#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 -0.63 -4.02 3.04 0.00 -1.26 -2.28 120.51 115.37 2jpe n ALA 2 Ca 0.00 0.18 -0.27 0.00 0.00 0.00 0.00 53.44 53.36 2jpe n ALA 2 Cb 0.00 -2.51 -0.03 0.00 0.00 0.00 0.00 19.45 16.91 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 -2.44 -1.97 -3.63 0.00 0.00 -1.26 -4.92 120.51 106.29 2jpe n ALA 3 Ca -0.16 -0.27 -0.29 0.00 0.00 0.00 0.00 53.44 52.72 2jpe n ALA 3 Cb 0.63 -1.50 -0.13 0.00 0.00 0.00 0.00 19.45 18.45 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 -3.98 1.80 -0.50 0.00 0.00 -0.96 -5.04 121.76 113.08 2jpe s ALA 4 Ca 0.04 -2.40 0.03 0.00 0.00 0.00 0.00 51.96 49.64 2jpe s ALA 4 Cb -0.02 -1.80 0.14 0.00 0.00 0.00 0.00 23.12 21.43 2jpe s ALA 4 CO 0.90 -2.07 0.27 0.54 0.00 0.00 0.00 175.76 175.40 2jpe s VAL 5 N 0.52 2.05 -0.44 0.00 0.11 -1.26 -4.27 120.40 117.11 2jpe s VAL 5 Ca 0.18 -3.06 0.02 0.00 -2.93 0.00 0.00 61.98 56.20 2jpe s VAL 5 Cb -0.23 -2.42 0.15 0.00 -1.53 0.00 0.00 36.38 32.36 2jpe s VAL 5 CO -0.00 -0.87 0.29 0.54 -3.33 0.00 0.00 175.10 171.73 2jpe s ASN 6 N -0.11 2.87 -0.43 3.54 2.20 -1.26 -4.95 114.94 116.80 2jpe s ASN 6 Ca 0.18 -2.80 0.04 0.00 -0.94 0.00 0.00 52.86 49.35 2jpe s ASN 6 Cb -0.23 -0.74 0.44 0.00 -2.00 0.00 0.00 41.25 38.73 2jpe s ASN 6 CO -0.02 -0.23 1.38 -0.24 -2.94 0.00 0.00 177.10 175.05 2jpe n SER 7 N 3.26 5.54 0.00 3.54 2.88 -1.26 -5.06 113.62 122.52 2jpe n SER 7 Ca 0.18 -3.76 0.00 0.00 -1.33 0.00 0.00 58.87 53.96 2jpe n SER 7 Cb 0.40 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.33 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 -0.68 -1.71 2.66 0.46 0.00 -1.26 -4.94 105.19 99.72 2jpe n GLY 8 Ca 0.47 -2.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.18 2jpe n GLY 8 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jpe s SER 9 N -4.00 2.61 0.03 1.61 0.01 -1.26 -5.11 113.70 107.59 2jpe s SER 9 Ca 0.00 -0.72 -0.22 0.00 1.31 0.00 0.00 55.95 56.32 2jpe s SER 9 Cb 0.00 -0.39 0.08 0.00 0.21 0.00 0.00 66.02 65.91 2jpe s SER 9 CO 0.00 -0.33 1.03 -0.24 0.41 0.00 0.00 173.24 174.11 2jpe n SER 10 N 5.18 -1.15 -4.20 2.44 2.88 -1.26 -5.15 113.62 112.36 2jpe n SER 10 Ca -0.08 -1.37 -0.36 0.00 -1.33 0.00 0.00 58.87 55.73 2jpe n SER 10 Cb 0.48 1.82 0.06 0.00 -0.75 0.00 0.00 64.21 65.82 2jpe n SER 10 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2jpe n LEU 11 N 0.00 -3.38 0.00 2.46 7.99 -1.26 -4.97 117.00 117.84 2jpe n LEU 11 Ca 0.02 0.34 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 2jpe n LEU 11 Cb 0.49 -0.94 0.00 0.00 -0.11 0.00 0.00 43.42 42.86 2jpe n LEU 11 CO 0.14 -4.89 0.00 -0.81 -1.51 0.00 0.00 177.39 170.32 2jpe n PRO 12 N 0.93 0.72 -0.04 3.23 -0.04 -1.26 -5.03 135.00 133.50 2jpe n PRO 12 Ca 0.03 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.44 2jpe n PRO 12 Cb 0.53 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.93 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 0.69 -3.77 1.53 -0.00 -1.26 -5.07 117.00 109.12 2jpe n LEU 13 Ca 0.00 -0.01 -0.10 0.00 -0.00 0.00 0.00 56.01 55.90 2jpe n LEU 13 Cb 0.00 0.07 -0.04 0.00 -0.00 0.00 0.00 43.42 43.44 2jpe n LEU 13 CO 0.00 0.31 0.20 0.12 -0.00 0.00 0.00 177.39 178.02 2jpe s PHE 14 N -2.20 -0.02 -0.13 1.47 5.36 -1.26 -5.04 117.98 116.17 2jpe s PHE 14 Ca -0.06 -0.32 -0.03 0.00 -0.96 0.00 0.00 56.93 55.56 2jpe s PHE 14 Cb 0.03 0.29 0.05 0.00 -0.34 0.00 0.00 43.02 43.04 2jpe s PHE 14 CO 0.31 -0.86 0.04 0.34 -1.46 0.00 0.00 175.22 173.59 2jpe s ASP 15 N -2.89 2.08 0.35 6.13 3.68 -1.26 -5.12 116.67 119.64 2jpe s ASP 15 Ca 0.10 -0.40 -0.29 0.00 2.13 0.00 0.00 52.55 54.09 2jpe s ASP 15 Cb 0.00 -0.39 -0.11 0.00 -1.45 0.00 0.00 42.92 40.98 2jpe s ASP 15 CO -0.03 -0.27 1.43 0.00 0.13 0.00 0.00 175.17 176.42 2jpe n PRO 17 N 0.80 0.72 0.00 0.00 -0.04 -1.26 -5.00 135.00 130.21 2jpe n PRO 17 Ca 0.01 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 2jpe n PRO 17 Cb 0.40 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 