#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpe s ALA 2 N 0.00 2.72 0.23 -5.12 0.00 -1.26 -4.94 121.76 113.40 2jpe s ALA 2 Ca 0.00 -1.17 -0.09 0.00 0.00 0.00 0.00 51.96 50.70 2jpe s ALA 2 Cb 0.00 -4.23 -0.02 0.00 0.00 0.00 0.00 23.12 18.88 2jpe s ALA 2 CO 0.00 -3.25 0.35 0.00 0.00 0.00 0.00 175.76 172.86 2jpe s ALA 3 N 6.02 0.25 -0.86 0.00 0.00 -1.26 -5.06 121.76 120.86 2jpe s ALA 3 Ca 0.41 -1.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 2jpe s ALA 3 Cb -0.09 1.17 0.35 0.00 0.00 0.00 0.00 23.12 24.55 2jpe s ALA 3 CO 0.18 -0.75 1.93 0.00 0.00 0.00 0.00 175.76 177.11 2jpe n ALA 4 N -0.33 6.34 -2.44 0.00 0.00 -1.26 -4.94 120.51 117.88 2jpe n ALA 4 Ca -0.01 -4.23 -0.27 0.00 0.00 0.00 0.00 53.44 48.93 2jpe n ALA 4 Cb 0.63 -1.94 -0.14 0.00 0.00 0.00 0.00 19.45 18.00 2jpe n ALA 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jpe s VAL 5 N -4.96 1.79 0.68 0.00 1.01 -1.26 -5.12 120.40 112.54 2jpe s VAL 5 Ca 0.49 -1.20 -0.17 0.00 0.00 0.00 0.00 61.98 61.10 2jpe s VAL 5 Cb 0.39 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2jpe s VAL 5 CO -0.35 0.29 1.26 -0.46 0.00 0.00 0.00 175.10 175.84 2jpe n ASN 6 N 1.94 1.83 -3.08 3.32 6.94 -1.26 -4.96 115.26 119.99 2jpe n ASN 6 Ca -0.17 0.79 -0.25 0.00 -0.02 0.00 0.00 54.58 54.93 2jpe n ASN 6 Cb 0.53 -1.54 -0.04 0.00 -2.36 0.00 0.00 39.78 36.36 2jpe n ASN 6 CO 0.00 0.00 0.00 -0.24 -1.03 0.00 0.00 177.26 175.99 2jpe n SER 7 N -2.09 3.21 -3.85 0.53 2.88 -1.26 -5.05 113.62 107.99 2jpe n SER 7 Ca 0.15 -3.42 -0.12 0.00 -1.33 0.00 0.00 58.87 54.15 2jpe n SER 7 Cb 0.48 -0.60 -0.11 0.00 -0.75 0.00 0.00 64.21 63.24 2jpe n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2jpe s GLY 8 N -2.94 -0.02 -0.41 0.46 0.00 -1.26 -5.12 107.32 98.04 2jpe s GLY 8 Ca 0.45 0.09 0.02 0.00 0.00 0.00 0.00 44.72 45.27 2jpe s GLY 8 CO -0.11 -0.02 0.20 -0.56 0.00 0.00 0.00 173.10 172.62 2jpe s SER 9 N -0.81 3.78 0.12 1.64 0.01 -1.26 -5.08 113.70 112.10 2jpe s SER 9 Ca -0.09 -2.41 -0.25 0.00 1.31 0.00 0.00 55.95 54.51 2jpe s SER 9 Cb -0.05 -1.03 0.08 0.00 0.21 0.00 0.00 66.02 65.23 2jpe s SER 9 CO 0.01 -0.30 1.08 -0.94 0.41 0.00 0.00 173.24 173.50 2jpe s SER 10 N 0.62 -0.06 0.88 2.44 1.04 -1.26 -5.15 113.70 112.20 2jpe s SER 10 Ca 0.16 -0.45 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 2jpe s SER 10 Cb -0.23 0.40 -0.10 0.00 0.10 0.00 0.00 66.02 66.19 2jpe s SER 10 CO -0.05 -0.78 -0.30 0.18 0.98 0.00 0.00 173.24 173.28 2jpe n LEU 11 N -0.61 -3.70 0.00 2.42 7.99 -1.26 -4.97 117.00 116.87 2jpe n LEU 11 Ca -0.04 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.29 2jpe n LEU 11 Cb 0.60 -0.92 0.00 0.00 -0.11 0.00 0.00 43.42 43.00 2jpe n LEU 11 CO 0.17 -5.02 0.00 -0.81 -1.51 0.00 0.00 177.39 170.21 2jpe n PRO 12 N 1.14 0.69 -0.03 3.23 -0.04 -1.26 -5.02 135.00 133.70 2jpe n PRO 12 Ca 0.03 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.47 2jpe n PRO 12 Cb 0.53 0.00 -0.08 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 0.00 -3.52 1.53 -0.00 -1.26 -5.06 117.00 108.69 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 0.17 -0.03 0.00 -0.00 0.00 0.00 43.42 43.56 2jpe n LEU 13 CO 0.00 0.17 0.69 0.12 -0.00 0.00 0.00 177.39 178.37 2jpe s PHE 14 N -2.38 -0.37 -0.19 1.47 2.19 -1.26 -4.98 117.98 112.47 2jpe s PHE 14 Ca -0.04 0.34 0.01 0.00 0.33 0.00 0.00 56.93 57.56 2jpe s PHE 14 Cb 0.04 0.52 0.04 0.00 -1.31 0.00 0.00 43.02 42.30 2jpe s PHE 14 CO 0.40 -0.51 -0.11 0.34 1.83 0.00 0.00 175.22 177.17 2jpe s ASP 15 N -2.16 3.32 0.39 6.13 -1.08 -1.26 -5.11 116.67 116.91 2jpe s ASP 15 Ca 0.03 -0.84 -0.26 0.00 -0.52 0.00 0.00 52.55 50.96 2jpe s ASP 15 Cb -0.01 -1.25 -0.09 0.00 -1.46 0.00 0.00 42.92 40.11 2jpe s ASP 15 CO -0.06 -0.13 1.29 0.00 0.52 0.00 0.00 175.17 176.79 2jpe n PRO 17 N 0.21 0.75 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.66 2jpe n PRO 17 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 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 -0.58 0.00 1.12 0.52 5.66 -1.26 -4.34 114.28 115.39 2jpe n THR 18 Ca 0.00 -0.46 0.12 0.00 -3.05 0.00 0.00 64.05 60.66 2jpe n THR 18 Cb 0.00 1.12 0.17 0.00 -1.55 0.00 0.00 