#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 4.65 -3.37 3.04 0.00 -1.26 -4.86 120.51 118.71 2jpe n ALA 2 Ca 0.00 -3.81 -0.26 0.00 0.00 0.00 0.00 53.44 49.37 2jpe n ALA 2 Cb 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 19.45 18.87 2jpe n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe n ALA 3 N -0.57 3.71 -3.32 0.00 0.00 -1.26 -4.89 120.51 114.18 2jpe n ALA 3 Ca 0.36 -4.47 0.03 0.00 0.00 0.00 0.00 53.44 49.35 2jpe n ALA 3 Cb 0.84 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.37 2jpe n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe s ALA 4 N -2.20 -2.85 -1.07 0.00 0.00 -1.26 -4.95 121.76 109.42 2jpe s ALA 4 Ca 0.39 1.89 -0.06 0.00 0.00 0.00 0.00 51.96 54.18 2jpe s ALA 4 Cb 0.15 -2.17 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2jpe s ALA 4 CO -0.03 -1.10 0.93 0.28 0.00 0.00 0.00 175.76 175.84 2jpe n VAL 5 N 5.13 -2.93 -2.08 0.00 0.31 -1.26 -4.88 118.33 112.62 2jpe n VAL 5 Ca -0.08 -0.08 -0.38 0.00 -0.01 0.00 0.00 64.34 63.79 2jpe n VAL 5 Cb 0.53 -3.73 -0.03 0.00 -0.91 0.00 0.00 33.84 29.69 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 -3.43 5.33 1.07 4.52 0.01 -1.26 -4.95 114.94 116.21 2jpe s ASN 6 Ca 0.38 0.22 -0.12 0.00 -0.71 0.00 0.00 52.86 52.62 2jpe s ASN 6 Cb -0.17 -2.53 0.21 0.00 0.41 0.00 0.00 41.25 39.17 2jpe s ASN 6 CO 0.59 -2.36 0.96 -0.24 -1.51 0.00 0.00 177.10 174.54 2jpe n SER 7 N 12.58 -1.03 0.00 -1.22 2.88 -1.26 -4.80 113.62 120.77 2jpe n SER 7 Ca 0.20 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 2jpe n SER 7 Cb 0.52 -1.32 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 2jpe n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jpe n GLY 8 N 0.84 0.58 2.89 0.46 0.00 -1.26 -5.15 105.19 103.55 2jpe n GLY 8 Ca 0.06 -0.78 -0.15 0.00 0.00 0.00 0.00 46.02 45.15 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jpe s SER 9 N -0.64 0.25 -0.19 1.61 1.04 -1.26 -5.01 113.70 109.49 2jpe s SER 9 Ca 0.00 0.32 0.16 0.00 0.48 0.00 0.00 55.95 56.91 2jpe s SER 9 Cb 0.00 0.23 0.56 0.00 0.10 0.00 0.00 66.02 66.92 2jpe s SER 9 CO 0.00 -0.19 1.46 -1.20 0.98 0.00 0.00 173.24 174.29 2jpe n SER 10 N 4.69 4.03 -3.54 7.02 7.64 -1.26 -4.98 113.62 127.22 2jpe n SER 10 Ca -0.17 -3.04 -0.08 0.00 1.01 0.00 0.00 58.87 56.58 2jpe n SER 10 Cb 0.51 -0.57 -0.03 0.00 -1.01 0.00 0.00 64.21 63.12 2jpe n SER 10 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2jpe s LEU 11 N -2.85 -0.32 0.00 -3.43 -0.00 -1.26 -5.18 118.68 105.64 2jpe s LEU 11 Ca 0.44 0.09 0.00 0.00 -0.00 0.00 0.00 54.13 54.66 2jpe s LEU 11 Cb 0.35 1.87 0.00 0.00 -0.00 0.00 0.00 46.19 48.41 2jpe s LEU 11 CO 0.09 -0.49 0.00 -0.81 -0.00 0.00 0.00 176.35 175.15 2jpe n PRO 12 N 0.00 0.90 -0.04 1.48 -0.04 -1.26 -5.03 135.00 131.01 2jpe n PRO 12 Ca -0.07 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.34 2jpe n PRO 12 Cb 0.60 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.00 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 0.44 -3.81 1.53 -0.00 -1.26 -5.08 117.00 108.82 2jpe n LEU 13 Ca 0.00 -0.01 -0.07 0.00 -0.00 0.00 0.00 56.01 55.94 2jpe n LEU 13 Cb 0.00 0.12 -0.02 0.00 -0.00 0.00 0.00 43.42 43.52 2jpe n LEU 13 CO 0.00 0.27 0.52 0.12 -0.00 0.00 0.00 177.39 178.30 2jpe s PHE 14 N -2.20 -0.20 -0.07 1.47 2.19 -1.26 -5.01 117.98 112.90 2jpe s PHE 14 Ca -0.06 -0.22 -0.01 0.00 0.33 0.00 0.00 56.93 56.98 2jpe s PHE 14 Cb 0.03 0.69 0.03 0.00 -1.31 0.00 0.00 43.02 42.45 2jpe s PHE 14 CO 0.32 -1.13 -0.01 0.34 1.83 0.00 0.00 175.22 176.57 2jpe s ASP 15 N -2.91 1.58 0.29 6.13 -1.08 -1.26 -5.13 116.67 114.29 2jpe s ASP 15 Ca 0.11 -0.11 -0.29 0.00 -0.52 0.00 0.00 52.55 51.74 2jpe s ASP 15 Cb -0.05 -0.47 -0.10 0.00 -1.46 0.00 0.00 42.92 40.84 2jpe s ASP 15 CO 0.05 -0.18 1.14 0.00 0.52 0.00 0.00 175.17 176.71 2jpe n PRO 17 N 1.17 0.77 0.00 0.00 -0.04 -1.26 -5.00 135.00 130.64 2jpe n PRO 17 Ca -0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.50 2jpe n PRO 17 Cb 0.44 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.90 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 -0.56 0.00 1.17 0.52 5.66 -1.26 -4.29 114.28 115.53 2jpe n THR 18 Ca 0.00 -0.39 0.12 