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 -0.62 0.00 1.18 0.52 5.66 -1.26 -4.33 114.28 115.44 2jpe n THR 18 Ca 0.00 -0.42 0.12 0.00 -3.05 0.00 0.00 64.05 60.71 2jpe n THR 18 Cb 0.00 1.10 0.25 0.00 -1.55 0.00 0.00 70.33 70.13 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 -0.26 0.00 -2.48 1.09 4.27 -1.26 -4.90 117.44 113.90 2jpe n TRP 19 Ca 0.04 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 2jpe n TRP 19 Cb 0.18 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 30.05 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 3.40 -0.05 -1.67 0.00 -1.26 0.11 121.76 119.99 2jpe s ALA 20 Ca 0.26 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 53.05 2jpe s ALA 20 Cb 0.19 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.98 2jpe s ALA 20 CO 0.45 -0.20 0.12 0.20 0.00 0.00 0.00 175.76 176.34 2jpe s GLY 21 N -0.46 -0.08 -0.29 0.00 0.00 -0.67 -4.73 107.32 101.09 2jpe s GLY 21 Ca 0.47 0.38 -0.39 0.00 0.00 0.00 0.00 44.72 45.18 2jpe s GLY 21 CO 0.38 0.38 1.85 1.17 0.00 0.00 0.00 173.10 176.88 2jpe n LYS 22 N 3.18 1.16 -2.11 2.90 3.00 -1.26 -4.66 118.16 120.37 2jpe n LYS 22 Ca -0.14 0.41 -0.33 0.00 -0.00 0.00 0.00 58.31 58.25 2jpe n LYS 22 Cb 0.58 -2.18 0.00 0.00 0.00 0.00 0.00 35.03 33.44 2jpe n LYS 22 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2jpe s PRO 23 N 4.15 3.42 0.60 1.64 0.04 -1.26 -5.04 135.00 138.56 2jpe s PRO 23 Ca 1.01 1.17 -0.15 0.00 0.04 0.00 0.00 61.00 63.07 2jpe s PRO 23 Cb -1.03 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.43 2jpe s PRO 23 CO 0.62 -0.73 1.05 -1.25 0.04 0.00 0.00 177.00 176.74 2jpe s PRO 24 N -4.05 3.33 -1.16 0.56 0.04 -1.26 -4.69 135.00 127.76 2jpe s PRO 24 Ca 0.63 1.14 -0.19 0.00 0.04 0.00 0.00 61.00 62.62 2jpe s PRO 24 Cb -0.15 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2jpe s PRO 24 CO 0.36 -0.80 1.96 -0.35 0.04 0.00 0.00 177.00 178.21 2jpe n PRO 25 N -2.16 2.27 -0.88 0.56 -0.04 -1.26 -3.74 135.00 129.75 2jpe n PRO 25 Ca 0.08 -2.51 -0.03 0.00 -0.04 0.00 0.00 63.50 61.01 2jpe n PRO 25 Cb 0.53 -3.33 -0.02 0.00 -0.04 0.00 0.00 33.50 30.65 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 4.89 -0.05 3.36 0.55 0.00 -1.26 -5.04 105.19 107.64 2jpe n GLY 26 Ca 0.49 -0.01 -0.18 0.00 0.00 0.00 0.00 46.02 46.32 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 -0.23 2.17 -0.27 0.99 1.43 -1.25 0.18 118.68 121.70 2jpe s LEU 27 Ca 0.00 -1.26 -0.28 0.00 -1.03 0.00 0.00 54.13 51.56 2jpe s LEU 27 Cb 0.02 -0.30 0.18 0.00 0.03 0.00 0.00 46.19 46.13 2jpe s LEU 27 CO -0.01 -0.53 1.33 -1.38 0.23 0.00 0.00 176.35 175.99 2jpe s HIS 28 N -3.39 -0.10 0.49 0.29 -3.43 -1.26 -4.02 115.29 103.88 2jpe s HIS 28 Ca 0.31 0.19 -0.02 0.00 -0.80 0.00 0.00 55.06 54.74 2jpe s HIS 28 Cb 0.06 0.48 0.10 0.00 -1.43 0.00 0.00 32.58 31.80 2jpe s HIS 28 CO 0.11 -0.08 0.67 1.28 -2.00 0.00 0.00 174.74 174.73 2jpe n LEU 29 N 0.90 0.00 -3.72 5.38 4.77 0.50 -2.05 117.00 122.79 2jpe n LEU 29 Ca -0.04 -1.25 -0.05 0.00 -0.03 0.00 0.00 56.01 54.64 2jpe n LEU 29 Cb 0.58 -0.46 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2jpe n LEU 29 CO 0.06 -0.87 0.68 -1.81 -1.33 0.00 0.00 177.39 174.12 2jpe s ASP 30 N -3.67 -0.23 -0.03 -1.43 1.11 -1.18 -2.32 116.67 108.92 2jpe s ASP 30 Ca 0.43 -0.35 -0.05 0.00 0.18 0.00 0.00 52.55 52.76 2jpe s ASP 30 Cb -0.02 0.50 0.01 0.00 1.07 0.00 0.00 42.92 44.48 2jpe s ASP 30 CO 0.29 -0.91 0.12 -0.69 1.18 0.00 0.00 175.17 175.16 2jpe s VAL 31 N -3.34 0.02 -0.04 -1.27 1.01 -0.80 -2.71 120.40 113.27 2jpe s VAL 31 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.88 2jpe s VAL 31 Cb -0.02 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.15 2jpe s VAL 31 CO 0.00 -0.10 0.08 -0.69 0.00 0.00 0.00 175.10 174.39 2jpe s VAL 32 N -0.31 -0.04 -0.09 2.92 1.01 -1.24 0.44 120.40 123.10 2jpe s VAL 32 Ca -0.04 0.16 0.30 0.00 0.00 0.00 0.00 61.98 62.40 2jpe s VAL 32 Cb -0.03 -0.14 0.34 0.00 0.00 0.00 0.00 36.38 36.55 2jpe s VAL 