70.33 70.07 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 -2.63 1.09 4.27 -1.26 -4.91 117.44 114.02 2jpe n TRP 19 Ca 0.04 0.00 -0.38 0.00 -3.89 0.00 0.00 57.50 53.27 2jpe n TRP 19 Cb 0.18 -0.04 -0.05 0.00 -1.36 0.00 0.00 31.31 30.03 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 -2.42 3.21 0.00 -1.67 0.00 -1.26 -0.28 121.76 119.34 2jpe s ALA 20 Ca 0.23 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.85 2jpe s ALA 20 Cb 0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.06 2jpe s ALA 20 CO 0.52 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.66 2jpe n GLY 21 N 0.66 3.57 2.89 0.00 0.00 -1.14 -4.79 105.19 106.38 2jpe n GLY 21 Ca 0.02 -0.40 -0.16 0.00 0.00 0.00 0.00 46.02 45.49 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 2.93 0.11 0.37 1.61 2.36 -1.26 -4.41 119.74 121.45 2jpe s LYS 22 Ca 0.00 0.57 -0.25 0.00 -2.55 0.00 0.00 55.97 53.73 2jpe s LYS 22 Cb 0.00 -0.36 -0.09 0.00 -1.05 0.00 0.00 37.83 36.33 2jpe s LYS 22 CO 0.00 -0.37 1.06 -1.25 1.55 0.00 0.00 175.35 176.35 2jpe s PRO 23 N 2.35 4.27 0.70 4.03 0.04 -1.26 -5.04 135.00 140.09 2jpe s PRO 23 Ca 0.03 1.58 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2jpe s PRO 23 Cb -0.13 -2.69 0.01 0.00 0.04 0.00 0.00 34.50 31.73 2jpe s PRO 23 CO -0.08 -0.06 1.06 -1.25 0.04 0.00 0.00 177.00 176.71 2jpe s PRO 24 N -2.25 2.91 -1.14 0.56 0.04 -1.26 -4.65 135.00 129.21 2jpe s PRO 24 Ca 0.55 0.95 -0.19 0.00 0.04 0.00 0.00 61.00 62.35 2jpe s PRO 24 Cb -0.24 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 2jpe s PRO 24 CO 0.31 -1.11 1.99 -0.35 0.04 0.00 0.00 177.00 177.88 2jpe n PRO 25 N -3.14 2.23 -0.78 0.56 -0.04 -1.26 -3.67 135.00 128.90 2jpe n PRO 25 Ca 0.07 -2.42 -0.03 0.00 -0.04 0.00 0.00 63.50 61.09 2jpe n PRO 25 Cb 0.54 -3.26 -0.02 0.00 -0.04 0.00 0.00 33.50 30.71 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 4.73 -0.10 3.33 0.55 0.00 -1.26 -5.05 105.19 107.40 2jpe n GLY 26 Ca 0.50 -0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.34 2jpe n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpe s LEU 27 N -0.11 2.32 -0.28 0.99 1.43 -1.24 0.58 118.68 122.38 2jpe s LEU 27 Ca 0.00 -1.17 -0.27 0.00 -1.03 0.00 0.00 54.13 51.66 2jpe s LEU 27 Cb 0.01 -0.37 0.18 0.00 0.03 0.00 0.00 46.19 46.05 2jpe s LEU 27 CO -0.00 -0.43 1.35 -1.38 0.23 0.00 0.00 176.35 176.11 2jpe s HIS 28 N -3.31 -0.10 0.72 0.29 -3.43 -1.25 -3.98 115.29 104.23 2jpe s HIS 28 Ca 0.26 0.20 -0.03 0.00 -0.80 0.00 0.00 55.06 54.70 2jpe s HIS 28 Cb 0.04 0.48 0.11 0.00 -1.43 0.00 0.00 32.58 31.79 2jpe s HIS 28 CO 0.08 -0.07 1.00 -1.17 -2.00 0.00 0.00 174.74 172.58 2jpe s LEU 29 N -0.50 2.97 0.21 5.38 2.96 0.51 -2.54 118.68 127.68 2jpe s LEU 29 Ca 0.07 -0.15 -0.22 0.00 -0.22 0.00 0.00 54.13 53.61 2jpe s LEU 29 Cb -0.03 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.43 2jpe s LEU 29 CO -0.10 -1.82 0.68 -1.81 -1.32 0.00 0.00 176.35 171.98 2jpe s ASP 30 N -4.68 -0.40 0.04 3.68 1.01 -1.25 -1.39 116.67 113.68 2jpe s ASP 30 Ca 0.65 -0.30 0.02 0.00 0.71 0.00 0.00 52.55 53.63 2jpe s ASP 30 Cb -0.07 0.65 -0.02 0.00 1.01 0.00 0.00 42.92 44.49 2jpe s ASP 30 CO 0.44 -1.13 -0.07 -0.69 0.21 0.00 0.00 175.17 173.94 2jpe s VAL 31 N -3.78 0.49 -0.11 -1.27 1.01 -0.55 -2.53 120.40 113.66 2jpe s VAL 31 Ca 0.06 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 2jpe s VAL 31 Cb -0.03 -0.56 0.03 0.00 0.00 0.00 0.00 36.38 35.82 2jpe s VAL 31 CO -0.03 -0.37 0.28 -0.69 0.00 0.00 0.00 175.10 174.29 2jpe s VAL 32 N -1.32 -0.01 -0.18 2.92 1.01 -1.22 0.31 120.40 121.91 2jpe s VAL 32 Ca -0.10 0.02 0.21 0.00 0.00 0.00 0.00 61.98 62.11 2jpe s VAL 32 Cb -0.10 -0.40 0.22 0.00 0.00 0.00 0.00 36.38 36.11 2jpe s VAL 32 CO 0.00 0.01 1.62 0.07 0.00 0.00 0.00 175.10 176.80 2jpe h LYS 33 N 5.96 0.00 0.00 2.72 2.10 -1.74 1.23 116.57 126.84 2jpe h LYS 33 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2jpe h LYS 33 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2jpe h LYS 33 CO 0.34 0.23 0.00 0.41 -2.00 0.00 0.00 179.45 178.43 2jpe n GLY 34 N 0.88 -0.47 0.36 0.07 0.00 -1.26 -4.77 105.19 100.00 2jpe n GLY 34 Ca 0.02 0.30 0.01 