0.00 -3.05 0.00 0.00 64.05 60.73 2jpe n THR 18 Cb 0.00 1.11 0.25 0.00 -1.55 0.00 0.00 70.33 70.14 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 -0.30 0.00 -2.66 1.09 4.27 -1.26 -4.90 117.44 113.68 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 0.21 -0.06 -0.05 0.00 -1.36 0.00 0.00 31.31 30.04 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 3.25 0.00 -1.67 0.00 -1.26 -0.30 121.76 119.36 2jpe s ALA 20 Ca 0.24 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.86 2jpe s ALA 20 Cb 0.19 -3.24 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2jpe s ALA 20 CO 0.51 0.02 0.00 0.41 0.00 0.00 0.00 175.76 176.70 2jpe n GLY 21 N 0.83 3.64 2.83 0.00 0.00 -1.16 -4.80 105.19 106.52 2jpe n GLY 21 Ca 0.01 -0.41 -0.17 0.00 0.00 0.00 0.00 46.02 45.45 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 2.95 0.09 0.37 1.61 2.36 -1.26 -4.39 119.74 121.46 2jpe s LYS 22 Ca 0.00 0.48 -0.25 0.00 -2.55 0.00 0.00 55.97 53.65 2jpe s LYS 22 Cb 0.00 -0.52 -0.09 0.00 -1.05 0.00 0.00 37.83 36.17 2jpe s LYS 22 CO 0.00 -0.40 1.06 -1.25 1.55 0.00 0.00 175.35 176.31 2jpe s PRO 23 N 2.31 4.29 0.70 4.03 0.04 -1.26 -5.04 135.00 140.08 2jpe s PRO 23 Ca 0.04 1.59 -0.11 0.00 0.04 0.00 0.00 61.00 62.55 2jpe s PRO 23 Cb -0.13 -2.71 0.01 0.00 0.04 0.00 0.00 34.50 31.71 2jpe s PRO 23 CO -0.08 -0.05 1.06 -1.25 0.04 0.00 0.00 177.00 176.73 2jpe s PRO 24 N -2.22 2.87 -1.12 0.56 0.04 -1.26 -4.61 135.00 129.27 2jpe s PRO 24 Ca 0.54 0.93 -0.19 0.00 0.04 0.00 0.00 61.00 62.32 2jpe s PRO 24 Cb -0.25 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 2jpe s PRO 24 CO 0.31 -1.14 2.03 -0.35 0.04 0.00 0.00 177.00 177.89 2jpe n PRO 25 N -3.15 2.17 -0.76 0.56 -0.04 -1.26 -3.67 135.00 128.85 2jpe n PRO 25 Ca 0.07 -2.30 -0.04 0.00 -0.04 0.00 0.00 63.50 61.20 2jpe n PRO 25 Cb 0.54 -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 0.16 3.33 0.55 0.00 -1.26 -5.04 105.19 107.44 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 -0.28 0.99 1.43 -1.24 0.38 118.68 122.35 2jpe s LEU 27 Ca 0.00 -1.12 -0.26 0.00 -1.03 0.00 0.00 54.13 51.72 2jpe s LEU 27 Cb 0.00 -0.42 0.17 0.00 0.03 0.00 0.00 46.19 45.97 2jpe s LEU 27 CO 0.00 -0.37 1.32 -1.38 0.23 0.00 0.00 176.35 176.15 2jpe s HIS 28 N -3.25 -0.15 0.70 0.29 -3.43 -1.26 -3.93 115.29 104.27 2jpe s HIS 28 Ca 0.24 0.34 -0.05 0.00 -0.80 0.00 0.00 55.06 54.79 2jpe s HIS 28 Cb 0.03 0.46 0.08 0.00 -1.43 0.00 0.00 32.58 31.72 2jpe s HIS 28 CO 0.07 -0.09 0.99 -1.17 -2.00 0.00 0.00 174.74 172.54 2jpe s LEU 29 N -0.23 2.91 0.18 5.38 1.98 0.54 -2.71 118.68 126.72 2jpe s LEU 29 Ca 0.06 0.25 -0.22 0.00 -2.89 0.00 0.00 54.13 51.33 2jpe s LEU 29 Cb -0.04 -2.85 0.06 0.00 0.66 0.00 0.00 46.19 44.02 2jpe s LEU 29 CO -0.11 -1.64 0.60 -1.81 -1.89 0.00 0.00 176.35 171.50 2jpe s ASP 30 N -4.56 -0.50 0.06 3.68 1.11 -1.12 -0.96 116.67 114.37 2jpe s ASP 30 Ca 0.62 -0.11 0.04 0.00 0.18 0.00 0.00 52.55 53.28 2jpe s ASP 30 Cb -0.09 0.61 -0.03 0.00 1.07 0.00 0.00 42.92 44.48 2jpe s ASP 30 CO 0.44 -1.02 -0.12 -0.69 1.18 0.00 0.00 175.17 174.96 2jpe s VAL 31 N -3.78 0.93 -0.08 -1.27 1.01 -0.76 -1.48 120.40 114.98 2jpe s VAL 31 Ca 0.03 -1.19 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 2jpe s VAL 31 Cb -0.02 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.48 2jpe s VAL 31 CO -0.10 -0.25 0.18 -0.69 0.00 0.00 0.00 175.10 174.24 2jpe s VAL 32 N -1.25 -0.03 -0.45 2.92 1.01 -1.25 0.16 120.40 121.51 2jpe s VAL 32 Ca -0.04 0.10 0.26 0.00 0.00 0.00 0.00 61.98 62.30 2jpe s VAL 32 Cb -0.10 -0.28 0.31 0.00 0.00 0.00 0.00 36.38 36.31 2jpe s VAL 32 CO 0.02 0.04 1.76 0.07 0.00 0.00 0.00 175.10 176.99 2jpe h LYS 33 N 6.65 0.00 0.00 2.72 2.10 -1.74 1.47 116.57 127.77 2jpe h LYS 33 Ca -0.35 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.30 2jpe h LYS 33 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2jpe h LYS 33 CO 0.40 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.26 2jpe n GLY 34 N 0.66 -0.31 0.40 0.07 0.00 -1.26 -4.77 105.19 99.97 2jpe n GLY 34 Ca 0.03 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.37 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 0.00 0.47 -3.74 