32 CO 0.00 0.06 1.90 0.07 0.00 0.00 0.00 175.10 177.14 2jpe h LYS 33 N 7.01 0.00 0.00 2.72 2.10 -1.68 1.51 116.57 128.22 2jpe h LYS 33 Ca -0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 2jpe h LYS 33 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2jpe h LYS 33 CO 0.46 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.32 2jpe n GLY 34 N -0.01 -0.00 0.11 0.07 0.00 -1.26 -4.75 105.19 99.34 2jpe n GLY 34 Ca 0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 0.31 -3.80 1.61 8.00 -1.26 -4.99 116.55 116.42 2jpe n ASP 35 Ca 0.00 -1.41 -0.21 0.00 0.71 0.00 0.00 54.79 53.88 2jpe n ASP 35 Cb 0.00 -0.06 -0.17 0.00 -0.02 0.00 0.00 41.12 40.87 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 -0.22 0.51 -0.11 -1.24 2.20 -1.26 -5.10 119.74 114.52 2jpe s LYS 36 Ca 0.01 0.08 -0.29 0.00 -0.36 0.00 0.00 55.97 55.41 2jpe s LYS 36 Cb 0.01 -0.78 -0.05 0.00 -1.51 0.00 0.00 37.83 35.50 2jpe s LYS 36 CO 0.00 -0.22 1.74 -1.17 -0.36 0.00 0.00 175.35 175.34 2jpe s LEU 37 N 1.53 4.12 0.00 5.43 1.98 -1.26 -1.78 118.68 128.70 2jpe s LEU 37 Ca -0.02 2.06 0.00 0.00 -2.89 0.00 0.00 54.13 53.28 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 -1.15 0.19 -0.38 -1.89 0.00 0.00 176.35 173.09 2jpe n ILE 38 N 6.00 0.00 -4.09 6.68 2.08 0.17 -4.94 119.36 125.27 2jpe n ILE 38 Ca 0.19 0.53 -0.05 0.00 0.56 0.00 0.00 62.75 63.98 2jpe n ILE 38 Cb 0.44 -1.22 -0.02 0.00 -0.75 0.00 0.00 39.64 38.09 2jpe n ILE 38 CO 0.00 0.00 0.00 -1.84 0.56 0.00 0.00 176.55 175.27 2jpe n GLU 39 N -1.38 0.46 -4.07 0.38 0.28 -1.22 -5.00 120.64 110.07 2jpe n GLU 39 Ca 0.00 -0.80 -0.11 0.00 -0.16 0.00 0.00 57.16 56.09 2jpe n GLU 39 Cb 0.00 0.55 -0.11 0.00 1.43 0.00 0.00 31.44 33.31 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 -2.34 0.57 0.15 3.44 2.20 -1.26 -1.90 119.74 120.59 2jpe s LYS 40 Ca 0.07 -0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 54.74 2jpe s LYS 40 Cb 0.00 -0.13 -0.04 0.00 -1.51 0.00 0.00 37.83 36.16 2jpe s LYS 40 CO 0.05 -0.01 0.10 -0.51 -0.36 0.00 0.00 175.35 174.62 2jpe s LEU 41 N -2.07 1.52 0.07 5.43 1.43 -0.98 -4.91 118.68 119.17 2jpe s LEU 41 Ca -0.04 -1.24 0.06 0.00 -1.03 0.00 0.00 54.13 51.87 2jpe s LEU 41 Cb -0.04 0.39 -0.04 0.00 0.03 0.00 0.00 46.19 46.53 2jpe s LEU 41 CO -0.02 -0.78 -0.09 -0.63 0.23 0.00 0.00 176.35 175.06 2jpe s ILE 42 N -4.08 3.47 0.00 -0.59 1.09 -1.26 0.19 121.20 120.02 2jpe s ILE 42 Ca 0.28 -1.09 0.00 0.00 -1.10 0.00 0.00 60.65 58.75 2jpe s ILE 42 Cb 0.07 -2.58 0.00 0.00 -1.06 0.00 0.00 42.46 38.89 2jpe s ILE 42 CO 0.05 0.22 0.72 2.30 -0.10 0.00 0.00 174.94 178.12 2jpe n ILE 43 N 1.02 0.00 -1.70 2.92 -6.64 -1.26 -4.60 119.36 109.10 2jpe n ILE 43 Ca -0.14 0.00 -0.34 0.00 -1.77 0.00 0.00 62.75 60.50 2jpe n ILE 43 Cb 0.52 0.72 0.05 0.00 -1.44 0.00 0.00 39.64 39.49 2jpe n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 2jpe n ASP 44 N 0.00 7.05 0.00 7.28 5.75 -1.26 -4.36 116.55 131.02 2jpe n ASP 44 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 54.79 50.99 2jpe n ASP 44 Cb 0.59 -0.88 0.00 0.00 -1.03 0.00 0.00 41.12 39.80 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2jpe n GLU 45 N -0.74 0.00 -3.25 0.11 1.02 -1.26 -4.58 120.64 111.94 2jpe n GLU 45 Ca 0.56 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.52 2jpe n GLU 45 Cb 0.57 -0.40 -0.02 0.00 -0.02 0.00 0.00 31.44 31.57 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 -2.55 1.15 0.00 3.49 -0.00 -1.26 -4.85 118.16 114.14 2jpe n LYS 46 Ca 0.00 -2.12 0.03 0.00 -0.00 0.00 0.00 58.31 56.22 2jpe n LYS 46 Cb 0.26 0.41 0.01 0.00 -0.00 0.00 0.00 35.03 35.71 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 -0.99 1.42 -3.59 -1.58 0.00 -1.26 -3.99 118.16 108.17 2jpe n LYS 47 Ca -0.07 -0.63 -0.02 0.00 -0.00 0.00 0.00 58.31 57.59 2jpe n LYS 47 Cb 0.38 -1.02 -0.05 0.00 -0.00 0.00 0.00 35.03 34.33 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 -0.83 -0.95 0.00 5.58 -0.85 -1.26 0.08 117.35 119.12 