#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpe n ALA 2 N 0.00 0.84 -3.54 3.04 0.00 -1.26 -4.90 120.51 114.70 2jpe n ALA 2 Ca 0.00 -0.66 -0.27 0.00 0.00 0.00 0.00 53.44 52.51 2jpe n ALA 2 Cb 0.00 -2.95 -0.17 0.00 0.00 0.00 0.00 19.45 16.33 2jpe n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe s ALA 3 N 10.76 1.50 -0.28 0.00 0.00 -1.26 -5.01 121.76 127.47 2jpe s ALA 3 Ca 1.06 -0.59 0.17 0.00 0.00 0.00 0.00 51.96 52.61 2jpe s ALA 3 Cb -0.45 -0.71 0.49 0.00 0.00 0.00 0.00 23.12 22.45 2jpe s ALA 3 CO 0.33 0.03 1.11 0.00 0.00 0.00 0.00 175.76 177.23 2jpe n ALA 4 N 4.00 3.42 0.03 0.00 0.00 -1.26 -4.87 120.51 121.84 2jpe n ALA 4 Ca -0.20 -3.14 0.00 0.00 0.00 0.00 0.00 53.44 50.10 2jpe n ALA 4 Cb 0.52 -0.73 0.00 0.00 0.00 0.00 0.00 19.45 19.24 2jpe n ALA 4 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2jpe n VAL 5 N -0.56 0.20 -3.69 0.00 0.31 -1.26 -5.09 118.33 108.24 2jpe n VAL 5 Ca 0.18 0.06 -0.18 0.00 -0.01 0.00 0.00 64.34 64.40 2jpe n VAL 5 Cb 0.84 -0.70 -0.17 0.00 -0.91 0.00 0.00 33.84 32.90 2jpe n VAL 5 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2jpe s ASN 6 N -4.83 0.83 -0.18 4.52 0.02 -1.26 -5.10 114.94 108.93 2jpe s ASN 6 Ca 0.00 0.15 -0.34 0.00 -1.02 0.00 0.00 52.86 51.64 2jpe s ASN 6 Cb 0.00 -0.01 -0.11 0.00 0.02 0.00 0.00 41.25 41.14 2jpe s ASN 6 CO 0.00 -0.23 1.97 -1.54 0.02 0.00 0.00 177.10 177.33 2jpe n SER 7 N 5.10 3.03 0.00 -1.22 3.41 -1.26 -4.75 113.62 117.93 2jpe n SER 7 Ca -0.08 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.31 2jpe n SER 7 Cb 0.50 -1.34 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2jpe n SER 7 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jpe n GLY 8 N 5.01 3.30 2.63 5.00 0.00 -1.26 -5.04 105.19 114.84 2jpe n GLY 8 Ca 0.28 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 5.56 -2.09 1.61 3.41 -1.26 -5.00 113.62 115.85 2jpe n SER 9 Ca 0.00 -3.75 -0.08 0.00 -0.26 0.00 0.00 58.87 54.78 2jpe n SER 9 Cb 0.00 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 2jpe n SER 9 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2jpe n SER 10 N -0.48 -0.70 -4.28 4.04 7.64 -1.26 -5.14 113.62 113.44 2jpe n SER 10 Ca 0.43 -2.04 -0.36 0.00 1.01 0.00 0.00 58.87 57.91 2jpe n SER 10 Cb 0.52 1.32 0.07 0.00 -1.01 0.00 0.00 64.21 65.10 2jpe n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jpe n LEU 11 N 0.00 -2.11 0.00 -3.43 -0.00 -1.26 -4.98 117.00 105.22 2jpe n LEU 11 Ca 0.01 0.41 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 2jpe n LEU 11 Cb 0.32 -1.03 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 2jpe n LEU 11 CO 0.16 -4.36 0.00 -0.81 -0.00 0.00 0.00 177.39 172.38 2jpe n PRO 12 N 0.28 0.96 -0.03 1.47 -0.04 -1.26 -5.02 135.00 131.35 2jpe n PRO 12 Ca 0.05 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.50 2jpe n PRO 12 Cb 0.52 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.91 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 -3.72 1.53 -0.00 -1.26 -5.07 117.00 108.48 2jpe n LEU 13 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 56.01 55.95 2jpe n LEU 13 Cb 0.00 0.15 -0.02 0.00 -0.00 0.00 0.00 43.42 43.55 2jpe n LEU 13 CO 0.00 0.15 0.61 0.12 -0.00 0.00 0.00 177.39 178.27 2jpe s PHE 14 N -2.40 -0.22 -0.13 1.47 5.36 -1.26 -4.91 117.98 115.89 2jpe s PHE 14 Ca -0.04 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 55.81 2jpe s PHE 14 Cb 0.04 0.64 0.04 0.00 -0.34 0.00 0.00 43.02 43.40 2jpe s PHE 14 CO 0.40 -0.91 -0.00 0.34 -1.46 0.00 0.00 175.22 173.58 2jpe s ASP 15 N -2.85 2.30 0.23 6.13 -1.08 -1.26 -5.12 116.67 115.01 2jpe s ASP 15 Ca 0.10 -0.45 -0.30 0.00 -0.52 0.00 0.00 52.55 51.38 2jpe s ASP 15 Cb -0.03 -0.61 -0.09 0.00 -1.46 0.00 0.00 42.92 40.73 2jpe s ASP 15 CO 0.00 -0.22 1.24 0.00 0.52 0.00 0.00 175.17 176.71 2jpe n PRO 17 N 2.07 0.75 -0.00 0.00 -0.04 -1.26 -5.01 135.00 131.51 2jpe n PRO 17 Ca 0.03 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 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 -0.59 0.09 1.05 0.52 5.66 -1.26 -4.43 114.28 115.31 2jpe n THR 18 Ca 0.00 -0.54 0.12 0.00 -3.05 0.00 0.00 64.05 