1.61 8.00 -1.26 -5.00 116.55 116.62 2jpe n ASP 35 Ca 0.00 -2.19 -0.14 0.00 0.71 0.00 0.00 54.79 53.17 2jpe n ASP 35 Cb 0.00 -0.24 -0.15 0.00 -0.02 0.00 0.00 41.12 40.71 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2jpe s LYS 36 N -0.57 0.05 -0.08 -1.24 2.20 -1.26 -5.11 119.74 113.73 2jpe s LYS 36 Ca 0.06 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.73 2jpe s LYS 36 Cb 0.05 -0.22 -0.05 0.00 -1.51 0.00 0.00 37.83 36.11 2jpe s LYS 36 CO 0.01 -0.19 1.64 -1.17 -0.36 0.00 0.00 175.35 175.28 2jpe s LEU 37 N 1.30 4.24 0.00 5.43 1.98 -1.26 -1.92 118.68 128.45 2jpe s LEU 37 Ca -0.07 2.12 0.00 0.00 -2.89 0.00 0.00 54.13 53.29 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 -0.05 -0.98 0.07 -0.38 -1.89 0.00 0.00 176.35 173.11 2jpe n ILE 38 N 5.64 0.00 -4.24 6.68 2.08 0.12 -4.93 119.36 124.71 2jpe n ILE 38 Ca 0.18 0.27 -0.12 0.00 0.56 0.00 0.00 62.75 63.64 2jpe n ILE 38 Cb 0.43 -0.68 -0.03 0.00 -0.75 0.00 0.00 39.64 38.60 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 -1.01 0.80 -3.96 0.38 0.28 -1.24 -4.99 120.64 110.91 2jpe n GLU 39 Ca 0.00 -1.64 -0.09 0.00 -0.16 0.00 0.00 57.16 55.27 2jpe n GLU 39 Cb 0.00 0.87 -0.11 0.00 1.43 0.00 0.00 31.44 33.63 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 -2.74 0.34 0.18 3.44 2.20 -1.26 -1.83 119.74 120.07 2jpe s LYS 40 Ca 0.09 -0.56 -0.04 0.00 -0.36 0.00 0.00 55.97 55.10 2jpe s LYS 40 Cb 0.00 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.42 2jpe s LYS 40 CO 0.07 -0.06 0.18 -0.51 -0.36 0.00 0.00 175.35 174.66 2jpe s LEU 41 N -1.43 1.19 0.06 5.43 1.43 -0.13 -4.93 118.68 120.30 2jpe s LEU 41 Ca -0.16 -1.21 0.04 0.00 -1.03 0.00 0.00 54.13 51.78 2jpe s LEU 41 Cb -0.09 0.65 -0.04 0.00 0.03 0.00 0.00 46.19 46.74 2jpe s LEU 41 CO -0.01 -0.86 -0.03 -0.63 0.23 0.00 0.00 176.35 175.06 2jpe s ILE 42 N -4.08 3.89 -0.00 -0.59 1.09 -1.26 0.20 121.20 120.44 2jpe s ILE 42 Ca 0.30 -0.91 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 2jpe s ILE 42 Cb 0.06 -2.79 0.00 0.00 -1.06 0.00 0.00 42.46 38.67 2jpe s ILE 42 CO 0.07 0.22 0.71 2.30 -0.10 0.00 0.00 174.94 178.14 2jpe n ILE 43 N 0.93 0.05 -2.28 2.92 -6.64 -1.26 -4.55 119.36 108.54 2jpe n ILE 43 Ca -0.13 -0.06 -0.35 0.00 -1.77 0.00 0.00 62.75 60.44 2jpe n ILE 43 Cb 0.52 0.79 0.02 0.00 -1.44 0.00 0.00 39.64 39.53 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 -0.03 6.47 0.00 7.28 3.85 -1.25 -4.43 116.55 128.44 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.71 0.00 0.00 54.79 50.31 2jpe n ASP 44 Cb 0.57 -0.87 0.00 0.00 -1.35 0.00 0.00 41.12 39.47 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 2jpe n GLU 45 N -0.42 0.00 -1.94 0.11 1.02 -1.26 -4.62 120.64 113.54 2jpe n GLU 45 Ca 0.47 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.58 2jpe n GLU 45 Cb 0.37 -0.24 -0.00 0.00 -0.02 0.00 0.00 31.44 31.55 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 -2.21 1.56 0.00 3.49 -0.00 -1.26 -4.89 118.16 114.84 2jpe n LYS 46 Ca 0.00 -0.38 0.01 0.00 -0.00 0.00 0.00 58.31 57.93 2jpe n LYS 46 Cb 0.06 0.06 -0.00 0.00 -0.00 0.00 0.00 35.03 35.15 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 -0.47 3.01 -3.59 -1.58 0.00 -1.26 -4.07 118.16 110.19 2jpe n LYS 47 Ca -0.01 -0.29 -0.02 0.00 -0.00 0.00 0.00 58.31 57.99 2jpe n LYS 47 Cb 0.07 -0.79 -0.05 0.00 -0.00 0.00 0.00 35.03 34.26 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 -0.65 -0.95 0.00 5.58 -0.85 -1.26 -0.22 117.35 119.00 2jpe s TYR 48 Ca 0.01 1.76 0.00 0.00 -0.52 0.00 0.00 57.07 58.32 2jpe s TYR 48 Cb 0.01 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.92 2jpe s TYR 48 CO 0.04 -0.47 0.00 0.66 -1.52 0.00 0.00 175.55 174.26 2jpe n TYR 49 N 4.65 -0.12 -4.49 -3.49 4.01 -0.37 -4.95 117.16 112.40 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 0.54 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 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 1.99 -0.30 7.72 1.02 -1.26 -1.94 118.68 125.91 2jpe s LEU 50 Ca 0.00 -1.64 -0.05 0.00 0.02 0.00 0.00 54.13 52.45 2jpe s LEU 50 Cb 0.00 -0.10 0.18 0.00 0.02 0.00 0.00 46.19 46.29 2jpe s LEU 50 CO 0.00 -0.90 0.76 -0.36 0.02 0.00 0.00 