#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 -2.76 -2.17 3.04 0.00 -1.26 -4.95 120.51 112.42 2jpe n ALA 2 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 53.44 53.77 2jpe n ALA 2 Cb 0.00 -1.79 -0.00 0.00 0.00 0.00 0.00 19.45 17.65 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 -0.24 4.33 -0.39 0.00 0.00 -1.26 -5.10 121.76 119.10 2jpe s ALA 3 Ca 0.81 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.99 2jpe s ALA 3 Cb -1.09 -1.19 0.12 0.00 0.00 0.00 0.00 23.12 20.96 2jpe s ALA 3 CO 0.55 -0.37 0.17 0.00 0.00 0.00 0.00 175.76 176.12 2jpe s ALA 4 N -2.52 2.03 -0.00 0.00 0.00 -1.26 -4.82 121.76 115.20 2jpe s ALA 4 Ca 0.50 -2.30 0.05 0.00 0.00 0.00 0.00 51.96 50.21 2jpe s ALA 4 Cb -0.05 -1.81 -0.01 0.00 0.00 0.00 0.00 23.12 21.24 2jpe s ALA 4 CO 0.30 -1.90 -0.15 0.54 0.00 0.00 0.00 175.76 174.55 2jpe s VAL 5 N 0.81 1.19 -0.29 0.00 0.11 -1.26 -5.11 120.40 115.84 2jpe s VAL 5 Ca 0.14 -0.70 -0.01 0.00 -2.93 0.00 0.00 61.98 58.49 2jpe s VAL 5 Cb -0.22 -1.00 0.09 0.00 -1.53 0.00 0.00 36.38 33.73 2jpe s VAL 5 CO -0.09 0.29 0.08 0.54 -3.33 0.00 0.00 175.10 172.59 2jpe s ASN 6 N -0.47 3.95 -0.06 3.54 4.22 -1.26 -4.86 114.94 120.00 2jpe s ASN 6 Ca 0.05 -1.55 -0.03 0.00 -2.14 0.00 0.00 52.86 49.20 2jpe s ASN 6 Cb -0.06 -0.92 0.03 0.00 1.28 0.00 0.00 41.25 41.58 2jpe s ASN 6 CO -0.00 -0.39 0.13 -0.94 -2.04 0.00 0.00 177.10 173.86 2jpe s SER 7 N 1.57 -0.09 0.00 3.54 1.04 -1.26 -4.99 113.70 113.51 2jpe s SER 7 Ca 0.07 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2jpe s SER 7 Cb -0.17 0.17 0.00 0.00 0.10 0.00 0.00 66.02 66.11 2jpe s SER 7 CO -0.21 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.50 2jpe n GLY 8 N 4.01 1.39 2.69 7.32 0.00 -1.26 -4.93 105.19 114.41 2jpe n GLY 8 Ca -0.24 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.39 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2jpe n SER 9 N 0.00 -4.63 -4.54 1.61 2.88 -1.26 -4.95 113.62 102.74 2jpe n SER 9 Ca 0.00 0.00 -0.38 0.00 -1.33 0.00 0.00 58.87 57.16 2jpe n SER 9 Cb 0.00 -2.36 -0.11 0.00 -0.75 0.00 0.00 64.21 60.99 2jpe n SER 9 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2jpe s SER 10 N -2.02 5.72 0.49 -3.46 0.01 -1.26 -4.97 113.70 108.22 2jpe s SER 10 Ca 0.00 -0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.15 2jpe s SER 10 Cb 0.00 -2.05 0.00 0.00 0.21 0.00 0.00 66.02 64.18 2jpe s SER 10 CO 0.00 -0.06 0.00 0.18 0.41 0.00 0.00 173.24 173.77 2jpe n LEU 11 N 5.02 -0.84 0.00 2.44 7.99 -1.26 -4.92 117.00 125.42 2jpe n LEU 11 Ca -0.15 1.96 0.00 0.00 -0.01 0.00 0.00 56.01 57.81 2jpe n LEU 11 Cb 0.52 -3.51 0.00 0.00 -0.11 0.00 0.00 43.42 40.32 2jpe n LEU 11 CO 0.33 -2.19 0.00 -0.81 -1.51 0.00 0.00 177.39 173.20 2jpe n PRO 12 N -4.11 0.70 -0.04 3.23 -0.04 -1.26 -5.03 135.00 128.45 2jpe n PRO 12 Ca -0.06 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.36 2jpe n PRO 12 Cb 0.63 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.02 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 -3.55 1.53 -0.00 -1.26 -5.07 117.00 108.65 2jpe n LEU 13 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 2jpe n LEU 13 Cb 0.00 0.20 -0.03 0.00 -0.00 0.00 0.00 43.42 43.59 2jpe n LEU 13 CO 0.00 0.20 0.79 0.12 -0.00 0.00 0.00 177.39 178.50 2jpe s PHE 14 N -2.26 -0.31 -0.21 1.47 2.19 -1.26 -4.98 117.98 112.62 2jpe s PHE 14 Ca -0.04 0.36 0.01 0.00 0.33 0.00 0.00 56.93 57.59 2jpe s PHE 14 Cb 0.03 0.50 0.05 0.00 -1.31 0.00 0.00 43.02 42.28 2jpe s PHE 14 CO 0.37 -0.39 -0.11 0.34 1.83 0.00 0.00 175.22 177.26 2jpe s ASP 15 N -1.83 3.62 0.41 6.13 3.68 -1.26 -5.11 116.67 122.32 2jpe s ASP 15 Ca 0.03 -0.99 -0.26 0.00 2.13 0.00 0.00 52.55 53.46 2jpe s ASP 15 Cb -0.01 -1.32 -0.09 0.00 -1.45 0.00 0.00 42.92 40.05 2jpe s ASP 15 CO -0.04 -0.15 1.33 0.00 0.13 0.00 0.00 175.17 176.45 2jpe n PRO 17 N 0.12 0.78 0.00 0.00 -0.04 -1.26 -5.01 135.00 129.59 2jpe n PRO 17 Ca 0.04 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.52 2jpe n PRO 17 Cb 0.43 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.54 0.00 1.20 0.52 5.66 -1.26 -4.41 114.28 115.45 2jpe n THR 18 Ca 0.00 -0.47 0.13 0.00 -3.05 0.00 0.00 64.05 60.65 