60.57 2jpe n THR 18 Cb 0.00 1.01 0.09 0.00 -1.55 0.00 0.00 70.33 69.88 2jpe n THR 18 CO 0.00 0.00 0.00 -2.67 -3.05 0.00 0.00 175.07 169.35 2jpe n TRP 19 N 0.12 0.00 -2.54 1.09 4.27 -1.26 -4.92 117.44 114.20 2jpe n TRP 19 Ca 0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.22 2jpe n TRP 19 Cb 0.09 -0.01 -0.04 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 -2.29 3.38 0.00 -1.67 0.00 -1.26 -0.72 121.76 119.20 2jpe s ALA 20 Ca 0.23 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.01 2jpe s ALA 20 Cb 0.19 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2jpe s ALA 20 CO 0.46 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.52 2jpe n GLY 21 N 1.55 2.31 3.10 0.00 0.00 -1.17 -4.83 105.19 106.15 2jpe n GLY 21 Ca 0.00 -0.17 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 2.46 0.29 0.38 1.61 2.36 -1.26 -4.49 119.74 121.10 2jpe s LYS 22 Ca 0.00 0.81 -0.25 0.00 -2.55 0.00 0.00 55.97 53.98 2jpe s LYS 22 Cb 0.00 -0.02 -0.09 0.00 -1.05 0.00 0.00 37.83 36.67 2jpe s LYS 22 CO 0.00 -0.38 1.06 -1.25 1.55 0.00 0.00 175.35 176.33 2jpe s PRO 23 N 2.55 4.23 0.68 4.03 0.04 -1.26 -5.04 135.00 140.23 2jpe s PRO 23 Ca 0.03 1.56 -0.12 0.00 0.04 0.00 0.00 61.00 62.52 2jpe s PRO 23 Cb -0.13 -2.64 0.00 0.00 0.04 0.00 0.00 34.50 31.77 2jpe s PRO 23 CO -0.13 -0.09 1.06 -1.25 0.04 0.00 0.00 177.00 176.63 2jpe s PRO 24 N -2.33 3.01 -1.13 0.56 0.04 -1.26 -4.61 135.00 129.28 2jpe s PRO 24 Ca 0.56 0.99 -0.19 0.00 0.04 0.00 0.00 61.00 62.40 2jpe s PRO 24 Cb -0.24 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.25 2jpe s PRO 24 CO 0.30 -1.05 2.03 -0.35 0.04 0.00 0.00 177.00 177.97 2jpe n PRO 25 N -2.96 2.20 -0.85 0.56 -0.04 -1.26 -3.65 135.00 129.00 2jpe n PRO 25 Ca 0.08 -2.33 -0.03 0.00 -0.04 0.00 0.00 63.50 61.17 2jpe n PRO 25 Cb 0.53 -3.19 -0.02 0.00 -0.04 0.00 0.00 33.50 30.78 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 4.56 0.01 3.32 0.55 0.00 -1.26 -5.04 105.19 107.32 2jpe n GLY 26 Ca 0.50 -0.01 -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 -0.17 2.44 -0.27 0.99 1.43 -1.24 0.86 118.68 122.72 2jpe s LEU 27 Ca 0.00 -1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 51.73 2jpe s LEU 27 Cb 0.02 -0.44 0.17 0.00 0.03 0.00 0.00 46.19 45.97 2jpe s LEU 27 CO -0.01 -0.34 1.29 -1.38 0.23 0.00 0.00 176.35 176.14 2jpe s HIS 28 N -3.23 -0.14 0.39 0.29 -3.43 -1.25 -3.90 115.29 104.03 2jpe s HIS 28 Ca 0.23 0.28 -0.03 0.00 -0.80 0.00 0.00 55.06 54.74 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 0.54 1.28 -2.00 0.00 0.00 174.74 174.51 2jpe n LEU 29 N 1.01 0.00 -3.75 5.38 4.77 0.50 -2.23 117.00 122.68 2jpe n LEU 29 Ca -0.06 -0.92 -0.04 0.00 -0.03 0.00 0.00 56.01 54.96 2jpe n LEU 29 Cb 0.58 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 41.28 2jpe n LEU 29 CO 0.07 -0.81 0.69 -1.81 -1.33 0.00 0.00 177.39 174.19 2jpe s ASP 30 N -3.10 -0.20 -0.04 -1.43 1.11 -1.22 -2.58 116.67 109.21 2jpe s ASP 30 Ca 0.34 -0.40 -0.07 0.00 0.18 0.00 0.00 52.55 52.59 2jpe s ASP 30 Cb -0.02 0.51 0.01 0.00 1.07 0.00 0.00 42.92 44.50 2jpe s ASP 30 CO 0.23 -0.94 0.17 -0.69 1.18 0.00 0.00 175.17 175.11 2jpe s VAL 31 N -3.36 0.03 -0.05 -1.27 1.01 -0.80 -2.98 120.40 112.99 2jpe s VAL 31 Ca 0.12 -0.27 -0.04 0.00 0.00 0.00 0.00 61.98 61.79 2jpe s VAL 31 Cb -0.02 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 36.05 2jpe s VAL 31 CO 0.02 -0.15 0.12 -0.69 0.00 0.00 0.00 175.10 174.41 2jpe s VAL 32 N -0.49 -0.01 -0.86 2.92 1.01 -1.24 0.22 120.40 121.95 2jpe s VAL 32 Ca -0.06 0.05 0.27 0.00 0.00 0.00 0.00 61.98 62.25 2jpe s VAL 32 Cb -0.04 -0.19 0.22 0.00 0.00 0.00 0.00 36.38 36.37 2jpe s VAL 32 CO 0.01 0.02 1.76 2.29 0.00 0.00 0.00 175.10 179.18 2jpe n LYS 33 N 3.37 0.13 0.00 2.72 2.85 -1.01 0.20 118.16 126.42 2jpe n LYS 33 Ca -0.17 0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.18 2jpe n LYS 33 Cb 0.57 -1.64 0.00 0.00 -0.65 0.00 0.00 35.03 33.31 2jpe n LYS 33 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2jpe n GLY 34 N 1.41 -1.09 0.38 2.58 0.00 -1.26 -4.81 105.19 102.40 2jpe n GLY 34 Ca 0.06 0.46 0.02 0.00 0.00 0.00 0.00 46.02 