176.35 175.87 2jpe s PHE 51 N -3.25 -1.23 0.00 0.29 0.08 0.27 -4.07 117.98 110.07 2jpe s PHE 51 Ca 0.26 1.33 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2jpe s PHE 51 Cb 0.03 0.44 0.00 0.00 -0.57 0.00 0.00 43.02 42.92 2jpe s PHE 51 CO 0.15 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 2jpe n GLY 52 N 5.44 -0.28 0.25 4.36 0.00 -1.24 0.71 105.19 114.43 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 -2.67 1.61 1.74 -1.00 0.14 116.66 116.48 2jpe n ARG 53 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2jpe n ARG 53 Cb 0.00 -0.06 -0.03 0.00 -1.02 0.00 0.00 32.46 31.35 2jpe n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jpe s ASN 54 N -1.42 6.65 0.47 0.55 3.04 -1.23 -4.78 114.94 118.22 2jpe s ASN 54 Ca 0.00 0.48 0.27 0.00 0.04 0.00 0.00 52.86 53.65 2jpe s ASN 54 Cb 0.00 -2.52 0.81 0.00 -1.54 0.00 0.00 41.25 38.00 2jpe s ASN 54 CO 0.00 -1.12 1.78 1.55 -3.04 0.00 0.00 177.10 176.26 2jpe h PRO 55 N 8.98 0.00 0.00 0.43 0.13 -1.78 0.94 132.00 140.70 2jpe h PRO 55 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2jpe h PRO 55 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2jpe h PRO 55 CO 1.08 0.07 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 3.58 -1.94 -3.16 116.42 116.33 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpe h ASP 56 Cb 0.80 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.85 2jpe h ASP 56 CO 0.01 0.00 -0.83 0.18 -2.88 0.00 0.00 179.24 175.72 2jpe n LEU 57 N -2.40 0.48 -4.95 2.28 4.77 -1.09 -5.02 117.00 111.06 2jpe n LEU 57 Ca -0.02 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 2jpe n LEU 57 Cb 0.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.18 2jpe n LEU 57 CO 0.12 0.01 0.44 0.00 -1.33 0.00 0.00 177.39 176.63 2jpe n ASP 59 N -2.50 0.81 -2.03 0.00 8.00 -1.26 -4.19 116.55 115.37 2jpe n ASP 59 Ca 0.07 0.15 -0.00 0.00 0.71 0.00 0.00 54.79 55.71 2jpe n ASP 59 Cb 0.60 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.93 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 -3.00 -1.63 -3.66 1.24 3.01 -1.26 -4.97 117.46 107.19 2jpe n PHE 60 Ca -0.29 -0.03 -0.08 0.00 1.01 0.00 0.00 57.45 58.06 2jpe n PHE 60 Cb 1.09 -0.01 -0.09 0.00 -0.01 0.00 0.00 39.48 40.46 2jpe n PHE 60 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2jpe s THR 61 N 0.06 -0.58 0.31 4.37 -4.23 -1.26 -4.41 115.64 109.90 2jpe s THR 61 Ca 0.00 0.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.75 2jpe s THR 61 Cb -0.00 -0.69 0.03 0.00 1.34 0.00 0.00 72.50 73.18 2jpe s THR 61 CO 0.00 0.06 1.71 0.40 -0.54 0.00 0.00 174.62 176.25 2jpe h ILE 62 N 6.06 1.33 -5.21 2.99 2.04 -0.63 -3.47 117.51 120.62 2jpe h ILE 62 Ca -0.19 -1.62 -0.05 0.00 1.00 0.00 0.00 64.86 64.00 2jpe h ILE 62 Cb 1.12 1.82 0.04 0.00 -0.74 0.00 0.00 36.82 39.06 2jpe h ILE 62 CO 0.14 0.47 -0.17 -0.67 0.00 0.00 0.00 178.15 177.93 2jpe n ASP 63 N -3.98 -7.16 -0.19 1.72 2.03 -1.25 -5.04 116.55 102.69 2jpe n ASP 63 Ca -0.02 -0.19 0.00 0.00 0.52 0.00 0.00 54.79 55.11 2jpe n ASP 63 Cb 0.50 -4.97 0.00 0.00 -0.72 0.00 0.00 41.12 35.93 2jpe n ASP 63 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85 2jpe n HIS 64 N -2.00 -0.03 0.00 -0.67 -0.00 -1.26 -5.08 115.22 106.18 2jpe n HIS 64 Ca -0.01 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.17 2jpe n HIS 64 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2jpe n HIS 64 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jpe n GLN 65 N 0.00 0.97 0.08 1.57 10.64 -1.26 -4.76 117.38 124.62 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 -0.93 -0.11 0.00 -0.86 0.00 0.00 30.24 28.34 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 0.78 -1.82 2.61 0.02 -1.98 -3.46 113.55 109.69 2jpe h SER 66 Ca 0.00 -0.69 -0.37 0.00 -0.84 0.00 0.00 61.79 59.89 2jpe h SER 66 Cb 0.87 -0.24 0.20 0.00 0.14 0.00 0.00 62.40 63.36 2jpe h SER 66 CO 0.00 1.50 -1.18 0.00 -1.14 0.00 0.00 176.83 176.02 2jpe s SER 68 N -1.64 1.53 0.22 0.00 0.15 -1.26 -4.99 113.70 107.71 2jpe s SER 68 Ca 0.42 -1.06 -0.07 0.00 0.70 0.00 0.00 55.95 55.94 2jpe s SER 68 Cb -0.04 0.04 0.36 0.00 -1.71 0.00 0.00 66.02 64.67 2jpe s SER 68 CO 0.53 -0.43 1.28 0.54 