2jpe n THR 18 Cb 0.00 1.06 0.27 0.00 -1.55 0.00 0.00 70.33 70.11 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 -0.19 0.00 -2.42 1.09 4.27 -1.26 -4.89 117.44 114.05 2jpe n TRP 19 Ca 0.02 0.00 -0.42 0.00 -3.89 0.00 0.00 57.50 53.21 2jpe n TRP 19 Cb 0.09 -0.06 -0.03 0.00 -1.36 0.00 0.00 31.31 29.96 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 -2.36 3.41 -0.02 -1.67 0.00 -1.26 0.16 121.76 120.01 2jpe s ALA 20 Ca 0.25 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.10 2jpe s ALA 20 Cb 0.19 -3.43 0.01 0.00 0.00 0.00 0.00 23.12 19.90 2jpe s ALA 20 CO 0.48 -0.39 -0.04 0.20 0.00 0.00 0.00 175.76 176.01 2jpe s GLY 21 N 0.65 0.33 -0.44 0.00 0.00 -0.63 -4.75 107.32 102.48 2jpe s GLY 21 Ca 0.56 -0.10 -0.44 0.00 0.00 0.00 0.00 44.72 44.74 2jpe s GLY 21 CO 0.32 0.15 1.80 0.28 0.00 0.00 0.00 173.10 175.65 2jpe n LYS 22 N 3.52 0.35 -2.18 2.90 5.02 -1.26 -4.74 118.16 121.78 2jpe n LYS 22 Ca -0.20 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 55.88 2jpe n LYS 22 Cb 0.54 -1.71 -0.00 0.00 -0.02 0.00 0.00 35.03 33.83 2jpe n LYS 22 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2jpe s PRO 23 N 4.05 3.48 0.60 1.97 0.04 -1.26 -5.04 135.00 138.84 2jpe s PRO 23 Ca 1.07 1.21 -0.15 0.00 0.04 0.00 0.00 61.00 63.17 2jpe s PRO 23 Cb -1.35 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.10 2jpe s PRO 23 CO 0.72 -0.68 1.05 -1.25 0.04 0.00 0.00 177.00 176.88 2jpe s PRO 24 N -3.92 3.33 -1.15 0.56 0.04 -1.26 -4.65 135.00 127.95 2jpe s PRO 24 Ca 0.64 1.13 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 2jpe s PRO 24 Cb -0.15 -2.04 -0.05 0.00 0.04 0.00 0.00 34.50 32.30 2jpe s PRO 24 CO 0.33 -0.80 1.99 -0.35 0.04 0.00 0.00 177.00 178.21 2jpe n PRO 25 N -2.16 2.23 -0.79 0.56 -0.04 -1.26 -3.73 135.00 129.82 2jpe n PRO 25 Ca 0.08 -2.44 -0.03 0.00 -0.04 0.00 0.00 63.50 61.07 2jpe n PRO 25 Cb 0.53 -3.27 -0.03 0.00 -0.04 0.00 0.00 33.50 30.69 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 4.76 0.02 3.33 0.55 0.00 -1.26 -5.04 105.19 107.54 2jpe n GLY 26 Ca 0.49 -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 -0.06 2.29 -0.29 0.99 1.43 -1.24 0.74 118.68 122.54 2jpe s LEU 27 Ca 0.00 -1.18 -0.26 0.00 -1.03 0.00 0.00 54.13 51.66 2jpe s LEU 27 Cb 0.01 -0.34 0.18 0.00 0.03 0.00 0.00 46.19 46.07 2jpe s LEU 27 CO -0.00 -0.45 1.36 -1.38 0.23 0.00 0.00 176.35 176.10 2jpe s HIS 28 N -3.34 -0.11 0.74 0.29 -3.43 -1.25 -3.90 115.29 104.28 2jpe s HIS 28 Ca 0.27 0.26 -0.07 0.00 -0.80 0.00 0.00 55.06 54.71 2jpe s HIS 28 Cb 0.05 0.47 0.09 0.00 -1.43 0.00 0.00 32.58 31.76 2jpe s HIS 28 CO 0.08 -0.07 1.05 -1.17 -2.00 0.00 0.00 174.74 172.64 2jpe s LEU 29 N -0.23 2.84 0.23 5.38 1.98 0.54 -2.63 118.68 126.78 2jpe s LEU 29 Ca 0.07 0.28 -0.20 0.00 -2.89 0.00 0.00 54.13 51.40 2jpe s LEU 29 Cb -0.04 -2.80 0.03 0.00 0.66 0.00 0.00 46.19 44.05 2jpe s LEU 29 CO -0.12 -1.81 0.62 -1.81 -1.89 0.00 0.00 176.35 171.34 2jpe s ASP 30 N -4.61 -0.31 0.03 3.68 1.11 -1.24 -1.25 116.67 114.08 2jpe s ASP 30 Ca 0.63 -0.47 0.02 0.00 0.18 0.00 0.00 52.55 52.91 2jpe s ASP 30 Cb -0.09 0.65 -0.02 0.00 1.07 0.00 0.00 42.92 44.53 2jpe s ASP 30 CO 0.46 -1.17 -0.07 -0.69 1.18 0.00 0.00 175.17 174.88 2jpe s VAL 31 N -3.88 0.46 -0.06 -1.27 1.01 -0.77 -2.63 120.40 113.26 2jpe s VAL 31 Ca 0.09 -0.91 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 2jpe s VAL 31 Cb -0.03 -0.52 0.03 0.00 0.00 0.00 0.00 36.38 35.87 2jpe s VAL 31 CO 0.00 -0.31 0.14 -0.69 0.00 0.00 0.00 175.10 174.24 2jpe s VAL 32 N -1.17 -0.04 -2.11 2.92 1.01 -1.26 0.23 120.40 119.99 2jpe s VAL 32 Ca -0.09 0.15 0.30 0.00 0.00 0.00 0.00 61.98 62.35 2jpe s VAL 32 Cb -0.09 -0.23 0.81 0.00 0.00 0.00 0.00 36.38 36.87 2jpe s VAL 32 CO 0.00 0.06 2.10 2.29 0.00 0.00 0.00 175.10 179.55 2jpe n LYS 33 N 3.99 1.15 0.00 2.72 2.85 -0.89 0.18 118.16 128.16 2jpe n LYS 33 Ca -0.24 -0.22 0.00 0.00 -1.05 0.00 0.00 58.31 56.80 2jpe n LYS 33 Cb 0.53 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.42 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 1.03 -0.01 0.45 2.58 0.00 -1.26 -4.82 105.19 103.16 2jpe n GLY 34 Ca 0.22 0.18 0.03 0.00 0.00 0.00 0.00 46.02 46.45 