2jpe s TYR 48 Ca 0.06 1.74 0.00 0.00 -0.52 0.00 0.00 57.07 58.35 2jpe s TYR 48 Cb 0.05 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.96 2jpe s TYR 48 CO 0.13 -0.47 0.00 0.66 -1.52 0.00 0.00 175.55 174.35 2jpe n TYR 49 N 4.66 -0.13 -4.45 -3.49 4.01 0.88 -4.94 117.16 113.70 2jpe n TYR 49 Ca -0.15 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.36 2jpe n TYR 49 Cb 0.54 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.48 2jpe n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jpe s LEU 50 N 0.00 1.96 -0.30 7.72 1.43 -1.26 -1.96 118.68 126.27 2jpe s LEU 50 Ca 0.00 -1.56 -0.04 0.00 -1.03 0.00 0.00 54.13 51.50 2jpe s LEU 50 Cb 0.00 -0.12 0.19 0.00 0.03 0.00 0.00 46.19 46.29 2jpe s LEU 50 CO 0.00 -0.83 0.75 -0.36 0.23 0.00 0.00 176.35 176.14 2jpe s PHE 51 N -3.34 -1.27 0.00 0.29 0.08 0.11 -4.10 117.98 109.75 2jpe s PHE 51 Ca 0.30 1.24 0.00 0.00 0.12 0.00 0.00 56.93 58.59 2jpe s PHE 51 Cb 0.05 0.40 0.00 0.00 -0.57 0.00 0.00 43.02 42.90 2jpe s PHE 51 CO 0.15 -0.70 0.00 0.41 -0.10 0.00 0.00 175.22 174.98 2jpe n GLY 52 N 5.42 -0.11 0.35 4.36 0.00 -1.25 0.53 105.19 114.50 2jpe n GLY 52 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.65 1.61 1.74 -0.96 0.12 116.66 116.52 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 -0.05 -0.02 0.00 -1.02 0.00 0.00 32.46 31.37 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 -1.45 6.69 0.45 0.55 3.04 -1.22 -4.78 114.94 118.22 2jpe s ASN 54 Ca 0.00 0.57 0.25 0.00 0.04 0.00 0.00 52.86 53.72 2jpe s ASN 54 Cb 0.00 -2.53 0.75 0.00 -1.54 0.00 0.00 41.25 37.93 2jpe s ASN 54 CO 0.00 -1.12 1.75 1.55 -3.04 0.00 0.00 177.10 176.24 2jpe h PRO 55 N 8.91 0.00 0.00 0.43 0.13 -1.78 0.55 132.00 140.23 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 1.09 0.13 0.06 0.22 -0.23 0.00 0.00 178.00 179.27 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 1.82 -1.94 -3.17 116.42 114.57 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 2jpe h ASP 56 Cb 0.85 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.86 2jpe h ASP 56 CO 0.02 0.00 -0.85 0.18 -1.61 0.00 0.00 179.24 176.98 2jpe n LEU 57 N -2.61 0.07 -4.93 2.28 4.77 -1.10 -4.98 117.00 110.50 2jpe n LEU 57 Ca -0.02 0.01 -0.25 0.00 -0.03 0.00 0.00 56.01 55.72 2jpe n LEU 57 Cb 0.11 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2jpe n LEU 57 CO 0.13 -0.09 0.43 0.00 -1.33 0.00 0.00 177.39 176.53 2jpe n ASP 59 N -2.36 1.19 -1.92 0.00 2.03 -1.26 -4.10 116.55 110.14 2jpe n ASP 59 Ca 0.03 0.32 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2jpe n ASP 59 Cb 0.57 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.75 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 -3.15 -1.93 -3.66 -0.67 3.01 -1.26 -4.96 117.46 104.83 2jpe n PHE 60 Ca -0.23 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.16 2jpe n PHE 60 Cb 1.06 0.00 -0.08 0.00 -0.01 0.00 0.00 39.48 40.44 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 0.40 -0.57 0.29 4.37 -4.23 -1.26 -4.44 115.64 110.20 2jpe s THR 61 Ca 0.00 0.11 0.08 0.00 -1.18 0.00 0.00 61.69 60.70 2jpe s THR 61 Cb 0.00 -0.76 0.02 0.00 1.34 0.00 0.00 72.50 73.10 2jpe s THR 61 CO 0.00 0.04 1.68 0.40 -0.54 0.00 0.00 174.62 176.20 2jpe h ILE 62 N 5.93 1.35 -5.24 2.99 2.04 -0.64 -3.47 117.51 120.46 2jpe h ILE 62 Ca -0.21 -1.69 -0.04 0.00 1.00 0.00 0.00 64.86 63.92 2jpe h ILE 62 Cb 1.13 1.84 0.03 0.00 -0.74 0.00 0.00 36.82 39.09 2jpe h ILE 62 CO 0.15 0.50 -0.14 -0.67 0.00 0.00 0.00 178.15 177.98 2jpe n ASP 63 N -3.96 -7.28 -0.27 1.72 4.64 -1.25 -5.04 116.55 105.12 2jpe n ASP 63 Ca -0.02 -0.17 0.00 0.00 -1.38 0.00 0.00 54.79 53.22 2jpe n ASP 63 Cb 0.52 -5.04 0.00 0.00 -1.04 0.00 0.00 41.12 35.56 2jpe n ASP 63 CO 0.00 0.00 0.00 1.57 -0.82 0.00 0.00 177.20 177.95 2jpe n HIS 64 N -1.98 -0.06 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 0.99 0.08 1.57 10.64 -1.26 -4.74 117.38 124.65 2jpe n GLN 65 Ca 0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 