46.56 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 0.48 -3.72 1.61 5.75 -1.26 -5.00 116.55 114.42 2jpe n ASP 35 Ca 0.00 -2.15 -0.19 0.00 -0.01 0.00 0.00 54.79 52.44 2jpe n ASP 35 Cb 0.00 -0.23 -0.17 0.00 -1.03 0.00 0.00 41.12 39.69 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 -0.57 0.04 -0.05 0.11 2.20 -1.26 -5.11 119.74 115.11 2jpe s LYS 36 Ca 0.06 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 2jpe s LYS 36 Cb 0.05 -0.51 -0.07 0.00 -1.51 0.00 0.00 37.83 35.80 2jpe s LYS 36 CO 0.01 -0.27 1.83 -1.17 -0.36 0.00 0.00 175.35 175.38 2jpe s LEU 37 N 1.81 4.25 0.00 5.43 1.98 -1.26 -2.40 118.68 128.48 2jpe s LEU 37 Ca 0.01 2.32 0.00 0.00 -2.89 0.00 0.00 54.13 53.57 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 -0.03 -1.10 0.12 -0.38 -1.89 0.00 0.00 176.35 173.07 2jpe n ILE 38 N 5.80 0.00 -4.19 6.68 2.08 0.13 -4.95 119.36 124.91 2jpe n ILE 38 Ca 0.20 0.58 -0.11 0.00 0.56 0.00 0.00 62.75 63.98 2jpe n ILE 38 Cb 0.43 -1.51 -0.04 0.00 -0.75 0.00 0.00 39.64 37.77 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 -1.88 0.48 -4.00 0.38 0.28 -1.23 -5.01 120.64 109.66 2jpe n GLU 39 Ca 0.00 -1.64 -0.09 0.00 -0.16 0.00 0.00 57.16 55.26 2jpe n GLU 39 Cb 0.00 1.12 -0.11 0.00 1.43 0.00 0.00 31.44 33.88 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 -2.70 0.37 0.16 3.44 2.20 -1.26 -1.91 119.74 120.04 2jpe s LYS 40 Ca 0.15 -0.70 -0.01 0.00 -0.36 0.00 0.00 55.97 55.05 2jpe s LYS 40 Cb 0.01 0.06 -0.04 0.00 -1.51 0.00 0.00 37.83 36.35 2jpe s LYS 40 CO 0.10 -0.04 0.08 -0.51 -0.36 0.00 0.00 175.35 174.63 2jpe s LEU 41 N -1.64 1.54 0.06 5.43 1.43 -1.07 -4.92 118.68 119.52 2jpe s LEU 41 Ca -0.13 -1.28 0.05 0.00 -1.03 0.00 0.00 54.13 51.74 2jpe s LEU 41 Cb -0.08 0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.41 2jpe s LEU 41 CO -0.02 -0.77 -0.06 -0.63 0.23 0.00 0.00 176.35 175.10 2jpe s ILE 42 N -4.07 3.63 -0.00 -0.59 1.09 -1.26 0.19 121.20 120.18 2jpe s ILE 42 Ca 0.30 -1.02 0.00 0.00 -1.10 0.00 0.00 60.65 58.83 2jpe s ILE 42 Cb 0.07 -2.66 0.01 0.00 -1.06 0.00 0.00 42.46 38.82 2jpe s ILE 42 CO 0.06 0.22 0.70 2.30 -0.10 0.00 0.00 174.94 178.12 2jpe n ILE 43 N 0.98 0.06 -2.49 2.92 -6.64 -1.26 -4.59 119.36 108.36 2jpe n ILE 43 Ca -0.13 -0.07 -0.36 0.00 -1.77 0.00 0.00 62.75 60.42 2jpe n ILE 43 Cb 0.52 0.79 0.01 0.00 -1.44 0.00 0.00 39.64 39.52 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 -0.04 6.40 0.00 7.28 5.68 -1.25 -4.44 116.55 130.18 2jpe n ASP 44 Ca 0.00 -3.73 0.00 0.00 -0.50 0.00 0.00 54.79 50.56 2jpe n ASP 44 Cb 0.57 -0.91 0.00 0.00 -1.14 0.00 0.00 41.12 39.64 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 -0.29 0.00 -2.44 0.11 1.02 -1.26 -4.65 120.64 113.13 2jpe n GLU 45 Ca 0.44 0.00 -0.08 0.00 -0.02 0.00 0.00 57.16 57.50 2jpe n GLU 45 Cb 0.34 -0.11 -0.01 0.00 -0.02 0.00 0.00 31.44 31.64 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 -2.25 1.46 0.00 3.49 -0.00 -1.26 -4.88 118.16 114.72 2jpe n LYS 46 Ca 0.00 -0.99 0.01 0.00 -0.00 0.00 0.00 58.31 57.33 2jpe n LYS 46 Cb 0.00 0.19 0.00 0.00 -0.00 0.00 0.00 35.03 35.22 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 -0.61 0.65 -3.59 -1.58 -0.00 -1.26 -4.14 118.16 107.63 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 -0.93 -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 -0.30 -0.91 0.00 5.58 -0.85 -1.26 0.16 117.35 119.76 2jpe s TYR 48 Ca 0.01 1.70 0.00 0.00 -0.52 0.00 0.00 57.07 58.26 2jpe s TYR 48 Cb 0.01 0.55 0.00 0.00 0.38 0.00 0.00 41.96 42.90 2jpe s TYR 48 CO 0.02 -0.45 0.00 0.66 -1.52 0.00 0.00 175.55 174.26 2jpe n TYR 49 N 4.58 0.00 -4.40 -3.49 4.01 0.65 -4.94 117.16 113.57 2jpe n TYR 49 Ca -0.15 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.39 2jpe n TYR 49 Cb 0.55 0.00 -0.10 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 -2.03 118.68 125.74 2jpe s LEU 50 Ca 0.00 -1.46 -0.01 0.00 0.02 0.00 0.00 54.13 52.68 2jpe s LEU 50 Cb 0.00 -0.13 0.19 0.00 0.02 0.00 0.00 46.19 46.27 2jpe s LEU 50 CO 0.00 -0.74 0.66 -0.36 0.02 0.00 0.00 176.35 175.92 2jpe s PHE 51 N -3.47 -1.52 0.00 0.29 0.08 0.36 -3.96 117.98 