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 0.64 -3.74 1.61 3.85 -1.26 -4.97 116.55 112.69 2jpe n ASP 35 Ca 0.00 -2.29 -0.16 0.00 -0.71 0.00 0.00 54.79 51.62 2jpe n ASP 35 Cb 0.00 -0.27 -0.16 0.00 -1.35 0.00 0.00 41.12 39.34 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -1.01 0.00 0.00 177.20 175.44 2jpe s LYS 36 N -0.74 -0.04 -0.07 0.11 2.20 -1.26 -5.11 119.74 114.84 2jpe s LYS 36 Ca 0.10 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.69 2jpe s LYS 36 Cb 0.09 -0.32 -0.06 0.00 -1.51 0.00 0.00 37.83 36.04 2jpe s LYS 36 CO -0.00 -0.22 1.73 -1.17 -0.36 0.00 0.00 175.35 175.33 2jpe s LEU 37 N 1.45 4.25 0.00 5.43 1.98 -1.26 -2.09 118.68 128.44 2jpe s LEU 37 Ca -0.05 2.22 0.00 0.00 -2.89 0.00 0.00 54.13 53.41 2jpe s LEU 37 Cb -0.13 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.19 2jpe s LEU 37 CO -0.03 -1.04 0.05 -0.38 -1.89 0.00 0.00 176.35 173.06 2jpe n ILE 38 N 5.71 0.00 -4.32 6.68 2.08 0.14 -4.94 119.36 124.70 2jpe n ILE 38 Ca 0.18 0.25 -0.15 0.00 0.56 0.00 0.00 62.75 63.59 2jpe n ILE 38 Cb 0.43 -0.65 -0.04 0.00 -0.75 0.00 0.00 39.64 38.63 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 -1.03 0.92 -3.95 0.38 0.28 -1.25 -4.98 120.64 111.01 2jpe n GLU 39 Ca 0.00 -1.97 -0.10 0.00 -0.16 0.00 0.00 57.16 54.94 2jpe n GLU 39 Cb 0.00 0.89 -0.11 0.00 1.43 0.00 0.00 31.44 33.65 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 -2.91 0.34 0.15 3.44 2.20 -1.26 -1.86 119.74 119.83 2jpe s LYS 40 Ca 0.08 -0.55 -0.03 0.00 -0.36 0.00 0.00 55.97 55.11 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 0.06 -0.06 0.11 -0.51 -0.36 0.00 0.00 175.35 174.59 2jpe s LEU 41 N -1.40 1.53 0.07 5.43 1.43 -0.38 -4.93 118.68 120.43 2jpe s LEU 41 Ca -0.15 -1.16 0.03 0.00 -1.03 0.00 0.00 54.13 51.82 2jpe s LEU 41 Cb -0.09 0.50 -0.04 0.00 0.03 0.00 0.00 46.19 46.58 2jpe s LEU 41 CO -0.00 -0.78 0.06 -0.63 0.23 0.00 0.00 176.35 175.22 2jpe s ILE 42 N -4.04 4.40 0.00 -0.59 1.09 -1.26 0.20 121.20 121.00 2jpe s ILE 42 Ca 0.24 -0.79 0.00 0.00 -1.10 0.00 0.00 60.65 59.01 2jpe s ILE 42 Cb 0.06 -3.10 0.00 0.00 -1.06 0.00 0.00 42.46 38.36 2jpe s ILE 42 CO 0.03 0.15 0.72 2.30 -0.10 0.00 0.00 174.94 178.04 2jpe n ILE 43 N 0.58 0.00 -2.34 2.92 -5.35 -1.25 -4.52 119.36 109.40 2jpe n ILE 43 Ca -0.10 0.00 -0.35 0.00 -0.27 0.00 0.00 62.75 62.04 2jpe n ILE 43 Cb 0.52 0.70 0.01 0.00 -1.74 0.00 0.00 39.64 39.13 2jpe n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2jpe n ASP 44 N 0.00 6.30 0.00 7.28 3.85 -1.25 -4.46 116.55 128.27 2jpe n ASP 44 Ca 0.00 -3.76 0.00 0.00 -0.71 0.00 0.00 54.79 50.32 2jpe n ASP 44 Cb 0.60 -0.85 0.00 0.00 -1.35 0.00 0.00 41.12 39.52 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 -0.40 0.00 -3.04 0.11 1.02 -1.26 -4.64 120.64 112.43 2jpe n GLU 45 Ca 0.45 0.00 -0.15 0.00 -0.02 0.00 0.00 57.16 57.44 2jpe n GLU 45 Cb 0.38 -0.13 -0.02 0.00 -0.02 0.00 0.00 31.44 31.65 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 -2.23 1.18 0.00 3.49 -0.00 -1.26 -4.83 118.16 114.50 2jpe n LYS 46 Ca 0.00 -1.90 0.01 0.00 -0.00 0.00 0.00 58.31 56.42 2jpe n LYS 46 Cb 0.00 0.34 0.01 0.00 -0.00 0.00 0.00 35.03 35.38 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 -0.97 -0.45 -3.60 -1.58 -0.00 -1.26 -4.02 118.16 106.28 2jpe n LYS 47 Ca -0.06 -0.66 -0.03 0.00 -0.00 0.00 0.00 58.31 57.57 2jpe n LYS 47 Cb 0.34 -1.05 -0.05 0.00 -0.00 0.00 0.00 35.03 34.27 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 -0.27 -0.98 0.00 5.58 -0.85 -1.26 -0.04 117.35 119.54 2jpe s TYR 48 Ca 0.03 1.81 0.00 0.00 -0.52 0.00 0.00 57.07 58.40 2jpe s TYR 48 Cb 0.02 0.59 0.00 0.00 0.38 0.00 0.00 41.96 42.95 2jpe s TYR 48 CO 0.04 -0.49 0.00 0.66 -1.52 0.00 0.00 175.55 174.24 2jpe n TYR 49 N 4.66 -0.14 -4.46 -3.49 4.01 0.64 -4.94 117.16 113.44 2jpe n TYR 49 Ca -0.15 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.35 2jpe n TYR 49 Cb 0.54 0.00 -0.09 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 1.95 -0.30 7.72 1.02 -1.26 -1.85 118.68 125.96 2jpe s LEU 50 Ca 0.00 -1.60 -0.05 0.00 0.02 0.00 0.00 54.13 52.50 2jpe s LEU 50 Cb 0.00 -0.09 0.19 0.00 0.02 0.00 0.00 46.19 46.31 2jpe s LEU 50 CO 0.00 -0.87 