1.20 0.00 0.00 173.24 176.36 2jpe n ARG 69 N -0.19 -0.09 -3.24 5.44 3.00 -1.26 -1.24 116.66 119.09 2jpe n ARG 69 Ca -0.09 1.28 -0.26 0.00 -0.01 0.00 0.00 57.85 58.77 2jpe n ARG 69 Cb 0.61 -1.90 -0.06 0.00 0.00 0.00 0.00 32.46 31.11 2jpe n ARG 69 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2jpe n VAL 70 N -5.32 1.70 -0.19 1.55 0.31 -1.26 -2.36 118.33 112.76 2jpe n VAL 70 Ca 0.13 -5.02 -0.02 0.00 -0.01 0.00 0.00 64.34 59.42 2jpe n VAL 70 Cb 0.40 -1.72 0.05 0.00 -0.91 0.00 0.00 33.84 31.67 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 3.73 -0.29 -2.69 3.52 2.76 0.83 -3.43 115.15 119.58 2jpe h HIS 71 Ca 0.15 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2jpe h HIS 71 Cb 0.69 0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.87 2jpe h HIS 71 CO 0.66 -0.24 0.24 0.00 -1.30 0.00 0.00 177.93 177.28 2jpe n ALA 72 N -2.95 -1.42 -3.11 5.26 0.00 0.22 -2.85 120.51 115.66 2jpe n ALA 72 Ca 0.06 -0.93 -0.12 0.00 0.00 0.00 0.00 53.44 52.45 2jpe n ALA 72 Cb 0.30 0.72 -0.11 0.00 0.00 0.00 0.00 19.45 20.36 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 -1.81 -0.45 0.27 0.00 0.00 -0.75 0.95 121.76 119.97 2jpe s ALA 73 Ca 0.13 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.36 2jpe s ALA 73 Cb -0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.95 2jpe s ALA 73 CO 0.08 -0.16 0.42 -1.17 0.00 0.00 0.00 175.76 174.94 2jpe s LEU 74 N -0.67 4.21 -0.19 0.00 0.20 -0.82 -0.28 118.68 121.13 2jpe s LEU 74 Ca -0.08 0.21 -0.10 0.00 0.69 0.00 0.00 54.13 54.86 2jpe s LEU 74 Cb -0.04 -3.02 0.07 0.00 -0.43 0.00 0.00 46.19 42.76 2jpe s LEU 74 CO 0.01 -0.14 0.45 -0.69 -0.29 0.00 0.00 176.35 175.69 2jpe s VAL 75 N -2.09 -0.12 -0.38 1.68 1.01 0.69 -1.24 120.40 119.95 2jpe s VAL 75 Ca 0.36 0.09 -0.18 0.00 0.00 0.00 0.00 61.98 62.25 2jpe s VAL 75 Cb -0.09 -0.67 0.01 0.00 0.00 0.00 0.00 36.38 35.62 2jpe s VAL 75 CO 0.31 0.04 0.51 -0.47 0.00 0.00 0.00 175.10 175.49 2jpe s TYR 76 N 1.63 3.16 0.76 5.22 5.04 0.69 0.19 117.35 134.04 2jpe s TYR 76 Ca -0.08 0.01 -0.13 0.00 -2.44 0.00 0.00 57.07 54.42 2jpe s TYR 76 Cb -0.09 -2.97 0.06 0.00 0.35 0.00 0.00 41.96 39.31 2jpe s TYR 76 CO -0.14 -0.62 1.15 -1.58 -1.34 0.00 0.00 175.55 173.03 2jpe s HIS 77 N 2.38 2.16 -0.07 4.97 2.46 0.46 -3.00 115.29 124.66 2jpe s HIS 77 Ca 0.17 1.63 -0.01 0.00 0.47 0.00 0.00 55.06 57.33 2jpe s HIS 77 Cb -0.16 -3.31 -0.04 0.00 -0.13 0.00 0.00 32.58 28.95 2jpe s HIS 77 CO 0.14 -2.33 -0.07 0.36 -2.47 0.00 0.00 174.74 170.38 2jpe n LYS 78 N -3.14 0.16 0.00 2.88 2.85 0.59 -3.13 118.16 118.36 2jpe n LYS 78 Ca 0.12 0.05 0.11 0.00 -1.05 0.00 0.00 58.31 57.53 2jpe n LYS 78 Cb 0.51 -1.02 0.48 0.00 -0.65 0.00 0.00 35.03 34.35 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 -2.86 0.00 -0.01 5.58 8.25 -1.26 -3.12 115.22 121.80 2jpe n HIS 79 Ca -0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.33 2jpe n HIS 79 Cb 0.62 -0.48 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.48 0.00 -1.80 2.41 4.77 -1.26 -5.02 117.00 114.62 2jpe n LEU 80 Ca 0.06 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.91 2jpe n LEU 80 Cb 0.25 0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.40 2jpe n LEU 80 CO 0.20 0.04 0.01 0.29 -1.33 0.00 0.00 177.39 176.60 2jpe n LYS 81 N -1.99 -2.86 -1.86 3.23 4.01 -1.18 -5.01 118.16 112.50 2jpe n LYS 81 Ca -0.03 0.50 0.00 0.00 -0.51 0.00 0.00 58.31 58.27 2jpe n LYS 81 Cb 0.48 -4.50 0.00 0.00 -0.51 0.00 0.00 35.03 30.50 2jpe n LYS 81 CO 0.00 0.00 0.00 2.89 -1.11 0.00 0.00 177.40 179.18 2jpe n ARG 82 N -2.59 1.14 -4.29 1.97 1.85 -1.22 -4.92 116.66 108.60 2jpe n ARG 82 Ca -0.06 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.55 2jpe n ARG 82 Cb 0.56 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 31.89 2jpe n ARG 82 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2jpe s VAL 83 N -1.36 2.50 -0.02 8.89 1.01 -1.20 0.18 120.40 130.40 2jpe s VAL 83 Ca 0.00 -1.