109.77 2jpe s PHE 51 Ca 0.35 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.82 2jpe s PHE 51 Cb 0.07 0.46 0.00 0.00 -0.57 0.00 0.00 43.02 42.98 2jpe s PHE 51 CO 0.15 -0.85 0.00 0.41 -0.10 0.00 0.00 175.22 174.83 2jpe n GLY 52 N 5.42 -0.12 0.51 4.36 0.00 -1.25 1.00 105.19 115.12 2jpe n GLY 52 Ca -0.00 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.49 2jpe n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpe n ARG 53 N 0.00 0.00 -2.63 1.61 1.74 -0.93 0.25 116.66 116.70 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 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 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 -1.51 6.68 0.49 0.55 3.04 -1.22 -4.77 114.94 118.20 2jpe s ASN 54 Ca 0.00 0.56 0.28 0.00 0.04 0.00 0.00 52.86 53.74 2jpe s ASN 54 Cb 0.00 -2.54 0.84 0.00 -1.54 0.00 0.00 41.25 38.01 2jpe s ASN 54 CO 0.00 -1.16 1.79 1.55 -3.04 0.00 0.00 177.10 176.25 2jpe h PRO 55 N 8.97 0.00 0.00 0.43 0.13 -1.78 0.12 132.00 139.87 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 1.10 0.03 0.00 0.22 -0.23 0.00 0.00 178.00 179.12 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 -0.00 -1.94 -3.16 116.42 112.76 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 0.77 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.10 2jpe h ASP 56 CO 0.00 0.00 -0.83 0.18 -0.00 0.00 0.00 179.24 178.60 2jpe n LEU 57 N -2.43 0.90 -4.96 2.28 4.77 -1.09 -5.06 117.00 111.41 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 0.06 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2jpe n LEU 57 CO 0.13 0.10 0.35 0.00 -1.33 0.00 0.00 177.39 176.63 2jpe n ASP 59 N -2.26 0.95 -1.96 0.00 9.92 -1.26 -4.15 116.55 117.79 2jpe n ASP 59 Ca 0.05 0.20 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 2jpe n ASP 59 Cb 0.59 0.07 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 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 -3.06 -1.72 -3.66 1.24 3.01 -1.25 -4.97 117.46 107.05 2jpe n PHE 60 Ca -0.27 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.10 2jpe n PHE 60 Cb 1.08 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 40.45 2jpe n PHE 60 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2jpe s THR 61 N 0.19 -0.54 0.30 4.37 -4.23 -1.26 -4.42 115.64 110.06 2jpe s THR 61 Ca 0.00 0.15 0.11 0.00 -1.18 0.00 0.00 61.69 60.77 2jpe s THR 61 Cb 0.00 -0.67 0.01 0.00 1.34 0.00 0.00 72.50 73.18 2jpe s THR 61 CO 0.00 0.06 1.68 0.40 -0.54 0.00 0.00 174.62 176.22 2jpe h ILE 62 N 6.04 1.39 -5.02 2.99 2.04 -0.52 -3.47 117.51 120.97 2jpe h ILE 62 Ca -0.20 -1.87 0.00 0.00 1.00 0.00 0.00 64.86 63.79 2jpe h ILE 62 Cb 1.12 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 39.21 2jpe h ILE 62 CO 0.15 0.53 -0.09 -0.67 0.00 0.00 0.00 178.15 178.07 2jpe n ASP 63 N -3.89 -7.01 -3.69 1.72 2.03 -1.25 -5.03 116.55 99.43 2jpe n ASP 63 Ca -0.01 0.05 -0.08 0.00 0.52 0.00 0.00 54.79 55.27 2jpe n ASP 63 Cb 0.55 -4.72 -0.02 0.00 -0.72 0.00 0.00 41.12 36.21 2jpe n ASP 63 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2jpe s HIS 64 N -2.87 -0.30 -0.12 -0.67 2.46 -1.26 -5.06 115.29 107.48 2jpe s HIS 64 Ca 0.05 -0.04 0.04 0.00 0.47 0.00 0.00 55.06 55.58 2jpe s HIS 64 Cb -0.01 0.64 -0.24 0.00 -0.13 0.00 0.00 32.58 32.84 2jpe s HIS 64 CO 0.65 -1.01 0.36 0.00 -2.47 0.00 0.00 174.74 172.27 2jpe n GLN 65 N -0.42 0.69 -0.05 2.88 10.64 -1.26 -4.30 117.38 125.57 2jpe n GLN 65 Ca -0.09 0.23 -0.12 0.00 -1.83 0.00 0.00 57.00 55.19 2jpe n GLN 65 Cb 0.61 -1.69 -0.07 0.00 -0.86 0.00 0.00 30.24 28.23 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 0.03 0.29 -1.97 2.61 0.02 -1.97 -3.44 113.55 109.11 2jpe h SER 66 Ca -0.41 -0.38 -0.29 0.00 -0.84 0.00 0.00 61.79 59.88 2jpe h SER 66 Cb 2.04 -0.08 0.16 0.00 0.14 0.00 0.00 62.40 64.66 2jpe h SER 66 CO 0.06 0.60 -0.61 0.00 -1.14 0.00 0.00 176.83 175.73 2jpe s SER 68 N -1.88 1.20 0.23 0.00 0.15 -1.26 -4.99 113.70 107.14 2jpe s SER 68 Ca 0.40 -1.18 -0.10 0.00 0.70 0.00 0.00 55.95 55.77 2jpe s SER 68 Cb -0.06 0.12 0.32 0.00 -1.71 0.00 0.00 66.02 64.69 2jpe s SER 68 CO 0.42 -0.58 1.36 0.54 1.20 0.00 0.00 