0.76 -0.36 0.02 0.00 0.00 176.35 175.90 2jpe s PHE 51 N -3.31 -1.24 0.00 0.29 0.08 0.27 -4.18 117.98 109.89 2jpe s PHE 51 Ca 0.29 1.26 0.00 0.00 0.12 0.00 0.00 56.93 58.60 2jpe s PHE 51 Cb 0.04 0.42 0.00 0.00 -0.57 0.00 0.00 43.02 42.91 2jpe s PHE 51 CO 0.15 -0.68 0.00 0.41 -0.10 0.00 0.00 175.22 175.00 2jpe n GLY 52 N 5.44 -0.25 0.51 4.36 0.00 -1.24 0.82 105.19 114.82 2jpe n GLY 52 Ca -0.02 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2jpe n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpe n ARG 53 N 0.00 0.00 -2.59 1.61 1.74 -0.95 0.45 116.66 116.93 2jpe n ARG 53 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2jpe n ARG 53 Cb 0.00 -0.06 -0.02 0.00 -1.02 0.00 0.00 32.46 31.36 2jpe n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jpe s ASN 54 N -1.60 6.68 0.49 0.55 3.04 -1.23 -4.76 114.94 118.11 2jpe s ASN 54 Ca 0.00 0.64 0.28 0.00 0.04 0.00 0.00 52.86 53.82 2jpe s ASN 54 Cb 0.00 -2.55 0.85 0.00 -1.54 0.00 0.00 41.25 38.01 2jpe s ASN 54 CO 0.00 -1.18 1.79 1.55 -3.04 0.00 0.00 177.10 176.22 2jpe h PRO 55 N 9.09 0.00 0.00 0.43 0.13 -1.78 0.57 132.00 140.44 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 0.01 0.00 -3.47 -0.23 0.00 0.00 178.00 175.42 2jpe n ASP 56 N -3.11 0.60 0.00 1.44 2.03 -1.26 -3.17 116.55 113.08 2jpe n ASP 56 Ca 0.02 0.77 0.00 0.00 0.52 0.00 0.00 54.79 56.10 2jpe n ASP 56 Cb 0.42 -0.85 0.00 0.00 -0.72 0.00 0.00 41.12 39.97 2jpe n ASP 56 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2jpe n LEU 57 N -2.29 0.80 -4.96 -2.67 4.77 -1.09 -5.07 117.00 106.49 2jpe n LEU 57 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2jpe n LEU 57 Cb 0.05 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.15 2jpe n LEU 57 CO 0.11 0.07 0.25 0.00 -1.33 0.00 0.00 177.39 176.49 2jpe n ASP 59 N -2.03 0.87 -1.89 0.00 2.03 -1.26 -4.08 116.55 110.18 2jpe n ASP 59 Ca 0.02 0.29 0.00 0.00 0.52 0.00 0.00 54.79 55.62 2jpe n ASP 59 Cb 0.58 0.06 0.00 0.00 -0.72 0.00 0.00 41.12 41.03 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2jpe n PHE 60 N -3.04 -1.85 -3.58 -0.67 3.01 -1.26 -4.97 117.46 105.10 2jpe n PHE 60 Ca -0.23 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.19 2jpe n PHE 60 Cb 1.07 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.48 2jpe n PHE 60 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2jpe s THR 61 N 0.38 -0.82 0.32 4.37 -4.23 -1.26 -4.45 115.64 109.94 2jpe s THR 61 Ca 0.00 0.07 0.06 0.00 -1.18 0.00 0.00 61.69 60.64 2jpe s THR 61 Cb 0.00 -0.84 0.08 0.00 1.34 0.00 0.00 72.50 73.08 2jpe s THR 61 CO 0.00 0.02 1.76 0.40 -0.54 0.00 0.00 174.62 176.26 2jpe h ILE 62 N 6.09 1.26 -4.03 2.99 2.04 -0.32 -3.48 117.51 122.07 2jpe h ILE 62 Ca -0.18 -1.26 -0.14 0.00 1.00 0.00 0.00 64.86 64.28 2jpe h ILE 62 Cb 1.11 1.47 0.09 0.00 -0.74 0.00 0.00 36.82 38.76 2jpe h ILE 62 CO 0.14 0.39 -0.41 -0.67 0.00 0.00 0.00 178.15 177.60 2jpe n ASP 63 N -4.12 -3.25 -3.70 1.72 2.03 -1.24 -5.02 116.55 102.98 2jpe n ASP 63 Ca -0.01 -0.33 -0.11 0.00 0.52 0.00 0.00 54.79 54.86 2jpe n ASP 63 Cb 0.40 -2.82 -0.10 0.00 -0.72 0.00 0.00 41.12 37.88 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 -3.19 -0.59 0.27 -0.67 2.46 -1.26 -5.02 115.29 107.29 2jpe s HIS 64 Ca 0.12 1.29 0.19 0.00 0.47 0.00 0.00 55.06 57.13 2jpe s HIS 64 Cb -0.02 0.26 0.87 0.00 -0.13 0.00 0.00 32.58 33.56 2jpe s HIS 64 CO 0.36 -0.32 1.83 -0.56 -2.47 0.00 0.00 174.74 173.59 2jpe h GLN 65 N 6.74 0.00 0.10 2.88 3.07 -1.97 -3.06 115.11 122.87 2jpe h GLN 65 Ca -0.34 0.00 -0.00 0.00 0.09 0.00 0.00 58.65 58.39 2jpe h GLN 65 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2jpe h GLN 65 CO 0.28 0.31 -0.05 1.03 0.09 0.00 0.00 178.83 180.49 2jpe h SER 66 N 0.00 -0.11 -0.84 0.06 0.87 -2.01 -3.44 113.55 108.08 2jpe h SER 66 Ca -0.00 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2jpe h SER 66 Cb 0.71 0.03 0.01 0.00 -0.44 0.00 0.00 62.40 62.70 2jpe h SER 66 CO 0.04 0.16 -0.00 0.00 -0.53 0.00 0.00 176.83 176.50 2jpe s SER 68 N -1.81 1.23 0.29 0.00 0.15 -1.26 -4.98 113.70 107.32 2jpe s SER 68 Ca 0.02 -1.26 -0.01 0.00 0.70 0.00 0.00 55.95 55.40 2jpe s SER 68 Cb -0.00 0.13 0.67 0.00 -1.71 0.00 