2jpe n GLN 65 Cb 0.00 -0.96 -0.09 0.00 -0.86 0.00 0.00 30.24 28.33 2jpe n GLN 65 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 2jpe h SER 66 N 0.00 0.70 -2.04 2.61 4.64 -1.98 -3.46 113.55 114.02 2jpe h SER 66 Ca 0.00 -0.61 -0.43 0.00 -0.47 0.00 0.00 61.79 60.28 2jpe h SER 66 Cb 0.92 -0.22 0.23 0.00 -0.31 0.00 0.00 62.40 63.01 2jpe h SER 66 CO 0.00 1.42 -1.26 0.00 -0.87 0.00 0.00 176.83 176.12 2jpe s SER 68 N -1.72 1.94 0.24 0.00 0.15 -1.26 -4.99 113.70 108.06 2jpe s SER 68 Ca 0.50 -1.08 -0.04 0.00 0.70 0.00 0.00 55.95 56.04 2jpe s SER 68 Cb -0.07 -0.03 0.46 0.00 -1.71 0.00 0.00 66.02 64.67 2jpe s SER 68 CO 0.62 -0.36 1.28 0.54 1.20 0.00 0.00 173.24 176.51 2jpe n ARG 69 N -0.30 -0.07 -3.21 5.44 3.00 -1.26 -1.20 116.66 119.06 2jpe n ARG 69 Ca -0.08 1.26 -0.25 0.00 -0.01 0.00 0.00 57.85 58.77 2jpe n ARG 69 Cb 0.62 -1.92 -0.06 0.00 0.00 0.00 0.00 32.46 31.10 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 -5.28 1.43 -0.21 1.55 0.31 -1.26 -2.28 118.33 112.60 2jpe n VAL 70 Ca 0.15 -4.94 -0.01 0.00 -0.01 0.00 0.00 64.34 59.53 2jpe n VAL 70 Cb 0.48 -1.59 0.05 0.00 -0.91 0.00 0.00 33.84 31.87 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 3.64 -0.45 -2.11 3.52 2.76 0.61 -3.43 115.15 119.68 2jpe h HIS 71 Ca 0.14 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 2jpe h HIS 71 Cb 0.72 0.30 0.00 0.00 1.55 0.00 0.00 27.41 29.98 2jpe h HIS 71 CO 0.63 -0.30 0.02 0.00 -1.30 0.00 0.00 177.93 176.98 2jpe n ALA 72 N -3.09 -0.17 -3.35 5.26 0.00 0.19 -3.11 120.51 116.24 2jpe n ALA 72 Ca 0.07 -0.13 -0.14 0.00 0.00 0.00 0.00 53.44 53.24 2jpe n ALA 72 Cb 0.34 0.10 -0.09 0.00 0.00 0.00 0.00 19.45 19.80 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 -1.16 -1.13 0.16 0.00 0.00 -0.80 0.06 121.76 118.89 2jpe s ALA 73 Ca 0.02 1.05 -0.03 0.00 0.00 0.00 0.00 51.96 53.00 2jpe s ALA 73 Cb -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.62 2jpe s ALA 73 CO 0.01 -0.25 0.38 -1.17 0.00 0.00 0.00 175.76 174.73 2jpe s LEU 74 N -0.36 4.25 -0.13 0.00 0.20 -0.83 -0.47 118.68 121.35 2jpe s LEU 74 Ca -0.05 0.53 -0.05 0.00 0.69 0.00 0.00 54.13 55.25 2jpe s LEU 74 Cb -0.03 -3.27 0.06 0.00 -0.43 0.00 0.00 46.19 42.52 2jpe s LEU 74 CO 0.03 0.02 0.27 -0.69 -0.29 0.00 0.00 176.35 175.68 2jpe s VAL 75 N -1.73 -0.32 -0.53 1.68 1.01 0.34 -0.09 120.40 120.75 2jpe s VAL 75 Ca 0.40 0.24 -0.23 0.00 0.00 0.00 0.00 61.98 62.39 2jpe s VAL 75 Cb -0.12 -0.44 0.04 0.00 0.00 0.00 0.00 36.38 35.87 2jpe s VAL 75 CO 0.26 0.10 0.88 -0.47 0.00 0.00 0.00 175.10 175.87 2jpe s TYR 76 N 2.13 2.85 0.74 5.22 5.04 0.11 0.99 117.35 134.44 2jpe s TYR 76 Ca -0.02 -0.08 -0.16 0.00 -2.44 0.00 0.00 57.07 54.38 2jpe s TYR 76 Cb -0.12 -3.96 0.01 0.00 0.35 0.00 0.00 41.96 38.25 2jpe s TYR 76 CO -0.09 -1.27 0.91 1.58 -1.34 0.00 0.00 175.55 175.34 2jpe n HIS 77 N 7.19 0.43 -0.05 4.97 -0.00 0.48 -1.67 115.22 126.58 2jpe n HIS 77 Ca 0.01 0.38 -0.08 0.00 0.46 0.00 0.00 57.72 58.49 2jpe n HIS 77 Cb 0.47 -2.05 -0.04 0.00 -0.12 0.00 0.00 29.99 28.26 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 -1.84 0.22 0.09 1.57 2.85 0.29 -3.01 118.16 118.32 2jpe n LYS 78 Ca 0.12 0.07 0.11 0.00 -1.05 0.00 0.00 58.31 57.56 2jpe n LYS 78 Cb 0.50 -1.06 0.45 0.00 -0.65 0.00 0.00 35.03 34.26 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 -3.00 0.59 -0.02 5.58 8.25 -1.26 -2.92 115.22 122.44 2jpe n HIS 79 Ca -0.17 0.21 -0.01 0.00 -0.26 0.00 0.00 57.72 57.49 2jpe n HIS 79 Cb 0.66 -0.84 -0.05 0.00 1.12 0.00 0.00 29.99 30.88 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 -2.02 0.00 -1.88 2.41 4.77 -1.26 -5.02 117.00 114.00 2jpe n LEU 80 Ca 0.03 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.89 2jpe n LEU 80 Cb 0.26 0.10 0.02 0.00 -2.33 0.00 0.00 43.42 41.48 2jpe n LEU 80 CO 0.21 0.10 0.01 0.29 -1.33 0.00 0.00 177.39 176.67 2jpe n LYS 81 N -2.07 -3.00 -1.74 3.23 4.01 -1.15 -5.01 118.16 112.43 2jpe n LYS 81 Ca -0.07 0.52 0.00 0.00 -0.51 0.00 0.00 