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.00 2jpe s VAL 83 Cb 0.00 -2.89 0.01 0.00 0.00 0.00 0.00 36.38 33.50 2jpe s VAL 83 CO 0.00 -0.12 0.23 -0.36 0.00 0.00 0.00 175.10 174.85 2jpe s PHE 84 N -2.56 -0.10 -0.27 5.22 0.40 0.50 0.24 117.98 121.41 2jpe s PHE 84 Ca 0.37 0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.86 2jpe s PHE 84 Cb 0.02 0.03 0.07 0.00 0.51 0.00 0.00 43.02 43.65 2jpe s PHE 84 CO 0.20 -0.32 -0.06 -1.17 0.70 0.00 0.00 175.22 174.58 2jpe s LEU 85 N -1.20 3.55 -0.47 -0.37 2.96 -0.47 -0.22 118.68 122.46 2jpe s LEU 85 Ca -0.13 -1.53 -0.19 0.00 -0.22 0.00 0.00 54.13 52.06 2jpe s LEU 85 Cb -0.06 -1.48 0.04 0.00 0.50 0.00 0.00 46.19 45.19 2jpe s LEU 85 CO 0.03 -0.25 0.60 -0.63 -1.32 0.00 0.00 176.35 174.78 2jpe s ILE 86 N 1.12 4.89 -0.72 6.68 1.01 0.62 -2.81 121.20 131.99 2jpe s ILE 86 Ca -0.03 -0.24 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 2jpe s ILE 86 Cb -0.19 -4.22 -0.02 0.00 0.01 0.00 0.00 42.46 38.04 2jpe s ILE 86 CO -0.06 -0.66 1.80 -0.62 0.00 0.00 0.00 174.94 175.39 2jpe s ASP 87 N 2.27 5.40 -1.19 3.58 -1.08 -1.25 -1.81 116.67 122.58 2jpe s ASP 87 Ca 0.17 -0.09 -0.22 0.00 -0.52 0.00 0.00 52.55 51.90 2jpe s ASP 87 Cb -0.17 -2.54 -0.04 0.00 -1.46 0.00 0.00 42.92 38.71 2jpe s ASP 87 CO 0.15 -2.37 1.87 -0.76 0.52 0.00 0.00 175.17 174.58 2jpe s LEU 88 N 8.76 3.26 -1.00 -1.34 1.43 -1.13 -1.11 118.68 127.55 2jpe s LEU 88 Ca 0.63 -1.78 -0.07 0.00 -1.03 0.00 0.00 54.13 51.89 2jpe s LEU 88 Cb -0.10 -2.58 0.01 0.00 0.03 0.00 0.00 46.19 43.54 2jpe s LEU 88 CO 0.13 -2.55 0.12 -0.46 0.23 0.00 0.00 176.35 173.82 2jpe n ASN 89 N 12.76 -0.26 -4.69 2.29 0.23 -1.24 -4.66 115.26 119.69 2jpe n ASN 89 Ca 0.45 -0.88 -0.41 0.00 -0.53 0.00 0.00 54.58 53.20 2jpe n ASN 89 Cb 0.47 -1.09 0.01 0.00 -2.08 0.00 0.00 39.78 37.09 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 -1.69 2.45 -0.29 0.53 2.88 -1.25 -4.82 113.62 111.42 2jpe n SER 90 Ca -0.19 1.12 0.08 0.00 -1.33 0.00 0.00 58.87 58.55 2jpe n SER 90 Cb 0.45 -1.48 0.16 0.00 -0.75 0.00 0.00 64.21 62.60 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 -0.15 -0.35 -0.00 2.46 5.66 -1.26 -3.64 114.28 117.00 2jpe n THR 91 Ca 0.07 1.87 -0.00 0.00 -3.05 0.00 0.00 64.05 62.94 2jpe n THR 91 Cb 0.39 -2.65 -0.00 0.00 -1.55 0.00 0.00 70.33 66.52 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 -5.29 0.00 0.00 1.09 8.25 -1.26 -5.08 115.22 112.93 2jpe n HIS 92 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2jpe n HIS 92 Cb 0.50 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.60 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 2.29 1.68 3.43 -1.41 0.00 -1.24 -5.00 105.19 104.94 2jpe n GLY 93 Ca -0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 2.49 0.23 2.61 2.01 -1.26 0.16 115.64 119.87 2jpe s THR 94 Ca 0.00 -1.67 0.02 0.00 0.31 0.00 0.00 61.69 60.35 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 0.09 0.05 -0.36 -0.69 0.00 0.00 174.62 173.71 2jpe s PHE 95 N -1.11 1.43 -0.52 4.92 0.40 -0.71 -0.19 117.98 122.19 2jpe s PHE 95 Ca 0.16 -1.09 0.05 0.00 -0.60 0.00 0.00 56.93 55.45 2jpe s PHE 95 Cb -0.10 -0.83 0.38 0.00 0.51 0.00 0.00 43.02 42.98 2jpe s PHE 95 CO 0.08 -0.25 1.07 -0.11 0.70 0.00 0.00 175.22 176.71 2jpe n LEU 96 N -0.38 4.72 0.00 -0.37 7.94 0.10 -1.85 117.00 127.16 2jpe n LEU 96 Ca -0.03 -5.42 0.00 0.00 -1.11 0.00 0.00 56.01 49.45 2jpe n LEU 96 Cb 0.65 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2jpe n LEU 96 CO 0.36 2.28 0.00 0.61 -1.11 0.00 0.00 177.39 179.53 2jpe n GLY 97 N -0.37 2.14 0.16 -3.96 0.00 0.25 -3.94 105.19 99.47 2jpe n GLY 97 Ca 0.36 -0.48 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 -4.39 1.61 1.44 -1.26 -4.85 115.22 107.77 2jpe n HIS 98 Ca 0.00 -0.05 -0.29 0.00 -2.01 0.00 0.00 57.72 55.38 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 -0.11 2.26 -0.11 0.61 1.01 -1.25 -5.13 121.20 118.48 2jpe s ILE 99 Ca 0.01 -1.77 -0.04 0.00 0.00 0.00 0.00 60.65 58.85 2jpe s ILE 99 Cb 0.01 -2.00 -0.04 0.00 0.01 0.00 0.00 42.46 40.44 2jpe s ILE 99 CO 0.00 0.08 0.05 0.00 0.00 0.00 0.00 174.94 175.07 2jpe s ARG 100 N -2.09 3.22 0.06 2.79 1.04 -1.26 0.02 118.95 122.74 2jpe s ARG 100 Ca 0.14 -0.32 0.04 0.00 -1.04 0.00 0.00 55.73 54.55 2jpe s ARG 100 Cb -0.10 -2.95 -0.04 0.00 -2.04 0.00 0.00 34.95 29.82 2jpe s ARG 100 CO 0.06 0.68 -0.02 -0.51 -0.04 0.00 0.00 175.30 175.47 2jpe