0.65 -0.17 0.00 0.04 0.00 0.00 61.00 61.55 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 -0.10 -1.60 1.13 0.42 0.04 0.00 0.00 177.00 176.89 2jpe s ILE 111 N -3.15 3.14 -1.38 0.56 -1.09 -1.26 -2.37 121.20 115.65 2jpe s ILE 111 Ca 0.61 0.63 0.00 0.00 -2.23 0.00 0.00 60.65 59.65 2jpe s ILE 111 Cb -0.14 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.55 2jpe s ILE 111 CO 0.54 -0.24 0.00 -0.67 -1.23 0.00 0.00 174.94 173.34 2jpe n ASP 112 N -1.85 -3.45 -2.65 3.58 -0.08 0.52 -4.91 116.55 107.72 2jpe n ASP 112 Ca 0.11 0.32 -0.06 0.00 -1.51 0.00 0.00 54.79 53.65 2jpe n ASP 112 Cb 0.51 -3.23 0.05 0.00 2.34 0.00 0.00 41.12 40.80 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2jpe n SER 113 N -0.53 -0.94 -3.66 1.67 2.88 -1.00 -4.85 113.62 107.19 2jpe n SER 113 Ca -0.13 -0.75 -0.07 0.00 -1.33 0.00 0.00 58.87 56.59 2jpe n SER 113 Cb 0.43 -0.21 -0.08 0.00 -0.75 0.00 0.00 64.21 63.60 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 -1.46 -0.50 0.52 2.46 2.01 -1.26 -3.61 115.64 113.80 2jpe s THR 114 Ca 0.15 0.10 0.02 0.00 0.31 0.00 0.00 61.69 62.27 2jpe s THR 114 Cb -0.01 -0.76 0.00 0.00 0.01 0.00 0.00 72.50 71.74 2jpe s THR 114 CO 0.11 0.04 0.09 0.68 -0.69 0.00 0.00 174.62 174.85 2jpe s VAL 115 N 2.27 1.24 -0.30 3.82 -7.23 0.46 0.92 120.40 121.58 2jpe s VAL 115 Ca -0.05 -1.89 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 2jpe s VAL 115 Cb -0.10 -2.13 0.17 0.00 0.56 0.00 0.00 36.38 34.88 2jpe s VAL 115 CO -0.15 0.00 0.87 -0.94 -0.31 0.00 0.00 175.10 174.57 2jpe s SER 116 N -3.97 -0.81 0.53 4.85 1.04 -0.55 -2.85 113.70 111.94 2jpe s SER 116 Ca 0.11 0.79 -0.17 0.00 0.48 0.00 0.00 55.95 57.15 2jpe s SER 116 Cb 0.01 1.79 -0.07 0.00 0.10 0.00 0.00 66.02 67.85 2jpe s SER 116 CO 0.06 -0.15 1.01 -0.36 0.98 0.00 0.00 173.24 174.78 2jpe s PHE 117 N 2.74 3.24 0.00 5.02 0.40 -1.26 -1.50 117.98 126.61 2jpe s PHE 117 Ca 0.03 1.51 0.00 0.00 -0.60 0.00 0.00 56.93 57.87 2jpe s PHE 117 Cb -0.10 -2.90 0.00 0.00 0.51 0.00 0.00 43.02 40.53 2jpe s PHE 117 CO -0.17 -0.63 0.99 0.41 0.70 0.00 0.00 175.22 176.52 2jpe n GLY 118 N -1.12 -2.59 0.00 4.36 0.00 0.24 -3.89 105.19 102.20 2jpe n GLY 118 Ca 0.08 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.15 -0.02 -0.44 4.61 0.00 -1.26 -4.61 120.51 116.64 2jpe n ALA 119 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 2jpe n ALA 119 Cb 0.00 0.21 0.27 0.00 0.00 0.00 0.00 19.45 19.94 2jpe n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jpe s SER 120 N -2.74 0.08 0.00 0.00 0.15 -1.25 -4.84 113.70 105.10 2jpe s SER 120 Ca 0.00 1.29 0.00 0.00 0.70 0.00 0.00 55.95 57.94 2jpe s SER 120 Cb 0.00 -1.97 0.00 0.00 -1.71 0.00 0.00 66.02 62.34 2jpe s SER 120 CO 0.00 -4.72 0.81 0.35 1.20 0.00 0.00 173.24 170.88 2jpe n THR 121 N -5.25 0.62 -0.32 