58.31 58.25 2jpe n LYS 81 Cb 0.54 -4.58 0.00 0.00 -0.51 0.00 0.00 35.03 30.48 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 -2.68 1.13 -4.35 1.97 1.74 -1.19 -4.93 116.66 108.35 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 0.57 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 -1.30 2.96 0.04 1.55 1.01 -1.24 0.18 120.40 123.59 2jpe s VAL 83 Ca 0.00 -2.06 -0.07 0.00 0.00 0.00 0.00 61.98 59.85 2jpe s VAL 83 Cb 0.00 -2.68 -0.00 0.00 0.00 0.00 0.00 36.38 33.69 2jpe s VAL 83 CO 0.00 -0.33 0.14 -0.36 0.00 0.00 0.00 175.10 174.55 2jpe s PHE 84 N -2.43 0.13 -0.27 5.22 0.40 0.28 0.26 117.98 121.58 2jpe s PHE 84 Ca 0.32 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.28 2jpe s PHE 84 Cb -0.04 -0.09 0.07 0.00 0.51 0.00 0.00 43.02 43.47 2jpe s PHE 84 CO 0.18 -0.38 -0.02 -1.17 0.70 0.00 0.00 175.22 174.53 2jpe s LEU 85 N -2.05 2.99 -0.48 -0.37 2.96 -0.51 -0.51 118.68 120.71 2jpe s LEU 85 Ca -0.06 -1.43 -0.21 0.00 -0.22 0.00 0.00 54.13 52.21 2jpe s LEU 85 Cb -0.02 -1.25 0.04 0.00 0.50 0.00 0.00 46.19 45.46 2jpe s LEU 85 CO -0.04 -0.28 0.72 -0.63 -1.32 0.00 0.00 176.35 174.80 2jpe s ILE 86 N 1.31 4.72 -1.18 6.68 1.01 0.39 -2.64 121.20 131.49 2jpe s ILE 86 Ca -0.01 0.01 -0.23 0.00 0.00 0.00 0.00 60.65 60.42 2jpe s ILE 86 Cb -0.19 -4.32 -0.09 0.00 0.01 0.00 0.00 42.46 37.88 2jpe s ILE 86 CO -0.09 -0.79 1.93 -1.81 0.00 0.00 0.00 174.94 174.19 2jpe s ASP 87 N 2.40 5.04 -0.85 3.58 1.11 -1.25 -1.90 116.67 124.80 2jpe s ASP 87 Ca 0.23 -1.65 -0.22 0.00 0.18 0.00 0.00 52.55 51.09 2jpe s ASP 87 Cb -0.15 -2.59 -0.19 0.00 1.07 0.00 0.00 42.92 41.06 2jpe s ASP 87 CO 0.17 -3.07 2.11 0.18 1.18 0.00 0.00 175.17 175.75 2jpe n LEU 88 N 14.35 0.89 -3.77 1.23 4.77 -1.18 -2.41 117.00 130.88 2jpe n LEU 88 Ca 0.45 -1.83 -0.23 0.00 -0.03 0.00 0.00 56.01 54.37 2jpe n LEU 88 Cb 0.47 -1.48 -0.06 0.00 -2.33 0.00 0.00 43.42 40.02 2jpe n LEU 88 CO 0.67 -2.88 -0.29 -0.46 -1.33 0.00 0.00 177.39 173.10 2jpe n ASN 89 N 16.61 0.12 -4.72 -1.43 0.23 -1.23 -4.59 115.26 120.25 2jpe n ASN 89 Ca 0.41 -0.87 -0.42 0.00 -0.53 0.00 0.00 54.58 53.17 2jpe n ASN 89 Cb 0.43 -1.07 -0.01 0.00 -2.08 0.00 0.00 39.78 37.05 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 -1.75 3.14 -0.28 0.53 2.88 -1.22 -4.84 113.62 112.09 2jpe n SER 90 Ca -0.20 1.20 0.01 0.00 -1.33 0.00 0.00 58.87 58.55 2jpe n SER 90 Cb 0.46 -1.52 0.05 0.00 -0.75 0.00 0.00 64.21 62.45 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 0.77 -0.37 -0.02 2.46 5.66 -1.26 -3.55 114.28 117.96 2jpe n THR 91 Ca 0.05 1.76 -0.03 0.00 -3.05 0.00 0.00 64.05 62.78 2jpe n THR 91 Cb 0.36 -2.36 -0.01 0.00 -1.55 0.00 0.00 70.33 66.78 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 -5.15 0.00 0.00 1.09 8.25 -1.26 -5.08 115.22 113.07 2jpe n HIS 92 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 2jpe n HIS 92 Cb 0.33 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.27 2jpe n HIS 92 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2jpe n GLY 93 N 2.06 1.87 3.59 -1.41 0.00 -1.23 -4.99 105.19 105.07 2jpe n GLY 93 Ca -0.05 -1.13 -0.26 0.00 0.00 0.00 0.00 46.02 44.58 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 3.29 0.13 2.61 2.01 -1.26 0.13 115.64 120.55 2jpe s THR 94 Ca 0.00 -1.65 0.01 0.00 0.31 0.00 0.00 61.69 60.35 2jpe s THR 94 Cb 0.00 -2.65 -0.04 0.00 0.01 0.00 0.00 72.50 69.82 2jpe s THR 94 CO 0.00 -0.14 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.43 2jpe s PHE 95 N -1.78 0.96 -0.52 4.92 0.40 -0.47 -0.16 117.98 121.33 2jpe s PHE 95 Ca 0.26 -1.06 0.05 0.00 -0.60 0.00 0.00 56.93 55.58 2jpe s PHE 95 Cb -0.09 -0.56 0.38 0.00 0.51 0.00 0.00 43.02 43.27 2jpe s PHE 95 CO 0.16 -0.30 1.08 -0.11 0.70 0.00 0.00 175.22 176.75 2jpe n LEU 96 N -0.11 4.74 0.00 -0.37 7.94 0.11 -1.28 117.00 128.02 2jpe n LEU 96 Ca -0.08 -5.41 0.00 0.00 -1.11 0.00 0.00 56.01 49.40 2jpe n LEU 96 Cb 0.62 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 44.04 2jpe n LEU 96 CO 