173.24 176.18 2jpe n ARG 69 N -0.25 -0.13 -3.29 5.44 3.00 -1.26 -1.63 116.66 118.54 2jpe n ARG 69 Ca -0.06 1.35 -0.26 0.00 -0.01 0.00 0.00 57.85 58.87 2jpe n ARG 69 Cb 0.63 -2.01 -0.07 0.00 0.00 0.00 0.00 32.46 31.01 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 -5.36 1.60 -0.21 1.55 0.31 -1.26 -2.18 118.33 112.77 2jpe n VAL 70 Ca 0.12 -4.95 0.02 0.00 -0.01 0.00 0.00 64.34 59.52 2jpe n VAL 70 Cb 0.40 -1.89 0.13 0.00 -0.91 0.00 0.00 33.84 31.57 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 3.92 0.23 -2.06 3.52 2.76 0.04 -3.43 115.15 120.13 2jpe h HIS 71 Ca 0.16 0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.40 2jpe h HIS 71 Cb 0.71 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.66 2jpe h HIS 71 CO 0.64 -0.04 0.17 0.00 -1.30 0.00 0.00 177.93 177.39 2jpe n ALA 72 N -2.62 -0.82 -3.19 5.26 0.00 0.28 -3.05 120.51 116.37 2jpe n ALA 72 Ca 0.10 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 2jpe n ALA 72 Cb 0.36 0.25 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 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 -1.36 -0.87 0.17 0.00 0.00 -0.79 0.14 121.76 119.05 2jpe s ALA 73 Ca 0.07 0.32 0.04 0.00 0.00 0.00 0.00 51.96 52.39 2jpe s ALA 73 Cb -0.01 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.24 2jpe s ALA 73 CO 0.03 -0.33 0.26 -1.17 0.00 0.00 0.00 175.76 174.54 2jpe s LEU 74 N -1.59 4.20 -0.17 0.00 0.20 -0.86 -0.42 118.68 120.04 2jpe s LEU 74 Ca -0.10 0.07 -0.06 0.00 0.69 0.00 0.00 54.13 54.72 2jpe s LEU 74 Cb -0.03 -2.77 0.08 0.00 -0.43 0.00 0.00 46.19 43.04 2jpe s LEU 74 CO 0.02 0.03 0.36 -0.69 -0.29 0.00 0.00 176.35 175.78 2jpe s VAL 75 N -1.80 -0.47 -0.47 1.68 1.01 -0.14 -0.25 120.40 119.96 2jpe s VAL 75 Ca 0.34 0.19 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 2jpe s VAL 75 Cb -0.10 -0.58 0.03 0.00 0.00 0.00 0.00 36.38 35.73 2jpe s VAL 75 CO 0.27 0.08 0.83 -0.47 0.00 0.00 0.00 175.10 175.82 2jpe s TYR 76 N 2.33 2.95 0.69 5.22 5.04 0.12 0.63 117.35 134.33 2jpe s TYR 76 Ca -0.02 0.17 -0.16 0.00 -2.44 0.00 0.00 57.07 54.62 2jpe s TYR 76 Cb -0.11 -3.78 0.02 0.00 0.35 0.00 0.00 41.96 38.43 2jpe s TYR 76 CO -0.11 -1.06 1.21 -1.58 -1.34 0.00 0.00 175.55 172.67 2jpe s HIS 77 N 3.47 2.15 -0.10 4.97 2.46 0.37 -3.06 115.29 125.55 2jpe s HIS 77 Ca 0.31 1.57 -0.01 0.00 0.47 0.00 0.00 55.06 57.40 2jpe s HIS 77 Cb -0.12 -3.49 -0.06 0.00 -0.13 0.00 0.00 32.58 28.78 2jpe s HIS 77 CO 0.23 -2.53 -0.10 0.36 -2.47 0.00 0.00 174.74 170.22 2jpe n LYS 78 N -2.38 0.24 0.08 2.88 2.85 0.10 -2.95 118.16 118.98 2jpe n LYS 78 Ca 0.14 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.58 2jpe n LYS 78 Cb 0.50 -1.10 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 -2.99 0.53 -0.02 5.58 8.25 -1.26 -2.91 115.22 122.41 2jpe n HIS 79 Ca -0.19 0.19 -0.01 0.00 -0.26 0.00 0.00 57.72 57.46 2jpe n HIS 79 Cb 0.68 -0.81 -0.04 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.97 0.00 -2.03 2.41 4.77 -1.26 -5.02 117.00 113.90 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 0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2jpe n LEU 80 CO 0.21 0.09 0.04 0.29 -1.33 0.00 0.00 177.39 176.69 2jpe n LYS 81 N -2.05 -3.50 -1.27 3.23 4.01 -1.14 -5.01 118.16 112.44 2jpe n LYS 81 Ca -0.06 0.53 0.00 0.00 -0.51 0.00 0.00 58.31 58.27 2jpe n LYS 81 Cb 0.51 -4.61 0.00 0.00 -0.51 0.00 0.00 35.03 30.42 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 -2.85 1.06 -4.48 1.97 1.74 -1.18 -4.94 116.66 107.98 2jpe n ARG 82 Ca -0.05 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.77 2jpe n ARG 82 Cb 0.56 0.00 -0.10 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 -1.11 2.29 0.04 1.55 1.01 -1.21 0.14 120.40 123.11 2jpe s VAL 83 Ca 0.00 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 59.82 2jpe s VAL 83 Cb 0.00 -2.79 0.01 0.00 0.00 0.00 0.00 36.38 33.60 2jpe s VAL 83 CO 0.00 -0.14 0.21 -0.36 0.00 0.00 0.00 175.10 174.81 2jpe s PHE 84 N -2.61 0.04 -0.28 5.22 0.40 0.20 0.23 117.98 121.18 2jpe s PHE 84 Ca 0.34 -0.26 0.01 0.00 -0.60 0.00 0.00 56.93 56.43 2jpe s PHE 84 Cb 0.04 -0.02 0.08 0.00 0.51 0.00 0.00 