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 0.37 -3.74 1.61 5.75 -1.26 -5.03 116.55 114.25 2jpe n ASP 35 Ca 0.00 -2.01 -0.16 0.00 -0.01 0.00 0.00 54.79 52.61 2jpe n ASP 35 Cb 0.00 -0.20 -0.16 0.00 -1.03 0.00 0.00 41.12 39.73 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 -0.42 -0.01 -0.08 0.11 2.20 -1.26 -5.11 119.74 115.18 2jpe s LYS 36 Ca 0.04 0.30 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 2jpe s LYS 36 Cb 0.04 -0.27 -0.05 0.00 -1.51 0.00 0.00 37.83 36.03 2jpe s LYS 36 CO 0.00 -0.20 1.69 -1.17 -0.36 0.00 0.00 175.35 175.31 2jpe s LEU 37 N 1.36 4.24 0.00 5.43 1.98 -1.26 -1.99 118.68 128.44 2jpe s LEU 37 Ca -0.06 2.17 0.00 0.00 -2.89 0.00 0.00 54.13 53.35 2jpe s LEU 37 Cb -0.12 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.19 2jpe s LEU 37 CO -0.04 -1.01 0.16 -0.38 -1.89 0.00 0.00 176.35 173.19 2jpe n ILE 38 N 5.69 0.00 -4.16 6.68 2.08 0.15 -4.93 119.36 124.86 2jpe n ILE 38 Ca 0.18 0.51 -0.11 0.00 0.56 0.00 0.00 62.75 63.89 2jpe n ILE 38 Cb 0.43 -1.19 -0.04 0.00 -0.75 0.00 0.00 39.64 38.09 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 -1.41 0.28 -4.13 0.38 0.28 -1.23 -4.99 120.64 109.83 2jpe n GLU 39 Ca 0.00 -1.74 -0.12 0.00 -0.16 0.00 0.00 57.16 55.13 2jpe n GLU 39 Cb 0.00 1.37 -0.11 0.00 1.43 0.00 0.00 31.44 34.13 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 -2.72 0.72 0.15 3.44 2.20 -1.26 -1.48 119.74 120.79 2jpe s LYS 40 Ca 0.19 -1.08 -0.08 0.00 -0.36 0.00 0.00 55.97 54.64 2jpe s LYS 40 Cb 0.01 -0.30 -0.01 0.00 -1.51 0.00 0.00 37.83 36.02 2jpe s LYS 40 CO 0.14 0.03 0.26 -0.51 -0.36 0.00 0.00 175.35 174.90 2jpe s LEU 41 N -2.37 1.06 0.07 5.43 1.43 -0.49 -4.92 118.68 118.90 2jpe s LEU 41 Ca 0.02 -0.86 0.03 0.00 -1.03 0.00 0.00 54.13 52.29 2jpe s LEU 41 Cb -0.02 1.12 -0.04 0.00 0.03 0.00 0.00 46.19 47.28 2jpe s LEU 41 CO -0.02 -0.86 0.07 -0.63 0.23 0.00 0.00 176.35 175.13 2jpe s ILE 42 N -3.96 4.47 0.00 -0.59 1.09 -1.26 0.19 121.20 121.14 2jpe s ILE 42 Ca 0.16 -0.75 0.00 0.00 -1.10 0.00 0.00 60.65 58.97 2jpe s ILE 42 Cb 0.04 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.31 2jpe s ILE 42 CO -0.01 0.16 0.70 2.30 -0.10 0.00 0.00 174.94 177.99 2jpe n ILE 43 N 0.60 0.00 -2.08 2.92 -6.64 -1.26 -4.55 119.36 108.36 2jpe n ILE 43 Ca -0.10 0.00 -0.33 0.00 -1.77 0.00 0.00 62.75 60.55 2jpe n ILE 43 Cb 0.52 0.70 0.03 0.00 -1.44 0.00 0.00 39.64 39.44 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 6.30 0.00 7.28 5.68 -1.26 -4.46 116.55 130.10 2jpe n ASP 44 Ca 0.00 -3.78 0.00 0.00 -0.50 0.00 0.00 54.79 50.51 2jpe n ASP 44 Cb 0.59 -0.78 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 -0.57 0.00 -2.23 0.11 1.02 -1.26 -4.63 120.64 113.08 2jpe n GLU 45 Ca 0.49 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.57 2jpe n GLU 45 Cb 0.49 -0.36 -0.01 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 -2.31 1.57 0.00 3.49 -0.00 -1.26 -4.92 118.16 114.73 2jpe n LYS 46 Ca 0.00 -0.67 0.01 0.00 -0.00 0.00 0.00 58.31 57.65 2jpe n LYS 46 Cb 0.16 0.13 -0.00 0.00 -0.00 0.00 0.00 35.03 35.31 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 -0.48 3.21 -3.62 -1.58 0.00 -1.26 -4.10 118.16 110.33 2jpe n LYS 47 Ca -0.02 -0.29 -0.03 0.00 -0.00 0.00 0.00 58.31 57.97 2jpe n LYS 47 Cb 0.12 -0.80 -0.05 0.00 -0.00 0.00 0.00 35.03 34.29 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 -0.77 -1.10 0.00 5.58 -0.85 -1.26 -0.14 117.35 118.80 2jpe s TYR 48 Ca 0.02 2.02 0.00 0.00 -0.52 0.00 0.00 57.07 58.58 2jpe s TYR 48 Cb 0.02 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.02 2jpe s TYR 48 CO 0.07 -0.55 0.00 0.66 -1.52 0.00 0.00 175.55 174.21 2jpe n TYR 49 N 4.86 -0.49 -4.49 -3.49 4.01 0.06 -4.94 117.16 112.68 2jpe n TYR 49 Ca -0.15 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.34 2jpe n TYR 49 Cb 0.53 0.00 -0.08 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 1.98 -0.30 7.72 1.02 -1.26 -1.90 118.68 125.94 2jpe s LEU 50 Ca 0.00 -1.65 -0.06 0.00 0.02 0.00 0.00 54.13 52.44 2jpe s LEU 50 Cb 0.00 -0.09 0.18 0.00 0.02 0.00 0.00 46.19 46.31 2jpe s LEU 50 CO 0.00 -0.91 0.80 -0.36 0.02 0.00 0.00 176.35 175.90 2jpe s PHE 51 N -3.25 -1.13 0.00 0.29 0.08 0.15 -4.19 117.98 109.93 2jpe s PHE 51 Ca 0.26 1.16 0.00 0.00 0.12 0.00 0.00 56.93 58.47 2jpe s PHE 51 Cb 0.03 0.38 0.00 0.00 -0.57 0.00 0.00 43.02 42.86 2jpe s PHE 51 CO 0.15 -0.62 0.00 0.41 -0.10 0.00 0.00 175.22 175.06 2jpe n GLY 52 N 5.44 -0.16 0.47 4.36 0.00 -1.24 0.74 105.19 114.80 2jpe n GLY 52 Ca -0.03 0.51 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 -2.60 1.61 1.74 -0.94 0.30 116.66 116.77 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 -0.08 -0.02 0.00 -1.02 0.00 0.00 32.46 31.34 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 -1.71 6.69 0.47 0.55 3.04 -1.23 -4.78 114.94 117.97 2jpe s ASN 54 Ca 0.00 0.61 0.27 0.00 0.04 0.00 0.00 52.86 53.78 2jpe s ASN 54 Cb 0.00 -2.55 0.80 0.00 -1.54 0.00 0.00 41.25 37.96 2jpe s ASN 54 CO 0.00 -1.18 1.77 1.55 -3.04 0.00 0.00 177.10 176.21 2jpe h PRO 55 N 9.02 0.00 0.00 0.43 0.13 -1.78 0.59 132.00 140.39 2jpe h PRO 55 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2jpe h PRO 55 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jpe h PRO 55 CO 1.11 0.07 0.01 -0.44 -0.23 0.00 0.00 178.00 178.52 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.32 -1.94 -3.14 116.42 116.09 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jpe h ASP 56 Cb 0.80 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2jpe h ASP 56 CO 0.01 0.00 -0.82 0.18 -1.72 0.00 0.00 179.24 176.88 2jpe n LEU 57 N -2.38 0.56 -4.95 1.55 4.77 -1.09 -5.07 117.00 110.39 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 0.05 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.16 2jpe n LEU 57 CO 0.11 0.03 0.32 0.00 -1.33 0.00 0.00 177.39 176.52 2jpe n ASP 59 N -2.16 1.00 -1.95 0.00 -0.08 -1.26 -4.10 116.55 108.00 2jpe n ASP 59 Ca 0.02 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 2jpe n ASP 59 Cb 0.58 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2jpe n PHE 60 N -3.08 -2.10 -3.57 -0.67 3.01 -1.26 -4.97 117.46 104.83 2jpe n PHE 60 Ca -0.24 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.17 2jpe n PHE 60 Cb 1.07 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.47 2jpe n PHE 60 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2jpe s THR 61 N 0.46 -0.77 0.35 4.37 -4.23 -1.26 -4.46 115.64 110.09 2jpe s THR 61 Ca 0.00 0.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.67 2jpe s THR 61 Cb 0.00 -0.81 0.10 0.00 1.34 0.00 0.00 72.50 73.13 2jpe s THR 61 CO 0.00 0.02 1.81 0.40 -0.54 0.00 0.00 174.62 176.31 2jpe h ILE 62 N 6.11 1.25 -5.20 2.99 2.04 -0.47 -3.48 117.51 120.75 2jpe h ILE 62 Ca -0.17 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 64.52 2jpe h ILE 62 Cb 1.12 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2jpe h ILE 62 CO 0.15 0.35 -0.08 -0.67 0.00 0.00 0.00 178.15 177.89 2jpe n ASP 63 N -4.14 -7.46 -0.39 1.72 -0.08 -1.24 -4.97 116.55 99.98 2jpe n ASP 63 Ca -0.01 0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.30 2jpe n ASP 63 Cb 0.38 -5.05 0.00 0.00 2.34 0.00 0.00 41.12 38.78 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 -1.47 -0.16 -0.00 -0.67 -0.00 -1.26 -5.00 115.22 106.65 2jpe n HIS 64 Ca 0.02 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.19 2jpe n HIS 64 Cb 0.49 0.00 -0.01 0.00 -0.12 0.00 0.00 29.99 30.35 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 1.41 0.05 1.57 10.64 -1.26 -4.74 117.38 125.05 2jpe n GLN 65 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 2jpe n GLN 65 Cb 0.00 -1.02 -0.12 0.00 -0.86 0.00 0.00 30.24 28.24 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 0.72 -1.82 2.61 0.02 -1.98 -3.46 113.55 109.65 2jpe h SER 66 Ca -0.02 -0.81 -0.48 0.00 -0.84 0.00 0.00 61.79 59.64 2jpe h SER 66 Cb 1.04 -0.22 0.24 0.00 0.14 0.00 0.00 62.40 63.60 2jpe h SER 66 CO -0.00 1.45 -1.78 0.00 -1.14 0.00 0.00 176.83 175.35 2jpe s SER 68 N -1.46 2.09 0.21 0.00 0.15 -1.26 -4.97 113.70 108.46 2jpe s SER 68 Ca 0.47 -1.19 -0.11 0.00 0.70 0.00 0.00 55.95 55.82 2jpe s SER 68 Cb -0.03 -0.04 0.29 0.00 -1.71 0.00 0.00 66.02 64.53 2jpe s SER 68 CO 0.67 -0.45 1.31 0.54 1.20 0.00 0.00 173.24 176.51 2jpe n ARG 69 N -0.45 -0.14 -3.23 5.44 3.00 -1.26 -1.49 116.66 118.53 2jpe n ARG 69 Ca -0.06 1.31 -0.25 0.00 -0.01 0.00 0.00 57.85 58.84 2jpe n ARG 69 Cb 0.63 -1.95 -0.06 0.00 0.00 0.00 0.00 32.46 31.09 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 1.67 -0.23 1.55 0.31 -1.26 -2.22 118.33 112.84 2jpe n VAL 70 Ca 0.11 -5.01 0.00 0.00 -0.01 0.00 0.00 64.34 59.43 2jpe n VAL 70 Cb 0.38 -1.69 0.08 0.00 -0.91 0.00 0.00 33.84 31.69 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 3.71 -0.32 -2.48 3.52 2.76 0.65 -3.43 115.15 119.56 2jpe h HIS 71 Ca 0.15 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 2jpe h HIS 71 Cb 0.70 0.25 -0.00 0.00 1.55 0.00 0.00 27.41 29.90 2jpe h HIS 71 CO 0.65 -0.28 0.08 0.00 -1.30 0.00 0.00 177.93 177.09 2jpe n ALA 72 N -3.09 -0.62 -3.27 5.26 0.00 0.23 -2.77 120.51 116.25 2jpe n ALA 72 Ca 0.09 -0.54 -0.13 0.00 0.00 0.00 0.00 53.44 52.85 2jpe n ALA 72 Cb 0.35 0.43 -0.10 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.55 -0.92 0.27 0.00 0.00 -0.89 0.30 121.76 118.96 2jpe s ALA 73 Ca 0.07 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 2jpe s ALA 73 Cb -0.02 -0.45 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2jpe s ALA 73 CO 0.05 -0.20 0.49 -1.17 0.00 0.00 0.00 175.76 174.93 2jpe s LEU 74 N -0.19 4.11 -0.16 0.00 0.20 -0.80 -0.83 118.68 121.02 2jpe s LEU 74 Ca -0.03 0.50 -0.08 0.00 0.69 0.00 0.00 54.13 55.20 2jpe s LEU 74 Cb -0.03 -3.31 0.06 0.00 -0.43 0.00 0.00 46.19 42.48 2jpe s LEU 74 CO 0.02 -0.17 0.38 -0.69 -0.29 0.00 0.00 176.35 175.60 2jpe s VAL 75 N -2.07 -0.15 -0.45 1.68 1.01 0.22 -0.76 120.40 119.89 2jpe s VAL 75 Ca 0.40 0.13 -0.19 0.00 0.00 0.00 0.00 61.98 62.31 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 0.31 0.05 0.59 -0.47 0.00 0.00 0.00 175.10 175.58 2jpe s TYR 76 N 1.63 3.09 0.82 5.22 5.04 0.80 0.16 117.35 134.10 2jpe s TYR 76 Ca -0.08 -0.24 -0.13 0.00 -2.44 0.00 0.00 57.07 54.18 2jpe s TYR 76 Cb -0.09 -3.27 0.09 0.00 0.35 0.00 0.00 41.96 39.04 2jpe s TYR 76 CO -0.12 -0.86 1.19 -1.58 -1.34 0.00 0.00 175.55 172.84 2jpe s HIS 77 N 2.60 1.83 -0.06 4.97 2.46 0.35 -2.86 115.29 124.58 2jpe s HIS 77 Ca 0.18 1.68 -0.01 0.00 0.47 0.00 0.00 55.06 57.39 2jpe s HIS 77 Cb -0.16 -3.44 -0.04 0.00 -0.13 0.00 0.00 32.58 28.81 2jpe s HIS 77 CO 0.16 -2.78 -0.06 0.36 -2.47 0.00 0.00 174.74 169.95 2jpe n LYS 78 N -3.41 0.15 0.00 2.88 2.85 0.62 -3.17 118.16 118.08 2jpe n LYS 78 Ca 0.13 0.04 0.10 0.00 -1.05 0.00 0.00 58.31 57.53 2jpe n LYS 78 Cb 0.51 -1.01 0.44 0.00 -0.65 0.00 0.00 35.03 34.32 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 -2.85 0.02 -0.01 5.58 8.25 -1.26 -3.05 115.22 121.90 2jpe n HIS 79 Ca -0.11 0.01 -0.01 0.00 -0.26 0.00 0.00 57.72 57.35 2jpe n HIS 79 Cb 0.61 -0.51 -0.02 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.51 0.00 -1.86 2.41 4.77 -1.26 -5.02 117.00 114.52 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 0.24 0.05 0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2jpe n LEU 80 CO 0.19 0.05 0.03 0.29 -1.33 0.00 0.00 177.39 176.62 2jpe n LYS 81 N -2.00 -3.09 -1.31 3.23 4.01 -1.17 -5.01 118.16 112.82 2jpe n LYS 81 Ca -0.03 0.49 0.00 0.00 -0.51 0.00 0.00 58.31 58.26 2jpe n LYS 81 Cb 0.49 -4.46 0.00 0.00 -0.51 0.00 0.00 35.03 30.55 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 -2.64 1.28 -4.43 1.97 1.74 -1.21 -4.93 116.66 108.43 2jpe n ARG 82 Ca -0.05 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.78 2jpe n ARG 82 Cb 0.56 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.90 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 -1.01 2.33 0.01 1.55 1.01 -1.22 0.13 120.40 123.20 2jpe s VAL 83 Ca 0.00 -2.01 -0.11 0.00 0.00 0.00 0.00 61.98 59.86 2jpe s VAL 83 Cb 0.00 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2jpe s VAL 83 CO 0.00 -0.13 0.23 -0.36 0.00 0.00 0.00 175.10 174.84 2jpe s PHE 84 N -2.60 -0.05 -0.28 5.22 0.40 0.42 0.21 117.98 121.31 2jpe s PHE 84 Ca 0.35 -0.01 0.02 0.00 -0.60 0.00 0.00 56.93 56.69 2jpe s PHE 84 Cb 0.03 0.02 0.08 0.00 0.51 0.00 0.00 43.02 43.66 2jpe s PHE 84 CO 0.19 -0.37 -0.02 -1.17 0.70 0.00 0.00 175.22 174.55 2jpe s LEU 85 N -1.57 3.25 -0.45 -0.37 2.96 -0.66 -0.61 118.68 121.24 2jpe s LEU 85 Ca -0.12 -1.53 -0.21 0.00 -0.22 0.00 0.00 54.13 52.05 2jpe s LEU 85 Cb -0.05 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.35 2jpe s LEU 85 CO 0.01 -0.29 0.69 -0.63 -1.32 0.00 0.00 176.35 174.81 2jpe s ILE 86 N 1.24 4.77 -1.00 6.68 1.01 -0.01 -2.93 121.20 130.97 2jpe s ILE 86 Ca -0.00 0.12 -0.24 0.00 0.00 0.00 0.00 60.65 60.53 2jpe s ILE 86 Cb -0.19 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 37.96 2jpe s ILE 86 CO -0.09 -0.68 1.93 -0.62 0.00 0.00 0.00 174.94 175.49 2jpe s ASP 87 N 2.15 5.14 -1.10 3.58 -1.08 -1.25 -2.11 116.67 122.00 2jpe s ASP 87 Ca 0.24 -1.02 -0.26 0.00 -0.52 0.00 0.00 52.55 50.99 2jpe s ASP 87 Cb -0.14 -2.57 -0.19 0.00 -1.46 0.00 0.00 42.92 38.56 2jpe s ASP 87 CO 0.19 -2.82 2.08 -0.76 0.52 0.00 0.00 175.17 174.38 2jpe s LEU 88 N 10.25 2.52 -0.85 -1.34 1.43 -1.11 -1.95 118.68 127.62 2jpe s LEU 88 Ca 0.69 -1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 52.60 2jpe s LEU 88 Cb -0.05 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.59 2jpe s LEU 88 CO 0.04 -4.38 0.15 -0.46 0.23 0.00 0.00 176.35 171.93 2jpe n ASN 89 N 18.50 -0.55 -4.71 2.29 0.23 -1.24 -4.60 115.26 125.19 2jpe n ASN 89 Ca 0.42 -0.77 -0.41 0.00 -0.53 0.00 0.00 54.58 53.29 2jpe n ASN 89 Cb 0.47 -0.95 0.01 0.00 -2.08 0.00 0.00 39.78 37.23 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jpe n SER 90 N -1.34 2.73 -0.29 0.53 2.88 -1.24 -4.82 113.62 112.07 2jpe n SER 90 Ca -0.15 1.14 0.12 0.00 -1.33 0.00 0.00 58.87 58.65 2jpe n SER 90 Cb 0.39 -1.51 0.24 0.00 -0.75 0.00 0.00 64.21 62.57 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 -0.01 -0.35 0.00 2.46 5.66 -1.26 -3.66 114.28 117.12 2jpe n THR 91 Ca 0.06 1.86 0.00 0.00 -3.05 0.00 0.00 64.05 62.92 2jpe n THR 91 Cb 0.39 -2.70 0.00 0.00 -1.55 0.00 0.00 70.33 66.46 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 -5.23 0.00 0.00 1.09 8.25 -1.26 -5.12 115.22 112.96 2jpe n HIS 92 Ca 0.19 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.65 2jpe n HIS 92 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 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 2.51 1.67 3.43 -1.41 0.00 -1.24 -5.00 105.19 105.14 2jpe n GLY 93 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.74 2jpe n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jpe s THR 94 N -2.00 2.48 0.22 2.61 2.01 -1.26 0.14 115.64 119.84 2jpe s THR 94 Ca 0.00 -1.69 0.02 0.00 0.31 0.00 0.00 61.69 60.34 2jpe s THR 94 Cb 0.00 -2.12 -0.05 0.00 0.01 0.00 0.00 72.50 70.34 2jpe s THR 94 CO 0.00 0.08 0.03 -0.36 -0.69 0.00 0.00 174.62 173.67 2jpe s PHE 95 N -1.13 1.43 -0.57 4.92 0.40 0.12 -0.57 117.98 122.59 2jpe s PHE 95 Ca 0.16 -1.02 0.05 0.00 -0.60 0.00 0.00 56.93 55.51 2jpe s PHE 95 Cb -0.10 -0.83 0.36 0.00 0.51 0.00 0.00 43.02 42.96 2jpe s PHE 95 CO 0.08 -0.18 1.05 -0.11 0.70 0.00 0.00 175.22 176.76 2jpe n LEU 96 N -0.37 4.74 0.00 -0.37 7.94 0.96 -1.42 117.00 128.48 2jpe n LEU 96 Ca -0.04 -5.54 0.00 0.00 -1.11 0.00 0.00 56.01 49.32 2jpe n LEU 96 Cb 0.64 -0.57 0.00 0.00 0.53 0.00 0.00 43.42 44.02 2jpe n LEU 96 CO 0.36 2.30 0.00 0.61 -1.11 0.00 0.00 177.39 179.55 2jpe n GLY 97 N -0.31 2.13 0.27 -3.96 0.00 0.39 -3.87 105.19 99.85 2jpe n GLY 97 Ca 0.34 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.37 1.61 1.44 -1.26 -4.88 115.22 107.75 2jpe n HIS 98 Ca 0.00 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.43 2jpe n HIS 98 Cb 0.00 -0.02 -0.13 0.00 0.12 0.00 0.00 29.99 29.96 2jpe n HIS 98 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jpe s ILE 99 N 0.00 2.17 -0.08 0.61 1.01 -1.25 -5.14 121.20 118.53 2jpe s ILE 99 Ca 0.00 -1.74 -0.03 0.00 0.00 0.00 0.00 60.65 58.88 2jpe s ILE 99 Cb 0.00 -1.93 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2jpe s ILE 99 CO 0.00 0.05 0.06 0.00 0.00 0.00 0.00 174.94 175.05 2jpe s ARG 100 N -2.07 3.14 0.06 2.79 1.04 -1.26 -0.03 118.95 122.62 2jpe s ARG 100 Ca 0.13 -0.34 0.06 0.00 -1.04 0.00 0.00 55.73 54.54 2jpe s ARG 100 Cb -0.10 -2.93 -0.04 0.00 -2.04 0.00 0.00 34.95 29.85 2jpe s ARG 100 CO 0.06 0.71 -0.11 -0.51 -0.04 0.00 0.00 175.30 175.41 2jpe s LEU 101 N -1.14 