0.00 66.02 65.11 2jpe s SER 68 CO 0.01 -0.63 1.59 0.03 1.20 0.00 0.00 173.24 175.44 2jpe h ARG 69 N 2.56 0.04 -2.19 5.44 -0.00 -1.92 -1.57 114.38 116.74 2jpe h ARG 69 Ca -0.37 -0.00 -0.56 0.00 -0.50 0.00 0.00 59.98 58.54 2jpe h ARG 69 Cb 1.22 -0.01 -0.41 0.00 0.00 0.00 0.00 29.97 30.77 2jpe h ARG 69 CO 0.62 0.03 -0.81 0.28 0.00 0.00 0.00 179.97 180.09 2jpe n VAL 70 N -5.44 1.94 -0.29 2.04 0.31 -1.26 -2.24 118.33 113.38 2jpe n VAL 70 Ca 0.21 -5.20 0.04 0.00 -0.01 0.00 0.00 64.34 59.38 2jpe n VAL 70 Cb 0.68 -1.21 0.12 0.00 -0.91 0.00 0.00 33.84 32.53 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 3.17 -0.38 -2.56 3.52 2.76 0.45 -3.43 115.15 118.69 2jpe h HIS 71 Ca 0.13 0.07 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2jpe h HIS 71 Cb 0.66 0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.92 2jpe h HIS 71 CO 0.70 -0.35 0.19 0.00 -1.30 0.00 0.00 177.93 177.17 2jpe n ALA 72 N -3.31 -1.16 -3.21 5.26 0.00 0.24 -2.95 120.51 115.38 2jpe n ALA 72 Ca 0.13 -0.76 -0.13 0.00 0.00 0.00 0.00 53.44 52.68 2jpe n ALA 72 Cb 0.45 0.59 -0.10 0.00 0.00 0.00 0.00 19.45 20.39 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 -1.66 -0.74 0.18 0.00 0.00 -0.78 0.95 121.76 119.70 2jpe s ALA 73 Ca 0.10 0.49 0.01 0.00 0.00 0.00 0.00 51.96 52.57 2jpe s ALA 73 Cb -0.03 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.91 2jpe s ALA 73 CO 0.07 -0.21 0.33 -1.17 0.00 0.00 0.00 175.76 174.78 2jpe s LEU 74 N -0.78 4.29 -0.14 0.00 0.20 -0.77 -0.16 118.68 121.32 2jpe s LEU 74 Ca -0.09 0.26 -0.06 0.00 0.69 0.00 0.00 54.13 54.93 2jpe s LEU 74 Cb -0.04 -3.01 0.06 0.00 -0.43 0.00 0.00 46.19 42.77 2jpe s LEU 74 CO 0.03 0.00 0.31 -0.69 -0.29 0.00 0.00 176.35 175.71 2jpe s VAL 75 N -1.81 -0.25 -0.51 1.68 1.01 0.88 -0.26 120.40 121.14 2jpe s VAL 75 Ca 0.36 0.18 -0.22 0.00 0.00 0.00 0.00 61.98 62.30 2jpe s VAL 75 Cb -0.11 -0.49 0.04 0.00 0.00 0.00 0.00 36.38 35.82 2jpe s VAL 75 CO 0.29 0.08 0.78 -0.47 0.00 0.00 0.00 175.10 175.77 2jpe s TYR 76 N 1.87 2.94 0.69 5.22 5.04 0.95 0.15 117.35 134.21 2jpe s TYR 76 Ca -0.05 -0.16 -0.17 0.00 -2.44 0.00 0.00 57.07 54.26 2jpe s TYR 76 Cb -0.11 -3.74 0.01 0.00 0.35 0.00 0.00 41.96 38.47 2jpe s TYR 76 CO -0.10 -1.13 1.14 1.58 -1.34 0.00 0.00 175.55 175.70 2jpe n HIS 77 N 6.77 1.30 -0.06 4.97 -0.00 0.49 -1.61 115.22 127.09 2jpe n HIS 77 Ca -0.01 0.41 -0.09 0.00 0.46 0.00 0.00 57.72 58.48 2jpe n HIS 77 Cb 0.47 -2.17 -0.05 0.00 -0.12 0.00 0.00 29.99 28.13 2jpe n HIS 77 CO 0.00 0.00 0.00 0.36 0.46 0.00 0.00 176.34 177.16 2jpe n LYS 78 N -2.03 0.26 0.12 1.57 2.85 0.43 -2.85 118.16 118.51 2jpe n LYS 78 Ca 0.14 0.08 0.12 0.00 -1.05 0.00 0.00 58.31 57.60 2jpe n LYS 78 Cb 0.49 -1.10 0.48 0.00 -0.65 0.00 0.00 35.03 34.24 2jpe n LYS 78 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jpe n HIS 79 N -3.09 0.80 -0.03 5.58 8.25 -1.25 -2.87 115.22 122.62 2jpe n HIS 79 Ca -0.21 0.31 -0.03 0.00 -0.26 0.00 0.00 57.72 57.53 2jpe n HIS 79 Cb 0.69 -0.99 -0.05 0.00 1.12 0.00 0.00 29.99 30.75 2jpe n HIS 79 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 2jpe n LEU 80 N -2.22 0.00 -1.37 2.41 4.77 -1.26 -5.02 117.00 114.31 2jpe n LEU 80 Ca 0.03 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.91 2jpe n LEU 80 Cb 0.25 0.15 0.01 0.00 -2.33 0.00 0.00 43.42 41.51 2jpe n LEU 80 CO 0.21 0.15 -0.03 0.29 -1.33 0.00 0.00 177.39 176.69 2jpe n LYS 81 N -2.21 -1.85 -1.85 3.23 4.76 -1.13 -5.02 118.16 114.09 2jpe n LYS 81 Ca -0.10 0.41 0.00 0.00 -2.87 0.00 0.00 58.31 55.75 2jpe n LYS 81 Cb 0.68 -4.26 0.00 0.00 -1.84 0.00 0.00 35.03 29.60 2jpe n LYS 81 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2jpe n ARG 82 N -2.12 1.19 -4.30 1.97 1.74 -1.17 -4.93 116.66 109.04 2jpe n ARG 82 Ca -0.06 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.78 2jpe n ARG 82 Cb 0.56 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 31.92 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 -1.33 2.98 0.02 1.55 1.01 -1.24 0.19 120.40 123.58 2jpe s VAL 83 Ca 0.00 -1.95 -0.09 0.00 0.00 0.00 0.00 61.98 59.94 2jpe s VAL 83 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 36.38 33.59 2jpe s VAL 83 CO 