43.02 43.63 2jpe s PHE 84 CO 0.18 -0.44 0.02 -1.17 0.70 0.00 0.00 175.22 174.50 2jpe s LEU 85 N -2.10 2.97 -0.45 -0.37 2.96 -0.37 -0.96 118.68 120.36 2jpe s LEU 85 Ca -0.05 -1.53 -0.23 0.00 -0.22 0.00 0.00 54.13 52.11 2jpe s LEU 85 Cb -0.01 -1.18 0.03 0.00 0.50 0.00 0.00 46.19 45.52 2jpe s LEU 85 CO -0.04 -0.32 0.76 -0.63 -1.32 0.00 0.00 176.35 174.80 2jpe s ILE 86 N 1.35 4.68 -1.07 6.68 1.01 0.44 -2.65 121.20 131.64 2jpe s ILE 86 Ca 0.03 0.39 -0.23 0.00 0.00 0.00 0.00 60.65 60.84 2jpe s ILE 86 Cb -0.18 -4.30 -0.02 0.00 0.01 0.00 0.00 42.46 37.96 2jpe s ILE 86 CO -0.12 -0.69 1.81 -1.81 0.00 0.00 0.00 174.94 174.13 2jpe s ASP 87 N 2.11 5.65 -1.05 3.58 -0.00 -1.25 -1.89 116.67 123.82 2jpe s ASP 87 Ca 0.29 -1.38 -0.26 0.00 -0.00 0.00 0.00 52.55 51.20 2jpe s ASP 87 Cb -0.12 -2.57 -0.19 0.00 -0.00 0.00 0.00 42.92 40.03 2jpe s ASP 87 CO 0.22 -2.35 2.13 -0.76 -0.00 0.00 0.00 175.17 174.41 2jpe s LEU 88 N 8.42 2.53 -1.41 1.23 1.43 -1.17 -1.96 118.68 127.74 2jpe s LEU 88 Ca 0.62 -0.91 -0.00 0.00 -1.03 0.00 0.00 54.13 52.81 2jpe s LEU 88 Cb -0.02 -2.59 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2jpe s LEU 88 CO 0.03 -4.41 0.01 -0.46 0.23 0.00 0.00 176.35 171.75 2jpe n ASN 89 N 18.82 0.83 -4.65 2.29 0.23 -1.22 -4.63 115.26 126.93 2jpe n ASN 89 Ca 0.43 -1.17 -0.45 0.00 -0.53 0.00 0.00 54.58 52.86 2jpe n ASN 89 Cb 0.46 -1.45 -0.02 0.00 -2.08 0.00 0.00 39.78 36.69 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 -2.61 2.23 -0.31 0.53 2.88 -1.24 -4.81 113.62 110.29 2jpe n SER 90 Ca -0.30 1.17 0.09 0.00 -1.33 0.00 0.00 58.87 58.50 2jpe n SER 90 Cb 0.64 -1.38 0.18 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 1.02 -0.37 -0.06 2.46 5.66 -1.26 -3.18 114.28 118.55 2jpe n THR 91 Ca 0.10 1.98 -0.13 0.00 -3.05 0.00 0.00 64.05 62.95 2jpe n THR 91 Cb 0.32 -2.80 -0.04 0.00 -1.55 0.00 0.00 70.33 66.25 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 -5.37 0.00 0.00 1.09 8.25 -1.26 -5.07 115.22 112.86 2jpe n HIS 92 Ca 0.17 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 2jpe n HIS 92 Cb 0.54 -0.42 0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 2.26 1.96 3.50 -1.41 0.00 -1.19 -4.97 105.19 105.34 2jpe n GLY 93 Ca -0.23 -1.70 -0.26 0.00 0.00 0.00 0.00 46.02 43.83 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 -1.66 2.77 0.14 2.61 2.01 -1.26 0.12 115.64 120.38 2jpe s THR 94 Ca 0.00 -1.94 0.01 0.00 0.31 0.00 0.00 61.69 60.06 2jpe s THR 94 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.09 2jpe s THR 94 CO 0.00 -0.18 0.01 -0.36 -0.69 0.00 0.00 174.62 173.40 2jpe s PHE 95 N -1.87 1.01 -0.51 4.92 0.40 -0.62 -0.18 117.98 121.14 2jpe s PHE 95 Ca 0.25 -1.08 0.05 0.00 -0.60 0.00 0.00 56.93 55.55 2jpe s PHE 95 Cb -0.08 -0.58 0.37 0.00 0.51 0.00 0.00 43.02 43.24 2jpe s PHE 95 CO 0.13 -0.32 1.01 -0.11 0.70 0.00 0.00 175.22 176.63 2jpe n LEU 96 N -0.15 4.41 0.00 -0.37 7.94 0.12 -1.57 117.00 127.38 2jpe n LEU 96 Ca -0.07 -5.44 0.00 0.00 -1.11 0.00 0.00 56.01 49.38 2jpe n LEU 96 Cb 0.63 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.12 2jpe n LEU 96 CO 0.32 2.29 0.00 0.61 -1.11 0.00 0.00 177.39 179.50 2jpe n GLY 97 N -0.32 2.08 0.04 -3.96 0.00 0.31 -3.90 105.19 99.44 2jpe n GLY 97 Ca 0.33 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -4.47 1.61 1.44 -1.26 -4.91 115.22 107.63 2jpe n HIS 98 Ca 0.00 -0.12 -0.24 0.00 -2.01 0.00 0.00 57.72 55.35 2jpe n HIS 98 Cb 0.00 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 29.99 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 -0.26 2.45 0.08 0.61 1.01 -1.25 -5.15 121.20 118.68 2jpe s ILE 99 Ca 0.01 -2.39 0.09 0.00 0.00 0.00 0.00 60.65 58.35 2jpe s ILE 99 Cb 0.01 -2.31 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2jpe s ILE 99 CO 0.00 -0.39 -0.24 0.00 0.00 0.00 0.00 174.94 174.31 2jpe s ARG 100 N -3.52 1.47 0.24 2.79 1.04 -1.26 0.12 118.95 119.83 2jpe s ARG 100 Ca 0.30 -1.13 0.09 0.00 -1.04 0.00 0.00 55.73 53.94 2jpe s ARG 100 Cb -0.04 -1.72 -0.04 0.00 -2.04 0.00 0.00 34.95 31.10 2jpe s ARG 100 CO 0.15 0.43 0.03 -0.51 -0.04 0.00 0.00 175.30 175.36 2jpe s LEU 