0.31 2.28 0.00 0.61 -1.11 0.00 0.00 177.39 179.48 2jpe n GLY 97 N -0.38 2.11 0.01 -3.96 0.00 0.41 -3.94 105.19 99.44 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 -4.48 1.61 1.44 -1.26 -4.90 115.22 107.62 2jpe n HIS 98 Ca 0.00 -0.12 -0.24 0.00 -2.01 0.00 0.00 57.72 55.34 2jpe n HIS 98 Cb 0.00 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.00 2jpe n HIS 98 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jpe s ILE 99 N -0.25 2.44 0.09 0.61 1.01 -1.25 -5.15 121.20 118.69 2jpe s ILE 99 Ca 0.00 -2.37 0.09 0.00 0.00 0.00 0.00 60.65 58.37 2jpe s ILE 99 Cb 0.00 -2.36 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2jpe s ILE 99 CO 0.00 -0.36 -0.24 0.00 0.00 0.00 0.00 174.94 174.34 2jpe s ARG 100 N -3.53 1.38 0.27 2.79 1.04 -1.26 0.06 118.95 119.71 2jpe s ARG 100 Ca 0.30 -1.17 0.09 0.00 -1.04 0.00 0.00 55.73 53.92 2jpe s ARG 100 Cb -0.04 -1.67 -0.04 0.00 -2.04 0.00 0.00 34.95 31.16 2jpe s ARG 100 CO 0.15 0.41 0.01 -0.51 -0.04 0.00 0.00 175.30 175.32 2jpe s LEU 101 N -1.70 3.20 0.47 -1.89 1.43 0.78 -4.92 118.68 116.04 2jpe s LEU 101 Ca 0.10 -0.67 -0.10 0.00 -1.03 0.00 0.00 54.13 52.43 2jpe s LEU 101 Cb -0.10 -1.71 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 2jpe s LEU 101 CO 0.04 -0.03 0.83 -1.61 0.23 0.00 0.00 176.35 175.81 2jpe s GLU 102 N -3.69 3.72 -0.63 1.70 2.02 -1.25 -4.31 118.70 116.26 2jpe s GLU 102 Ca 0.32 0.50 -0.06 0.00 0.02 0.00 0.00 54.97 55.74 2jpe s GLU 102 Cb -0.06 -2.32 -0.13 0.00 0.10 0.00 0.00 34.13 31.72 2jpe s GLU 102 CO 0.20 -0.18 2.66 -0.35 0.02 0.00 0.00 175.26 177.61 2jpe n PRO 103 N -1.77 2.17 0.00 0.39 -0.04 -1.25 -3.06 135.00 131.44 2jpe n PRO 103 Ca 0.03 -1.28 0.00 0.00 -0.04 0.00 0.00 63.50 62.21 2jpe n PRO 103 Cb 0.54 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 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 3.30 0.00 -2.38 0.54 8.25 -1.01 -3.51 115.22 120.40 2jpe n HIS 104 Ca 0.46 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.50 2jpe n HIS 104 Cb 0.42 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 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 0.58 -0.41 1.02 -1.17 -4.73 119.74 119.35 2jpe s LYS 105 Ca 0.00 1.77 -0.16 0.00 0.02 0.00 0.00 55.97 57.60 2jpe s LYS 105 Cb 0.00 -3.57 -0.04 0.00 -0.52 0.00 0.00 37.83 33.70 2jpe s LYS 105 CO 0.00 -0.50 1.05 -1.25 -0.92 0.00 0.00 175.35 173.73 2jpe s PRO 106 N 2.32 3.41 -0.19 -1.68 0.04 -1.26 -3.74 135.00 133.90 2jpe s PRO 106 Ca 0.58 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.78 2jpe s PRO 106 Cb -0.27 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.28 2jpe s PRO 106 CO 0.23 -0.73 0.01 -1.14 0.04 0.00 0.00 177.00 175.40 2jpe s GLN 107 N -4.06 0.92 1.01 4.56 2.00 -1.08 -4.90 119.66 118.11 2jpe s GLN 107 Ca 0.63 -0.49 -0.20 0.00 -2.00 0.00 0.00 55.36 53.30 2jpe s GLN 107 Cb -0.15 -2.08 -0.12 0.00 0.80 0.00 0.00 33.01 31.46 2jpe s GLN 107 CO 0.36 -0.58 -0.84 0.00 -0.50 0.00 0.00 175.29 173.73 2jpe n GLN 108 N 4.97 -0.21 -3.59 1.67 10.64 -1.26 -1.43 117.38 128.17 2jpe n GLN 108 Ca -0.10 -0.05 -0.26 0.00 -1.83 0.00 0.00 57.00 54.76 2jpe n GLN 108 Cb 0.47 -1.18 -0.16 0.00 -0.86 0.00 0.00 30.24 28.50 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 -0.11 0.88 -0.39 -1.09 0.73 -4.67 121.20 114.49 2jpe s ILE 109 Ca 0.42 -0.22 -0.12 0.00 -2.23 0.00 0.00 60.65 58.51 2jpe s ILE 109 Cb -0.08 -0.62 0.12 0.00 -1.58 0.00 0.00 42.46 40.30 2jpe s ILE 109 CO 0.73 -0.32 1.13 -2.16 -1.23 0.00 0.00 174.94 173.09 2jpe s PRO 110 N 2.15 1.36 0.47 2.79 0.04 -1.26 -3.59 135.00 136.96 2jpe s PRO 110 Ca 0.03 0.37 -0.22 0.00 0.04 0.00 0.00 61.00 61.22 2jpe s PRO 110 Cb -0.16 -1.86 -0.08 0.00 0.04 0.00 0.00 34.50 32.45 2jpe s PRO 110 CO -0.12 -2.06 1.09 0.42 0.04 0.00 0.00 177.00 176.37 2jpe s ILE 111 N -3.25 3.47 -1.28 0.56 -1.09 -1.26 -2.51 121.20 115.84 2jpe s ILE 111 Ca 0.63 1.01 0.00 0.00 -2.23 0.00 0.00 60.65 60.06 2jpe s ILE 111 Cb -0.15 -3.46 0.00 0.00 -1.58 