2.98 0.47 -1.89 1.43 0.27 -4.92 118.68 115.88 2jpe s LEU 101 Ca 0.16 -0.33 -0.20 0.00 -1.03 0.00 0.00 54.13 52.73 2jpe s LEU 101 Cb -0.12 -1.76 -0.09 0.00 0.03 0.00 0.00 46.19 44.25 2jpe s LEU 101 CO 0.06 0.22 1.00 -1.61 0.23 0.00 0.00 176.35 176.25 2jpe s GLU 102 N -1.83 3.96 -0.97 1.70 2.02 -1.25 -4.33 118.70 117.99 2jpe s GLU 102 Ca 0.19 1.26 -0.07 0.00 0.02 0.00 0.00 54.97 56.37 2jpe s GLU 102 Cb -0.11 -2.13 -0.10 0.00 0.10 0.00 0.00 34.13 31.90 2jpe s GLU 102 CO 0.10 -0.28 2.56 -0.35 0.02 0.00 0.00 175.26 177.31 2jpe n PRO 103 N -0.88 2.52 0.00 0.39 -0.04 -1.26 -2.97 135.00 132.77 2jpe n PRO 103 Ca 0.08 -1.56 0.00 0.00 -0.04 0.00 0.00 63.50 61.98 2jpe n PRO 103 Cb 0.53 -2.45 0.00 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.66 0.00 -2.53 0.54 8.25 -0.82 -3.64 115.22 120.68 2jpe n HIS 104 Ca 0.54 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.57 2jpe n HIS 104 Cb 0.28 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.36 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 4.40 0.68 -0.41 1.02 -1.16 -4.74 119.74 119.53 2jpe s LYS 105 Ca 0.00 1.60 -0.11 0.00 0.02 0.00 0.00 55.97 57.48 2jpe s LYS 105 Cb 0.00 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.80 2jpe s LYS 105 CO 0.00 -0.35 1.06 -1.25 -0.92 0.00 0.00 175.35 173.88 2jpe s PRO 106 N 1.90 3.00 -0.14 -1.68 0.04 -1.26 -3.93 135.00 132.92 2jpe s PRO 106 Ca 0.54 0.98 -0.04 0.00 0.04 0.00 0.00 61.00 62.53 2jpe s PRO 106 Cb -0.24 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.36 2jpe s PRO 106 CO 0.23 -1.05 0.07 -1.14 0.04 0.00 0.00 177.00 175.15 2jpe s GLN 107 N -4.92 0.10 1.01 4.56 2.00 -1.15 -4.92 119.66 116.34 2jpe s GLN 107 Ca 0.59 0.00 -0.21 0.00 -2.00 0.00 0.00 55.36 53.74 2jpe s GLN 107 Cb -0.14 -1.52 -0.12 0.00 0.80 0.00 0.00 33.01 32.03 2jpe s GLN 107 CO 0.53 -0.57 -0.87 0.00 -0.50 0.00 0.00 175.29 173.87 2jpe n GLN 108 N 5.26 -0.20 -3.61 1.67 10.64 -1.26 -1.65 117.38 128.24 2jpe n GLN 108 Ca -0.06 -0.05 -0.25 0.00 -1.83 0.00 0.00 57.00 54.80 2jpe n GLN 108 Cb 0.49 -1.16 -0.17 0.00 -0.86 0.00 0.00 30.24 28.54 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 -0.10 0.75 -0.39 -1.09 0.58 -4.67 121.20 114.21 2jpe s ILE 109 Ca 0.42 -0.14 -0.11 0.00 -2.23 0.00 0.00 60.65 58.59 2jpe s ILE 109 Cb -0.07 -0.56 0.04 0.00 -1.58 0.00 0.00 42.46 40.29 2jpe s ILE 109 CO 0.73 -0.26 1.08 -2.16 -1.23 0.00 0.00 174.94 173.11 2jpe s PRO 110 N 2.15 2.46 0.55 2.79 0.04 -1.26 -3.40 135.00 138.33 2jpe s PRO 110 Ca 0.02 0.78 -0.20 0.00 0.04 0.00 0.00 61.00 61.65 2jpe s PRO 110 Cb -0.16 -1.95 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 2jpe s PRO 110 CO -0.09 -1.39 1.17 0.42 0.04 0.00 0.00 177.00 177.15 2jpe s ILE 111 N -3.11 2.93 -1.47 0.56 -1.09 -1.26 -2.10 121.20 115.66 2jpe s ILE 111 Ca 0.60 0.60 0.00 0.00 -2.23 0.00 0.00 60.65 59.61 2jpe s ILE 111 Cb -0.14 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.48 2jpe s ILE 111 CO 0.55 -0.10 0.00 0.47 -1.23 0.00 0.00 174.94 174.62 2jpe n ASP 112 N -1.27 -4.22 -2.50 3.58 10.43 0.49 -4.92 116.55 118.14 2jpe n ASP 112 Ca 0.12 0.34 0.00 0.00 2.57 0.00 0.00 54.79 57.82 2jpe n ASP 112 Cb 0.50 -3.67 0.00 0.00 1.84 0.00 0.00 41.12 39.79 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 -0.70 -0.98 -3.67 -2.24 2.88 -0.89 -4.84 113.62 103.17 2jpe n SER 113 Ca -0.14 -0.50 -0.08 0.00 -1.33 0.00 0.00 58.87 56.82 2jpe n SER 113 Cb 0.50 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.87 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 -0.99 -0.15 0.46 2.46 2.01 -1.26 -3.78 115.64 114.40 2jpe s THR 114 Ca 0.00 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.08 2jpe s THR 114 Cb 0.00 -0.77 -0.00 0.00 0.01 0.00 0.00 72.50 71.73 2jpe s THR 114 CO 0.00 0.03 0.04 1.33 -0.69 0.00 0.00 174.62 175.33 2jpe n VAL 115 N 4.48 0.00 -3.26 3.82 0.24 -0.79 0.15 118.33 122.98 2jpe n VAL 115 Ca -0.20 -2.32 0.03 0.00 -2.04 0.00 0.00 64.34 59.81 2jpe n VAL 115 Cb 0.55 0.57 -0.03 0.00 -1.47 0.00 0.00 33.84 33.47 2jpe n VAL 115 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2jpe s SER 116 N -3.63 -0.65 1.05 -1.34 1.04 -0.51 -3.22 113.70 106.44 