101 N -1.54 3.34 0.50 -1.89 1.43 0.75 -4.92 118.68 116.34 2jpe s LEU 101 Ca 0.10 -0.51 -0.13 0.00 -1.03 0.00 0.00 54.13 52.56 2jpe s LEU 101 Cb -0.10 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.16 2jpe s LEU 101 CO 0.03 0.02 0.92 -1.61 0.23 0.00 0.00 176.35 175.94 2jpe s GLU 102 N -3.51 3.81 -0.37 1.70 0.41 -1.25 -4.30 118.70 115.21 2jpe s GLU 102 Ca 0.31 0.73 -0.05 0.00 -0.41 0.00 0.00 54.97 55.54 2jpe s GLU 102 Cb -0.07 -2.22 -0.16 0.00 -1.78 0.00 0.00 34.13 29.90 2jpe s GLU 102 CO 0.20 -0.25 2.74 -0.35 -0.49 0.00 0.00 175.26 177.12 2jpe n PRO 103 N -1.74 1.89 0.00 0.39 -0.04 -1.25 -3.17 135.00 131.07 2jpe n PRO 103 Ca 0.05 -1.06 0.00 0.00 -0.04 0.00 0.00 63.50 62.45 2jpe n PRO 103 Cb 0.54 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.91 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 3.02 0.00 -2.32 0.54 8.25 -0.83 -3.45 115.22 120.43 2jpe n HIS 104 Ca 0.40 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.44 2jpe n HIS 104 Cb 0.54 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.62 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 4.33 0.60 -0.41 1.02 -1.19 -4.70 119.74 119.40 2jpe s LYS 105 Ca 0.00 1.86 -0.15 0.00 0.02 0.00 0.00 55.97 57.70 2jpe s LYS 105 Cb 0.00 -3.50 -0.03 0.00 -0.52 0.00 0.00 37.83 33.78 2jpe s LYS 105 CO 0.00 -0.47 1.05 -1.25 -0.92 0.00 0.00 175.35 173.76 2jpe s PRO 106 N 1.99 3.32 -0.18 -1.68 0.04 -1.26 -3.74 135.00 133.48 2jpe s PRO 106 Ca 0.61 1.14 -0.02 0.00 0.04 0.00 0.00 61.00 62.76 2jpe s PRO 106 Cb -0.30 -2.04 0.05 0.00 0.04 0.00 0.00 34.50 32.26 2jpe s PRO 106 CO 0.26 -0.81 0.01 -1.14 0.04 0.00 0.00 177.00 175.36 2jpe s GLN 107 N -4.24 0.88 1.01 4.56 2.00 -1.09 -4.90 119.66 117.88 2jpe s GLN 107 Ca 0.62 -0.45 -0.20 0.00 -2.00 0.00 0.00 55.36 53.34 2jpe s GLN 107 Cb -0.15 -2.03 -0.11 0.00 0.80 0.00 0.00 33.01 31.52 2jpe s GLN 107 CO 0.39 -0.57 -0.78 0.00 -0.50 0.00 0.00 175.29 173.84 2jpe n GLN 108 N 4.99 -0.23 -3.57 1.67 10.64 -1.26 -1.23 117.38 128.40 2jpe n GLN 108 Ca -0.10 -0.06 -0.24 0.00 -1.83 0.00 0.00 57.00 54.77 2jpe n GLN 108 Cb 0.47 -1.20 -0.16 0.00 -0.86 0.00 0.00 30.24 28.49 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 -2.08 -0.15 0.82 -0.39 -1.09 0.61 -4.66 121.20 114.26 2jpe s ILE 109 Ca 0.43 -0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.51 2jpe s ILE 109 Cb -0.09 -0.65 0.08 0.00 -1.58 0.00 0.00 42.46 40.23 2jpe s ILE 109 CO 0.74 -0.31 1.11 -2.16 -1.23 0.00 0.00 174.94 173.08 2jpe s PRO 110 N 2.19 1.88 0.55 2.79 0.04 -1.26 -3.36 135.00 137.83 2jpe s PRO 110 Ca 0.04 0.57 -0.19 0.00 0.04 0.00 0.00 61.00 61.46 2jpe s PRO 110 Cb -0.16 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2jpe s PRO 110 CO -0.13 -1.74 1.11 0.42 0.04 0.00 0.00 177.00 176.69 2jpe s ILE 111 N -3.18 3.30 -1.50 0.56 -1.09 -1.26 -2.44 121.20 115.58 2jpe s ILE 111 Ca 0.61 0.77 0.00 0.00 -2.23 0.00 0.00 60.65 59.80 2jpe s ILE 111 Cb -0.14 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.44 2jpe s ILE 111 CO 0.54 -0.21 0.00 -0.67 -1.23 0.00 0.00 174.94 173.37 2jpe n ASP 112 N -1.45 -4.43 -2.86 3.58 -0.08 0.32 -4.92 116.55 106.72 2jpe n ASP 112 Ca 0.11 0.35 -0.12 0.00 -1.51 0.00 0.00 54.79 53.62 2jpe n ASP 112 Cb 0.51 -3.80 0.09 0.00 2.34 0.00 0.00 41.12 40.26 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 -0.78 -0.87 -3.68 1.67 2.88 -1.02 -4.85 113.62 106.96 2jpe n SER 113 Ca -0.14 -0.93 -0.09 0.00 -1.33 0.00 0.00 58.87 56.38 2jpe n SER 113 Cb 0.52 -0.40 -0.10 0.00 -0.75 0.00 0.00 64.21 63.48 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 -1.93 -0.24 0.38 2.46 2.01 -1.26 -3.41 115.64 113.65 2jpe s THR 114 Ca 0.29 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.46 2jpe s THR 114 Cb -0.02 -0.67 -0.07 0.00 0.01 0.00 0.00 72.50 71.75 2jpe s THR 114 CO 0.21 0.04 0.01 0.68 -0.69 0.00 0.00 174.62 174.88 2jpe s VAL 115 N 1.84 1.84 -0.27 3.82 -7.23 0.32 0.11 120.40 120.83 2jpe s VAL 115 Ca -0.07 -2.02 -0.03 0.00 -1.81 0.00 0.00 61.98 58.05 2jpe s VAL 115 Cb -0.09 -2.90 0.16 0.00 0.56 0.00 0.00 36.38 34.10 2jpe s VAL 115 CO -0.13 -0.03 0.52 -0.94 -0.31 