0.00 -0.28 0.17 -0.36 0.00 0.00 0.00 175.10 174.63 2jpe s PHE 84 N -2.43 0.05 -0.25 5.22 0.40 0.39 0.24 117.98 121.59 2jpe s PHE 84 Ca 0.33 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.48 2jpe s PHE 84 Cb -0.03 -0.04 0.06 0.00 0.51 0.00 0.00 43.02 43.52 2jpe s PHE 84 CO 0.20 -0.37 -0.06 -1.17 0.70 0.00 0.00 175.22 174.52 2jpe s LEU 85 N -1.76 3.02 -0.45 -0.37 2.96 -0.60 -0.09 118.68 121.39 2jpe s LEU 85 Ca -0.09 -1.35 -0.20 0.00 -0.22 0.00 0.00 54.13 52.27 2jpe s LEU 85 Cb -0.04 -1.32 0.03 0.00 0.50 0.00 0.00 46.19 45.36 2jpe s LEU 85 CO -0.01 -0.24 0.62 -0.63 -1.32 0.00 0.00 176.35 174.77 2jpe s ILE 86 N 1.27 4.85 -0.87 6.68 1.01 0.77 -2.79 121.20 132.13 2jpe s ILE 86 Ca -0.05 -0.06 -0.25 0.00 0.00 0.00 0.00 60.65 60.30 2jpe s ILE 86 Cb -0.19 -4.21 -0.03 0.00 0.01 0.00 0.00 42.46 38.04 2jpe s ILE 86 CO -0.07 -0.63 1.86 -0.62 0.00 0.00 0.00 174.94 175.48 2jpe s ASP 87 N 2.13 5.35 -1.15 3.58 2.15 -1.25 -1.87 116.67 125.60 2jpe s ASP 87 Ca 0.20 -0.60 -0.24 0.00 0.43 0.00 0.00 52.55 52.34 2jpe s ASP 87 Cb -0.15 -2.56 -0.13 0.00 -0.30 0.00 0.00 42.92 39.78 2jpe s ASP 87 CO 0.17 -2.52 1.99 -0.76 -0.17 0.00 0.00 175.17 173.88 2jpe s LEU 88 N 9.21 2.84 -0.98 -1.34 1.43 -1.15 -1.70 118.68 127.00 2jpe s LEU 88 Ca 0.66 -1.45 -0.07 0.00 -1.03 0.00 0.00 54.13 52.25 2jpe s LEU 88 Cb -0.07 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.57 2jpe s LEU 88 CO 0.02 -3.59 0.12 -0.46 0.23 0.00 0.00 176.35 172.68 2jpe n ASN 89 N 16.00 -0.28 -4.68 2.29 0.23 -1.24 -4.64 115.26 122.94 2jpe n ASN 89 Ca 0.44 -0.87 -0.44 0.00 -0.53 0.00 0.00 54.58 53.18 2jpe n ASN 89 Cb 0.47 -1.06 -0.02 0.00 -2.08 0.00 0.00 39.78 37.08 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 -1.64 2.79 -0.29 0.53 2.88 -1.25 -4.82 113.62 111.83 2jpe n SER 90 Ca -0.18 1.17 0.10 0.00 -1.33 0.00 0.00 58.87 58.63 2jpe n SER 90 Cb 0.44 -1.45 0.21 0.00 -0.75 0.00 0.00 64.21 62.66 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 1.36 -0.35 0.00 2.46 5.66 -1.26 -3.59 114.28 118.55 2jpe n THR 91 Ca 0.09 1.86 0.00 0.00 -3.05 0.00 0.00 64.05 62.95 2jpe n THR 91 Cb 0.33 -2.68 0.00 0.00 -1.55 0.00 0.00 70.33 66.43 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 -5.25 0.00 0.00 1.09 8.25 -1.26 -5.14 115.22 112.91 2jpe n HIS 92 Ca 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.64 2jpe n HIS 92 Cb 0.58 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.69 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 2.33 2.04 3.51 -1.41 0.00 -1.24 -4.99 105.19 105.44 2jpe n GLY 93 Ca 0.00 -0.88 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 2.99 0.19 2.61 2.01 -1.26 0.22 115.64 120.39 2jpe s THR 94 Ca 0.00 -1.45 0.01 0.00 0.31 0.00 0.00 61.69 60.56 2jpe s THR 94 Cb 0.00 -2.38 -0.04 0.00 0.01 0.00 0.00 72.50 70.08 2jpe s THR 94 CO 0.00 0.10 0.06 -0.36 -0.69 0.00 0.00 174.62 173.73 2jpe s PHE 95 N -1.18 1.21 -0.60 4.92 0.40 -0.26 -0.41 117.98 122.06 2jpe s PHE 95 Ca 0.19 -1.17 0.04 0.00 -0.60 0.00 0.00 56.93 55.39 2jpe s PHE 95 Cb -0.11 -0.68 0.35 0.00 0.51 0.00 0.00 43.02 43.10 2jpe s PHE 95 CO 0.11 -0.39 1.05 -0.11 0.70 0.00 0.00 175.22 176.59 2jpe n LEU 96 N -0.27 4.79 0.00 -0.37 7.94 0.13 -1.44 117.00 127.79 2jpe n LEU 96 Ca -0.03 -5.60 0.00 0.00 -1.11 0.00 0.00 56.01 49.27 2jpe n LEU 96 Cb 0.65 -0.60 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2jpe n LEU 96 CO 0.34 2.31 0.00 0.61 -1.11 0.00 0.00 177.39 179.54 2jpe n GLY 97 N -0.27 2.12 0.28 -3.96 0.00 0.30 -3.81 105.19 99.85 2jpe n GLY 97 Ca 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -4.48 1.61 1.44 -1.26 -4.85 115.22 107.69 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 2.11 -0.07 0.61 1.01 -1.25 -5.13 121.20 118.48 2jpe s ILE 99 Ca 0.00 -1.63 -0.04 0.00 0.00 0.00 0.00 60.65 58.98 2jpe s ILE 99 Cb 0.00 -1.86 -0.04 0.00 0.01 0.00 0.00 42.46 40.57 2jpe s ILE 99 CO 0.00 0.12 0.11 0.00 0.00 0.00 0.00 174.94 175.17 2jpe s ARG 100 N -1.84 3.28 0.08 2.79 1.04 -1.26 0.21 118.95 123.25 2jpe s ARG 100 Ca 0.12 -0.29 0.07 0.00 -1.04 0.00 0.00 55.73 54.59 2jpe s ARG 100 Cb -0.10 -3.03 -0.04 0.00 -2.04 0.00 0.00 34.95 29.74 2jpe s ARG 100 CO 0.05 0.72 -0.11 -0.51 -0.04 0.00 0.00 175.30 175.41 2jpe s LEU 101 N -1.31 2.99 0.43 -1.89 1.43 0.45 -4.91 118.68 115.87 2jpe s LEU 101 Ca 0.18 -0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 52.70 2jpe s LEU 101 Cb -0.12 -1.78 -0.10 0.00 0.03 0.00 0.00 46.19 44.22 2jpe s LEU 101 CO 0.08 0.20 0.98 -1.61 0.23 0.00 0.00 176.35 176.23 2jpe s GLU 102 N -2.01 4.17 -0.80 1.70 0.41 -1.25 -4.37 118.70 116.54 2jpe s GLU 102 Ca 0.20 1.24 -0.06 0.00 -0.41 0.00 0.00 54.97 55.93 2jpe s GLU 102 Cb -0.11 -2.27 -0.11 0.00 -1.78 0.00 0.00 34.13 29.85 2jpe s GLU 102 CO 0.12 -0.10 2.60 -0.35 -0.49 0.00 0.00 175.26 177.04 2jpe n PRO 103 N -0.51 2.34 0.00 0.39 -0.04 -1.26 -2.83 135.00 133.09 2jpe n PRO 103 Ca 0.07 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2jpe n PRO 103 Cb 0.53 -2.35 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 3.48 0.00 -2.76 0.54 8.25 -0.69 -3.61 115.22 120.43 2jpe n HIS 104 Ca 0.50 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.54 2jpe n HIS 104 Cb 0.35 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.43 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 4.49 0.72 -0.41 1.02 -1.13 -4.77 119.74 119.65 2jpe s LYS 105 Ca 0.00 1.31 -0.11 0.00 0.02 0.00 0.00 55.97 57.19 2jpe s LYS 105 Cb 0.00 -3.49 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2jpe s LYS 105 CO 0.00 -0.13 1.07 -1.25 -0.92 0.00 0.00 175.35 174.12 2jpe s PRO 106 N 1.35 2.76 -0.14 -1.68 0.04 -1.26 -3.88 135.00 132.18 2jpe s PRO 106 Ca 0.48 0.89 -0.04 0.00 0.04 0.00 0.00 61.00 62.37 2jpe s PRO 106 Cb -0.19 -1.97 0.06 0.00 0.04 0.00 0.00 34.50 32.43 2jpe s PRO 106 CO 0.23 -1.21 0.12 -1.14 0.04 0.00 0.00 177.00 175.04 2jpe s GLN 107 N -5.07 0.06 1.00 4.56 2.00 -1.12 -4.92 119.66 116.18 2jpe s GLN 107 Ca 0.59 0.13 -0.20 0.00 -2.00 0.00 0.00 55.36 53.88 2jpe s GLN 107 Cb -0.14 -1.29 -0.12 0.00 0.80 0.00 0.00 33.01 32.25 2jpe s GLN 107 CO 0.55 -0.57 -0.85 0.00 -0.50 0.00 0.00 175.29 173.92 2jpe n GLN 108 N 5.30 -0.17 -3.61 1.67 10.64 -1.26 -1.56 117.38 128.39 2jpe n GLN 108 Ca -0.06 -0.04 -0.26 0.00 -1.83 0.00 0.00 57.00 54.81 2jpe n GLN 108 Cb 0.49 -1.16 -0.17 0.00 -0.86 0.00 0.00 30.24 28.55 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 -0.07 0.71 -0.39 -1.09 0.67 -4.67 121.20 114.30 2jpe s ILE 109 Ca 0.42 -0.18 -0.11 0.00 -2.23 0.00 0.00 60.65 58.55 2jpe s ILE 109 Cb -0.08 -0.59 0.02 0.00 -1.58 0.00 0.00 42.46 40.22 2jpe s ILE 109 CO 0.74 -0.29 1.06 -2.16 -1.23 0.00 0.00 174.94 173.07 2jpe s PRO 110 N 2.13 2.83 0.61 2.79 0.04 -1.26 -3.59 135.00 138.55 2jpe s PRO 110 Ca 0.02 0.91 -0.18 0.00 0.04 0.00 0.00 61.00 61.80 2jpe s PRO 110 Cb -0.16 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.38 2jpe s PRO 110 CO -0.09 -1.17 1.16 0.42 0.04 0.00 0.00 177.00 177.36 2jpe s ILE 111 N -3.06 2.92 -1.46 0.56 -1.09 -1.26 -2.20 121.20 115.61 2jpe s ILE 111 Ca 0.58 0.52 0.00 0.00 -2.23 0.00 0.00 60.65 59.52 2jpe s ILE 111 Cb -0.14 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 2jpe s ILE 111 CO 0.55 -0.18 0.00 0.47 -1.23 0.00 0.00 174.94 174.55 2jpe n ASP 112 N -1.86 -3.70 -2.27 3.58 8.00 0.33 -4.91 116.55 115.73 2jpe n ASP 112 Ca 0.12 0.33 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2jpe n ASP 112 Cb 0.51 -3.41 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jpe n SER 113 N -0.66 -0.38 -3.67 -2.24 2.88 -0.93 -4.87 113.62 103.76 2jpe n SER 113 Ca -0.14 -0.74 -0.08 0.00 -1.33 0.00 0.00 58.87 56.57 2jpe n SER 113 Cb 0.47 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.83 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 -0.93 -0.44 0.04 2.46 2.01 -1.25 -3.69 115.64 113.84 2jpe s THR 114 Ca 0.00 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.20 2jpe s THR 114 Cb 0.00 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.78 2jpe s THR 114 CO 0.00 0.05 -0.22 0.68 -0.69 0.00 0.00 174.62 174.43 2jpe s VAL 115 N 2.19 1.81 -0.18 3.82 -7.23 0.20 0.11 120.40 121.12 2jpe s VAL 115 Ca -0.05 -1.26 -0.02 0.00 -1.81 0.00 0.00 61.98 58.84 2jpe s VAL 115 Cb -0.10 -1.57 0.05 0.00 0.56 0.00 0.00 36.38 35.32 2jpe s VAL 115 CO -0.14 0.26 0.02 -0.94 -0.31 0.00 0.00 175.10 173.99 