s LEU 101 N -0.79 3.37 0.44 -1.89 1.43 0.73 -4.92 118.68 117.06 2jpe s LEU 101 Ca 0.12 -0.17 -0.21 0.00 -1.03 0.00 0.00 54.13 52.84 2jpe s LEU 101 Cb -0.12 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 2jpe s LEU 101 CO 0.03 0.21 0.99 -1.61 0.23 0.00 0.00 176.35 176.19 2jpe s GLU 102 N -2.03 4.09 -1.20 1.70 0.41 -1.26 -4.30 118.70 116.12 2jpe s GLU 102 Ca 0.23 1.23 -0.07 0.00 -0.41 0.00 0.00 54.97 55.94 2jpe s GLU 102 Cb -0.11 -2.19 -0.07 0.00 -1.78 0.00 0.00 34.13 29.97 2jpe s GLU 102 CO 0.15 -0.16 2.48 -0.35 -0.49 0.00 0.00 175.26 176.89 2jpe n PRO 103 N -0.68 2.76 0.00 0.39 -0.04 -1.26 -3.09 135.00 133.08 2jpe n PRO 103 Ca 0.08 -1.75 0.00 0.00 -0.04 0.00 0.00 63.50 61.78 2jpe n PRO 103 Cb 0.53 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.41 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 3.91 0.00 -2.38 0.54 8.25 -0.26 -3.71 115.22 121.56 2jpe n HIS 104 Ca 0.59 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.63 2jpe n HIS 104 Cb 0.18 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 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 4.38 0.65 -0.41 1.02 -1.18 -4.71 119.74 119.49 2jpe s LYS 105 Ca 0.00 1.81 -0.13 0.00 0.02 0.00 0.00 55.97 57.67 2jpe s LYS 105 Cb 0.00 -3.42 -0.01 0.00 -0.52 0.00 0.00 37.83 33.88 2jpe s LYS 105 CO 0.00 -0.36 1.06 -1.25 -0.92 0.00 0.00 175.35 173.87 2jpe s PRO 106 N 1.52 3.12 -0.13 -1.68 0.04 -1.26 -3.99 135.00 132.61 2jpe s PRO 106 Ca 0.59 1.05 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 2jpe s PRO 106 Cb -0.29 -2.01 0.05 0.00 0.04 0.00 0.00 34.50 32.28 2jpe s PRO 106 CO 0.27 -0.96 0.06 -1.14 0.04 0.00 0.00 177.00 175.28 2jpe s GLN 107 N -4.65 0.24 1.01 4.56 2.00 -1.12 -4.92 119.66 116.79 2jpe s GLN 107 Ca 0.60 -0.04 -0.21 0.00 -2.00 0.00 0.00 55.36 53.71 2jpe s GLN 107 Cb -0.15 -1.50 -0.12 0.00 0.80 0.00 0.00 33.01 32.04 2jpe s GLN 107 CO 0.47 -0.54 -0.89 0.00 -0.50 0.00 0.00 175.29 173.83 2jpe n GLN 108 N 5.21 -0.25 -3.56 1.67 10.64 -1.26 -1.37 117.38 128.46 2jpe n GLN 108 Ca -0.07 -0.07 -0.23 0.00 -1.83 0.00 0.00 57.00 54.81 2jpe n GLN 108 Cb 0.49 -1.19 -0.15 0.00 -0.86 0.00 0.00 30.24 28.53 2jpe n GLN 108 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 2jpe s ILE 109 N -2.07 -0.19 0.86 -0.39 -1.09 0.66 -4.64 121.20 114.33 2jpe s ILE 109 Ca 0.42 -0.14 -0.12 0.00 -2.23 0.00 0.00 60.65 58.58 2jpe s ILE 109 Cb -0.05 -0.62 0.11 0.00 -1.58 0.00 0.00 42.46 40.32 2jpe s ILE 109 CO 0.72 -0.25 1.12 -2.16 -1.23 0.00 0.00 174.94 173.14 2jpe s PRO 110 N 2.22 1.58 0.55 2.79 0.04 -1.26 -3.20 135.00 137.72 2jpe s PRO 110 Ca 0.04 0.45 -0.18 0.00 0.04 0.00 0.00 61.00 61.35 2jpe s PRO 110 Cb -0.16 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2jpe s PRO 110 CO -0.10 -1.93 1.09 0.42 0.04 0.00 0.00 177.00 176.52 2jpe s ILE 111 N -3.22 3.43 -1.53 0.56 -1.09 -1.26 -2.58 121.20 115.51 2jpe s ILE 111 Ca 0.62 0.82 0.00 0.00 -2.23 0.00 0.00 60.65 59.86 2jpe s ILE 111 Cb -0.15 -3.31 0.00 0.00 -1.58 0.00 0.00 42.46 37.42 2jpe s ILE 111 CO 0.54 -0.26 0.00 -0.67 -1.23 0.00 0.00 174.94 173.32 2jpe n ASP 112 N -1.50 -3.81 -2.80 3.58 2.03 0.50 -4.91 116.55 109.63 2jpe n ASP 112 Ca 0.10 0.36 -0.11 0.00 0.52 0.00 0.00 54.79 55.66 2jpe n ASP 112 Cb 0.52 -3.52 0.08 0.00 -0.72 0.00 0.00 41.12 37.48 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jpe n SER 113 N -0.64 -0.81 -3.70 1.67 2.88 -1.06 -4.83 113.62 107.12 2jpe n SER 113 Ca -0.14 -0.92 -0.11 0.00 -1.33 0.00 0.00 58.87 56.37 2jpe n SER 113 Cb 0.48 -0.36 -0.11 0.00 -0.75 0.00 0.00 64.21 63.46 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 -1.85 -0.04 0.02 2.46 2.01 -1.25 -3.23 115.64 113.75 2jpe s THR 114 Ca 0.26 0.11 0.05 0.00 0.31 0.00 0.00 61.69 62.42 2jpe s THR 114 Cb -0.02 -0.56 -0.02 0.00 0.01 0.00 0.00 72.50 71.91 2jpe s THR 114 CO 0.19 0.04 -0.15 0.54 -0.69 0.00 0.00 174.62 174.55 2jpe s VAL 115 N 1.39 1.22 -0.23 3.82 0.11 0.17 0.86 120.40 127.74 2jpe s VAL 115 Ca -0.09 -0.88 -0.01 0.00 -2.93 0.00 0.00 61.98 58.06 2jpe s VAL 115 Cb -0.09 -1.06 0.07 0.00 -1.53 0.00 0.00 36.38 33.77 2jpe s VAL 115 CO -0.12 0.17 0.03 -0.94 -3.33 0.00 0.00 175.10 170.91 