6.45 -2.24 -1.26 -4.36 114.28 107.92 2jpe n THR 121 Ca 0.05 -0.62 -0.25 0.00 -2.27 0.00 0.00 64.05 60.97 2jpe n THR 121 Cb 0.56 0.69 0.24 0.00 -2.10 0.00 0.00 70.33 69.72 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 -0.31 -3.60 -3.19 -0.78 5.12 -1.26 -4.83 116.66 107.80 2jpe n ARG 122 Ca 0.00 -1.18 -0.21 0.00 -1.93 0.00 0.00 57.85 54.52 2jpe n ARG 122 Cb 0.34 -1.74 -0.05 0.00 -1.16 0.00 0.00 32.46 29.86 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 -5.32 2.28 -1.56 7.54 0.00 0.52 -4.45 120.51 119.53 2jpe n ALA 123 Ca -0.16 -3.45 -0.58 0.00 0.00 0.00 0.00 53.44 49.25 2jpe n ALA 123 Cb 0.49 -0.87 -0.08 0.00 0.00 0.00 0.00 19.45 18.98 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 0.80 1.73 -3.65 0.00 4.01 -1.13 -3.40 117.16 115.52 2jpe n TYR 124 Ca 0.23 0.60 -0.39 0.00 -0.16 0.00 0.00 57.90 58.19 2jpe n TYR 124 Cb 0.59 -2.41 -0.09 0.00 -0.31 0.00 0.00 39.34 37.12 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 4.88 3.90 -0.38 -0.72 2.01 -1.00 -0.40 115.64 123.92 2jpe s THR 125 Ca 1.06 -2.27 -0.28 0.00 0.31 0.00 0.00 61.69 60.52 2jpe s THR 125 Cb -1.16 -3.58 -0.03 0.00 0.01 0.00 0.00 72.50 67.75 2jpe s THR 125 CO 0.64 -0.80 1.89 -0.22 -0.69 0.00 0.00 174.62 175.44 2jpe s LEU 126 N 0.78 3.46 0.00 4.42 1.98 -1.24 -3.44 118.68 124.64 2jpe s LEU 126 Ca 0.11 1.17 0.03 0.00 -2.89 0.00 0.00 54.13 52.55 2jpe s LEU 126 Cb -0.22 -3.27 0.04 0.00 0.66 0.00 0.00 46.19 43.39 2jpe s LEU 126 CO -0.03 -1.93 0.29 -1.14 -1.89 0.00 0.00 176.35 171.65 2jpe n ARG 127 N 8.63 0.78 -3.25 1.98 3.00 -1.08 0.19 116.66 126.91 2jpe n ARG 127 Ca 0.24 -1.06 -0.04 0.00 -0.00 0.00 0.00 57.85 57.00 2jpe n ARG 127 Cb 0.48 -0.11 -0.04 0.00 0.00 0.00 0.00 32.46 32.79 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 -2.98 0.46 -0.86 -0.14 -6.30 -1.26 -3.95 118.70 103.66 2jpe s GLU 128 Ca 0.21 0.54 -0.23 0.00 -2.50 0.00 0.00 54.97 52.99 2jpe s GLU 128 Cb -0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 34.13 33.85 2jpe s GLU 128 CO 0.14 -0.82 2.25 1.63 0.02 0.00 0.00 175.26 178.48 2jpe n LYS 129 N 5.39 0.00 0.00 4.30 5.02 0.15 -4.85 118.16 128.17 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 -1.22 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 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 6.89 0.66 -1.93 1.97 -0.04 -1.26 -4.80 135.00 136.49 2jpe n PRO 130 Ca 0.57 0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 63.62 2jpe n PRO 130 Cb 0.04 0.00 -0.02 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 -0.68 4.21 0.00 0.54 2.00 -1.26 -5.14 119.66 119.34 2jpe s GLN 131 Ca 0.00 2.41 0.28 0.00 -2.00 0.00 0.00 55.36 56.05 2jpe s GLN 131 Cb 0.00 -3.06 1.12 0.00 0.80 0.00 0.00 33.01 31.87 2jpe s GLN 131 CO 0.00 -0.46 1.79 0.25 -0.50 0.00 0.00 175.29 176.36