2jpe s SER 116 N -1.19 2.73 1.07 4.85 1.04 -0.52 -0.67 113.70 121.01 2jpe s SER 116 Ca 0.09 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 55.76 2jpe s SER 116 Cb -0.09 -0.61 0.07 0.00 0.10 0.00 0.00 66.02 65.49 2jpe s SER 116 CO 0.02 -0.28 0.21 0.49 0.98 0.00 0.00 173.24 174.65 2jpe n PHE 117 N 5.04 -2.91 0.00 5.02 3.01 -1.22 -1.10 117.46 125.30 2jpe n PHE 117 Ca -0.09 -0.19 0.00 0.00 1.01 0.00 0.00 57.45 58.18 2jpe n PHE 117 Cb 0.48 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 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 0.31 -2.41 0.00 1.37 0.00 0.58 -4.57 105.19 100.47 2jpe n GLY 118 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.36 -0.05 -1.00 4.61 0.00 -1.26 -4.72 120.51 116.74 2jpe n ALA 119 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 2jpe n ALA 119 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 2jpe n ALA 119 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jpe n SER 120 N -1.27 0.09 0.00 0.00 3.41 -1.26 -4.64 113.62 109.95 2jpe n SER 120 Ca 0.00 0.08 0.06 0.00 -0.26 0.00 0.00 58.87 58.75 2jpe n SER 120 Cb 0.00 -0.59 0.31 0.00 -0.26 0.00 0.00 64.21 63.67 2jpe n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jpe n THR 121 N 4.87 0.85 -0.81 6.66 -2.24 -1.26 -3.37 114.28 118.98 2jpe n THR 121 Ca 0.44 0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 62.11 2jpe n THR 121 Cb 0.03 -0.99 0.10 0.00 -2.10 0.00 0.00 70.33 67.36 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 -1.38 -0.87 -3.14 -0.78 5.12 -1.26 -4.79 116.66 109.55 2jpe n ARG 122 Ca 0.05 -0.25 -0.22 0.00 -1.93 0.00 0.00 57.85 55.50 2jpe n ARG 122 Cb 0.13 -1.32 -0.04 0.00 -1.16 0.00 0.00 32.46 30.06 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 -3.94 2.87 -1.08 7.54 0.00 0.48 -4.34 120.51 122.03 2jpe n ALA 123 Ca -0.00 -3.82 -0.49 0.00 0.00 0.00 0.00 53.44 49.13 2jpe n ALA 123 Cb 0.63 -0.86 -0.09 0.00 0.00 0.00 0.00 19.45 19.12 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 0.35 1.02 -3.43 0.00 4.01 0.16 -3.99 117.16 115.27 2jpe n TYR 124 Ca 0.26 0.67 -0.44 0.00 -0.16 0.00 0.00 57.90 58.23 2jpe n TYR 124 Cb 0.56 -1.83 -0.04 0.00 -0.31 0.00 0.00 39.34 37.71 2jpe n TYR 124 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 2jpe s THR 125 N 4.40 5.13 -0.30 -0.72 2.01 -1.08 -0.63 115.64 124.45 2jpe s THR 125 Ca 0.94 -2.56 -0.28 0.00 0.31 0.00 0.00 61.69 60.11 2jpe s THR 125 Cb -1.21 -4.20 -0.04 0.00 0.01 0.00 0.00 72.50 67.06 2jpe s THR 125 CO 0.55 -0.99 2.11 -0.22 -0.69 0.00 0.00 174.62 175.39 2jpe s LEU 126 N 0.15 3.44 0.00 4.42 1.98 -1.24 -3.73 118.68 123.71 2jpe s LEU 126 Ca 0.17 1.56 0.03 0.00 -2.89 0.00 0.00 54.13 53.00 2jpe s LEU 126 Cb -0.13 -3.35 0.04 0.00 0.66 0.00 0.00 46.19 43.41 2jpe s LEU 126 CO -0.07 -2.02 0.35 -1.14 -1.89 0.00 0.00 176.35 171.58 2jpe n ARG 127 N 8.72 0.75 -3.22 1.98 3.00 -1.08 0.12 116.66 126.94 2jpe n ARG 127 Ca 0.28 -1.30 -0.01 0.00 -0.00 0.00 0.00 57.85 56.82 2jpe n ARG 127 Cb 0.47 -0.13 -0.03 0.00 0.00 0.00 0.00 32.46 32.77 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 -3.18 0.49 -0.83 -0.14 2.12 -1.26 -3.90 118.70 111.99 2jpe s GLU 128 Ca 0.26 0.60 -0.22 0.00 0.36 0.00 0.00 54.97 55.98 2jpe s GLU 128 Cb -0.02 0.10 -0.21 0.00 0.26 0.00 0.00 34.13 34.27 2jpe s GLU 128 CO 0.17 -0.84 2.15 1.63 -0.54 0.00 0.00 175.26 177.83 2jpe n LYS 129 N 5.40 0.00 0.00 4.30 5.02 0.23 -4.84 118.16 128.26 2jpe n LYS 129 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2jpe n LYS 129 Cb 0.51 -1.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.37 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 -1.46 1.97 -0.04 -1.26 -4.79 135.00 136.61 2jpe n PRO 130 Ca 0.55 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.65 2jpe n PRO 130 Cb 0.05 0.00 0.07 0.00 -0.04 0.00 0.00 33.50 33.57 2jpe n PRO 130 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jpe n GLN 131 N -0.28 0.62 0.00 0.54 0.00 -1.26 -5.14 117.38 111.86 2jpe n GLN 131 Ca 0.00 0.26 0.16 0.00 0.00 0.00 0.00 57.00 57.42 2jpe n GLN 131 Cb 0.00 -2.10 0.91 0.00 0.00 0.00 0.00 30.24 29.04 2jpe n GLN 131 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69