2jpe s SER 116 N -0.81 3.44 1.29 3.54 1.04 -0.77 0.00 113.70 121.42 2jpe s SER 116 Ca 0.04 -1.13 -0.18 0.00 0.48 0.00 0.00 55.95 55.16 2jpe s SER 116 Cb -0.07 -0.81 0.27 0.00 0.10 0.00 0.00 66.02 65.51 2jpe s SER 116 CO 0.01 -0.32 0.81 0.49 0.98 0.00 0.00 173.24 175.21 2jpe n PHE 117 N 4.90 -3.62 0.00 5.02 3.01 -1.25 -1.74 117.46 123.78 2jpe n PHE 117 Ca -0.08 -0.74 0.00 0.00 1.01 0.00 0.00 57.45 57.64 2jpe n PHE 117 Cb 0.45 -0.96 0.00 0.00 -0.01 0.00 0.00 39.48 38.96 2jpe n PHE 117 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2jpe n GLY 118 N -3.96 0.89 0.00 1.37 0.00 0.42 -4.54 105.19 99.37 2jpe n GLY 118 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -0.55 0.00 -1.77 4.61 0.00 -1.26 -4.40 120.51 117.15 2jpe n ALA 119 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.07 2jpe n ALA 119 Cb 0.00 0.34 -0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.98 6.04 -0.07 0.00 0.01 -1.26 -4.89 113.70 110.55 2jpe s SER 120 Ca 0.00 2.34 0.17 0.00 1.31 0.00 0.00 55.95 59.77 2jpe s SER 120 Cb 0.00 -2.60 0.60 0.00 0.21 0.00 0.00 66.02 64.22 2jpe s SER 120 CO 0.00 -1.01 1.51 0.35 0.41 0.00 0.00 173.24 174.50 2jpe n THR 121 N -0.61 1.54 -0.36 1.44 -2.24 -1.26 -3.83 114.28 108.96 2jpe n THR 121 Ca 0.08 -1.19 -0.15 0.00 -2.27 0.00 0.00 64.05 60.51 2jpe n THR 121 Cb 0.48 0.24 0.15 0.00 -2.10 0.00 0.00 70.33 69.10 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 0.91 -1.86 -2.93 -0.78 5.12 -1.26 -4.84 116.66 111.01 2jpe n ARG 122 Ca 0.22 -0.73 -0.15 0.00 -1.93 0.00 0.00 57.85 55.26 2jpe n ARG 122 Cb 0.74 -1.28 -0.01 0.00 -1.16 0.00 0.00 32.46 30.75 2jpe n ARG 122 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2jpe n ALA 123 N -4.22 2.87 -1.25 7.54 0.00 0.50 -4.32 120.51 121.64 2jpe n ALA 123 Ca -0.10 -3.42 -0.54 0.00 0.00 0.00 0.00 53.44 49.38 2jpe n ALA 123 Cb 0.30 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 2jpe n ALA 123 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jpe n TYR 124 N 0.08 1.21 -3.68 0.00 4.02 0.10 -3.84 117.16 115.05 2jpe n TYR 124 Ca 0.20 0.80 -0.39 0.00 -0.01 0.00 0.00 57.90 58.50 2jpe n TYR 124 Cb 0.71 -1.94 -0.11 0.00 -0.02 0.00 0.00 39.34 37.97 2jpe n TYR 124 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jpe s THR 125 N 4.05 3.98 -0.49 -0.72 2.01 -0.55 0.41 115.64 124.34 2jpe s THR 125 Ca 0.97 -1.31 -0.29 0.00 0.31 0.00 0.00 61.69 61.38 2jpe s THR 125 Cb -1.29 -3.37 0.02 0.00 0.01 0.00 0.00 72.50 67.87 2jpe s THR 125 CO 0.62 -0.37 1.29 -0.22 -0.69 0.00 0.00 174.62 175.26 2jpe s LEU 126 N 1.40 3.54 0.00 4.42 1.98 -1.20 -2.81 118.68 126.01 2jpe s LEU 126 Ca 0.01 0.49 0.02 0.00 -2.89 0.00 0.00 54.13 51.76 2jpe s LEU 126 Cb -0.21 -3.39 0.05 0.00 0.66 0.00 0.00 46.19 43.29 2jpe s LEU 126 CO 0.02 -1.44 0.35 -1.14 -1.89 0.00 0.00 176.35 172.25 2jpe n ARG 127 N 8.18 0.57 -3.26 1.98 3.00 -1.10 0.19 116.66 126.22 2jpe n ARG 127 Ca 0.13 -1.13 -0.04 0.00 -0.00 0.00 0.00 57.85 56.82 2jpe n ARG 127 Cb 0.49 -0.18 -0.04 0.00 0.00 0.00 0.00 32.46 32.72 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 -3.25 0.45 -0.83 -0.14 2.12 -1.26 -4.03 118.70 111.76 2jpe s GLU 128 Ca 0.25 0.57 -0.22 0.00 0.36 0.00 0.00 54.97 55.93 2jpe s GLU 128 Cb -0.02 -0.05 -0.20 0.00 0.26 0.00 0.00 34.13 34.12 2jpe s GLU 128 CO 0.16 -0.79 2.14 1.63 -0.54 0.00 0.00 175.26 177.87 2jpe n LYS 129 N 5.39 0.00 0.00 4.30 5.02 0.16 -4.84 118.16 128.18 2jpe n LYS 129 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2jpe n LYS 129 Cb 0.51 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 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 6.53 0.66 -1.35 1.97 -0.04 -1.26 -4.83 135.00 136.67 2jpe n PRO 130 Ca 0.55 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.64 2jpe n PRO 130 Cb 0.04 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 33.56 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 0.39 0.00 0.54 7.27 -1.26 -5.15 117.38 118.89 2jpe n GLN 131 Ca 0.00 0.17 0.00 0.00 0.07 0.00 0.00 57.00 57.24 2jpe n GLN 131 Cb 0.00 -1.76 0.00 0.00 2.41 0.00 0.00 30.24 30.89 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 0.07 0.00 0.00 177.06 174.76