0.00 0.00 175.10 174.21 2jpe s SER 116 N -3.64 -0.77 0.60 4.85 1.04 -0.61 -1.99 113.70 113.18 2jpe s SER 116 Ca 0.35 0.77 -0.15 0.00 0.48 0.00 0.00 55.95 57.40 2jpe s SER 116 Cb 0.09 1.79 -0.03 0.00 0.10 0.00 0.00 66.02 67.97 2jpe s SER 116 CO 0.17 -0.27 1.05 -0.36 0.98 0.00 0.00 173.24 174.82 2jpe s PHE 117 N 2.75 3.04 0.00 5.02 0.40 -1.26 -1.59 117.98 126.34 2jpe s PHE 117 Ca 0.14 1.49 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 2jpe s PHE 117 Cb -0.15 -2.97 0.00 0.00 0.51 0.00 0.00 43.02 40.41 2jpe s PHE 117 CO -0.18 -1.07 0.66 0.41 0.70 0.00 0.00 175.22 175.74 2jpe n GLY 118 N -1.16 -3.02 0.00 4.36 0.00 0.32 -3.84 105.19 101.85 2jpe n GLY 118 Ca 0.08 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.33 2jpe n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jpe n ALA 119 N -1.19 0.00 -0.38 4.61 0.00 -1.26 -4.53 120.51 117.77 2jpe n ALA 119 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2jpe n ALA 119 Cb 0.00 0.24 0.28 0.00 0.00 0.00 0.00 19.45 19.97 2jpe n ALA 119 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jpe s SER 120 N -2.79 -0.71 0.00 0.00 0.01 -1.25 -4.86 113.70 104.10 2jpe s SER 120 Ca 0.00 1.03 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2jpe s SER 120 Cb 0.00 -1.50 0.00 0.00 0.21 0.00 0.00 66.02 64.73 2jpe s SER 120 CO 0.00 -5.17 0.55 0.35 0.41 0.00 0.00 173.24 169.38 2jpe n THR 121 N -5.52 0.22 -0.21 1.44 -2.24 -1.26 -4.39 114.28 102.32 2jpe n THR 121 Ca 0.10 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.53 2jpe n THR 121 Cb 0.59 1.01 0.10 0.00 -2.10 0.00 0.00 70.33 69.93 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 -0.11 -1.64 -3.18 -0.78 5.12 -1.26 -4.85 116.66 109.95 2jpe n ARG 122 Ca 0.00 -0.50 -0.21 0.00 -1.93 0.00 0.00 57.85 55.21 2jpe n ARG 122 Cb 0.39 -0.83 -0.05 0.00 -1.16 0.00 0.00 32.46 30.82 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 -3.48 2.36 -1.39 7.54 0.00 0.53 -4.45 120.51 121.62 2jpe n ALA 123 Ca -0.07 -3.52 -0.55 0.00 0.00 0.00 0.00 53.44 49.31 2jpe n ALA 123 Cb 0.21 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 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 0.67 1.47 -3.46 0.00 4.01 -0.84 -3.64 117.16 115.37 2jpe n TYR 124 Ca 0.24 0.49 -0.43 0.00 -0.16 0.00 0.00 57.90 58.04 2jpe n TYR 124 Cb 0.59 -2.43 -0.07 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 6.53 4.64 -0.35 -0.72 2.01 -1.16 -0.52 115.64 126.08 2jpe s THR 125 Ca 1.13 -1.83 -0.28 0.00 0.31 0.00 0.00 61.69 61.02 2jpe s THR 125 Cb -1.12 -4.01 -0.02 0.00 0.01 0.00 0.00 72.50 67.36 2jpe s THR 125 CO 0.57 -0.84 1.87 -0.22 -0.69 0.00 0.00 174.62 175.31 2jpe s LEU 126 N 1.24 3.47 0.00 4.42 1.98 -1.22 -3.41 118.68 125.16 2jpe s LEU 126 Ca 0.07 1.27 0.01 0.00 -2.89 0.00 0.00 54.13 52.59 2jpe s LEU 126 Cb -0.25 -3.38 0.02 0.00 0.66 0.00 0.00 46.19 43.23 2jpe s LEU 126 CO -0.01 -1.85 0.13 0.54 -1.89 0.00 0.00 176.35 173.28 2jpe n ARG 127 N 8.56 0.89 -3.21 1.98 3.00 -0.95 0.12 116.66 127.05 2jpe n ARG 127 Ca 0.24 -0.49 0.04 0.00 -0.01 0.00 0.00 57.85 57.62 2jpe n ARG 127 Cb 0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 32.46 32.87 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 -2.47 0.50 -0.86 5.56 2.12 -1.26 -3.85 118.70 118.45 2jpe s GLU 128 Ca 0.10 0.95 -0.23 0.00 0.36 0.00 0.00 54.97 56.15 2jpe s GLU 128 Cb -0.01 0.53 -0.21 0.00 0.26 0.00 0.00 34.13 34.71 2jpe s GLU 128 CO 0.06 -0.50 2.22 1.63 -0.54 0.00 0.00 175.26 178.14 2jpe n LYS 129 N 5.42 0.00 0.00 4.30 5.02 0.25 -4.84 118.16 128.31 2jpe n LYS 129 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 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 6.79 0.67 -1.52 1.97 -0.04 -1.26 -4.82 135.00 136.78 2jpe n PRO 130 Ca 0.57 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.61 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 -0.28 0.88 0.00 0.54 -0.06 -1.26 -5.15 117.38 112.05 2jpe n GLN 131 Ca 0.00 0.32 0.16 0.00 -2.00 0.00 0.00 57.00 55.48 2jpe n GLN 131 Cb 0.00 -1.70 0.91 0.00 -4.06 0.00 0.00 30.24 25.39 2jpe n GLN 131 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11