2jpe s SER 116 Ca 0.06 0.60 -0.08 0.00 0.48 0.00 0.00 55.95 57.01 2jpe s SER 116 Cb 0.00 1.62 0.11 0.00 0.10 0.00 0.00 66.02 67.86 2jpe s SER 116 CO 0.04 -0.12 0.53 0.49 0.98 0.00 0.00 173.24 175.15 2jpe n PHE 117 N 5.26 -3.70 -0.07 5.02 3.01 -1.26 -0.70 117.46 125.01 2jpe n PHE 117 Ca -0.07 -0.47 -0.20 0.00 1.01 0.00 0.00 57.45 57.72 2jpe n PHE 117 Cb 0.53 -0.47 -0.12 0.00 -0.01 0.00 0.00 39.48 39.41 2jpe n PHE 117 CO 0.00 0.00 0.00 0.78 1.01 0.00 0.00 176.76 178.55 2jpe h GLY 118 N -1.10 0.06 0.00 1.37 0.00 -0.69 -3.14 103.07 99.57 2jpe h GLY 118 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 46.99 2jpe h GLY 118 CO 0.12 0.14 0.00 0.00 0.00 0.00 0.00 176.54 176.80 2jpe n ALA 119 N -3.15 0.00 -0.04 3.60 0.00 -1.26 -4.31 120.51 115.35 2jpe n ALA 119 Ca -0.26 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.07 2jpe n ALA 119 Cb 0.69 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.10 2jpe n ALA 119 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jpe h SER 120 N 0.00 0.23 -2.11 0.00 0.02 -1.93 -3.47 113.55 106.29 2jpe h SER 120 Ca 0.00 -0.08 -0.28 0.00 -0.84 0.00 0.00 61.79 60.59 2jpe h SER 120 Cb 0.00 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.47 2jpe h SER 120 CO 0.00 0.25 -0.36 0.35 -1.14 0.00 0.00 176.83 175.93 2jpe n THR 121 N -4.90 -0.74 0.00 -2.27 -2.24 -1.19 -4.90 114.28 98.04 2jpe n THR 121 Ca -0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 2jpe n THR 121 Cb 0.07 -2.21 0.00 0.00 -2.10 0.00 0.00 70.33 66.09 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 -2.40 -0.83 -2.75 -0.78 5.12 -1.26 -4.41 116.66 109.35 2jpe n ARG 122 Ca -0.15 0.00 -0.24 0.00 -1.93 0.00 0.00 57.85 55.52 2jpe n ARG 122 Cb 0.62 0.00 -0.02 0.00 -1.16 0.00 0.00 32.46 31.90 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 -2.25 4.47 -1.42 7.54 0.00 0.42 -3.64 120.51 125.63 2jpe n ALA 123 Ca 0.00 -4.28 -0.49 0.00 0.00 0.00 0.00 53.44 48.66 2jpe n ALA 123 Cb 0.00 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 18.66 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 -0.27 1.27 -3.31 0.00 4.01 -1.20 -3.42 117.16 114.24 2jpe n TYR 124 Ca 0.32 0.39 -0.47 0.00 -0.16 0.00 0.00 57.90 57.98 2jpe n TYR 124 Cb 0.56 -2.46 -0.02 0.00 -0.31 0.00 0.00 39.34 37.11 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 7.93 5.52 -0.29 -0.72 2.01 -1.05 -1.88 115.64 127.15 2jpe s THR 125 Ca 1.16 -2.30 -0.28 0.00 0.31 0.00 0.00 61.69 60.59 2jpe s THR 125 Cb -1.01 -4.47 -0.04 0.00 0.01 0.00 0.00 72.50 66.99 2jpe s THR 125 CO 0.50 -1.03 2.15 -0.22 -0.69 0.00 0.00 174.62 175.33 2jpe s LEU 126 N 0.48 3.44 0.00 4.42 1.98 -1.25 -3.74 118.68 124.01 2jpe s LEU 126 Ca 0.17 1.60 0.03 0.00 -2.89 0.00 0.00 54.13 53.03 2jpe s LEU 126 Cb -0.13 -3.34 0.05 0.00 0.66 0.00 0.00 46.19 43.43 2jpe s LEU 126 CO -0.07 -2.06 0.37 -1.14 -1.89 0.00 0.00 176.35 171.56 2jpe n ARG 127 N 8.75 0.66 -3.21 1.98 3.00 -1.05 0.19 116.66 126.97 2jpe n ARG 127 Ca 0.29 -1.29 -0.00 0.00 -0.00 0.00 0.00 57.85 56.84 2jpe n ARG 127 Cb 0.47 -0.16 -0.03 0.00 0.00 0.00 0.00 32.46 32.74 2jpe n ARG 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jpe s GLU 128 N -3.27 0.50 -0.85 -0.14 2.12 -1.26 -3.95 118.70 111.85 2jpe s GLU 128 Ca 0.27 0.67 -0.23 0.00 0.36 0.00 0.00 54.97 56.04 2jpe s GLU 128 Cb -0.02 0.15 -0.21 0.00 0.26 0.00 0.00 34.13 34.32 2jpe s GLU 128 CO 0.17 -0.80 2.22 1.63 -0.54 0.00 0.00 175.26 177.94 2jpe n LYS 129 N 5.40 0.00 0.00 4.30 5.02 0.20 -4.84 118.16 128.24 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 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 6.77 0.66 -1.47 1.97 -0.04 -1.26 -4.79 135.00 136.83 2jpe n PRO 130 Ca 0.57 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.60 2jpe n PRO 130 Cb 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 2jpe n PRO 130 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jpe n GLN 131 N -0.29 0.64 0.00 0.54 7.27 -1.26 -5.14 117.38 119.15 2jpe n GLN 131 Ca 0.00 0.23 0.00 0.00 0.07 0.00 0.00 57.00 57.30 2jpe n GLN 131 Cb 0.00 -1.52 0.00 0.00 2.41 0.00 0.00 30.24 31.13 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76