0.00 0.00 42.46 37.27 2jpe s ILE 111 CO 0.53 -0.11 0.00 0.47 -1.23 0.00 0.00 174.94 174.61 2jpe n ASP 112 N -0.71 -5.36 -2.73 3.58 8.00 0.19 -4.93 116.55 114.59 2jpe n ASP 112 Ca 0.08 0.30 -0.07 0.00 0.71 0.00 0.00 54.79 55.81 2jpe n ASP 112 Cb 0.50 -4.11 0.06 0.00 -0.02 0.00 0.00 41.12 37.55 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 -1.05 -1.16 -3.66 -2.24 2.88 -1.04 -4.85 113.62 102.50 2jpe n SER 113 Ca -0.12 -0.69 -0.07 0.00 -1.33 0.00 0.00 58.87 56.66 2jpe n SER 113 Cb 0.58 -0.23 -0.08 0.00 -0.75 0.00 0.00 64.21 63.73 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 -1.48 -0.36 0.23 2.46 2.01 -1.25 -3.55 115.64 113.70 2jpe s THR 114 Ca 0.17 0.06 0.11 0.00 0.31 0.00 0.00 61.69 62.34 2jpe s THR 114 Cb -0.02 -0.83 -0.05 0.00 0.01 0.00 0.00 72.50 71.62 2jpe s THR 114 CO 0.13 0.03 -0.21 0.68 -0.69 0.00 0.00 174.62 174.55 2jpe s VAL 115 N 2.06 2.33 -0.16 3.82 -7.23 0.14 0.15 120.40 121.51 2jpe s VAL 115 Ca -0.07 -2.20 -0.04 0.00 -1.81 0.00 0.00 61.98 57.86 2jpe s VAL 115 Cb -0.09 -2.17 0.08 0.00 0.56 0.00 0.00 36.38 34.75 2jpe s VAL 115 CO -0.16 -0.29 0.20 -0.94 -0.31 0.00 0.00 175.10 173.60 2jpe s SER 116 N -3.08 1.21 0.62 4.85 1.04 -0.41 -0.90 113.70 117.04 2jpe s SER 116 Ca 0.24 -0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.50 2jpe s SER 116 Cb -0.06 0.32 -0.03 0.00 0.10 0.00 0.00 66.02 66.36 2jpe s SER 116 CO 0.12 -0.30 1.05 -0.36 0.98 0.00 0.00 173.24 174.73 2jpe s PHE 117 N 2.31 3.10 0.00 5.02 0.40 -1.26 -1.37 117.98 126.17 2jpe s PHE 117 Ca 0.05 1.47 0.00 0.00 -0.60 0.00 0.00 56.93 57.85 2jpe s PHE 117 Cb -0.14 -2.93 0.00 0.00 0.51 0.00 0.00 43.02 40.45 2jpe s PHE 117 CO -0.10 -1.06 0.69 0.41 0.70 0.00 0.00 175.22 175.86 2jpe n GLY 118 N -1.45 -2.91 0.00 4.36 0.00 0.34 -3.95 105.19 101.58 2jpe n GLY 118 Ca 0.08 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.23 0.00 -0.44 4.61 0.00 -1.26 -4.54 120.51 117.65 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 0.21 0.28 0.00 0.00 0.00 0.00 19.45 19.94 2jpe n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jpe s SER 120 N -2.81 -0.58 -0.05 0.00 0.15 -1.25 -4.86 113.70 104.29 2jpe s SER 120 Ca 0.00 0.98 0.23 0.00 0.70 0.00 0.00 55.95 57.87 2jpe s SER 120 Cb 0.00 -1.43 0.44 0.00 -1.71 0.00 0.00 66.02 63.31 2jpe s SER 120 CO 0.00 -5.09 1.17 0.35 1.20 0.00 0.00 173.24 170.88 2jpe n THR 121 N -5.46 0.44 -0.97 6.45 -2.24 -1.26 -4.38 114.28 106.86 2jpe n THR 121 Ca 0.10 -1.51 -0.14 0.00 -2.27 0.00 0.00 64.05 60.24 2jpe n THR 121 Cb 0.59 0.83 0.11 0.00 -2.10 0.00 0.00 70.33 69.76 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 0.18 -1.60 -3.09 -0.78 5.12 -1.26 -4.76 116.66 110.47 2jpe n ARG 122 Ca 0.08 -0.88 -0.17 0.00 -1.93 0.00 0.00 57.85 54.95 2jpe n ARG 122 Cb 1.06 -0.74 -0.02 0.00 -1.16 0.00 0.00 32.46 31.59 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 -3.74 2.43 -1.46 7.54 0.00 0.52 -4.30 120.51 121.50 2jpe n ALA 123 Ca -0.10 -3.46 -0.58 0.00 0.00 0.00 0.00 53.44 49.30 2jpe n ALA 123 Cb 0.28 -0.91 -0.09 0.00 0.00 0.00 0.00 19.45 18.72 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 0.18 1.54 -3.56 0.00 4.01 -0.08 -3.62 117.16 115.64 2jpe n TYR 124 Ca 0.23 0.62 -0.41 0.00 -0.16 0.00 0.00 57.90 58.18 2jpe n TYR 124 Cb 0.67 -2.39 -0.09 0.00 -0.31 0.00 0.00 39.34 37.21 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 5.57 4.41 -0.32 -0.72 2.01 -1.10 0.24 115.64 125.73 2jpe s THR 125 Ca 1.11 -1.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.43 2jpe s THR 125 Cb -1.22 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 67.56 2jpe s THR 125 CO 0.63 -0.56 1.60 -0.22 -0.69 0.00 0.00 174.62 175.38 2jpe s LEU 126 N 1.46 3.66 0.00 4.42 1.98 -1.23 -3.13 118.68 125.83 2jpe s LEU 126 Ca 0.03 1.25 0.00 0.00 -2.89 0.00 0.00 54.13 52.53 2jpe s LEU 126 Cb -0.24 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.08 2jpe s LEU 126 CO 0.02 -1.45 0.00 0.54 -1.89 0.00 0.00 176.35 173.57 2jpe n ARG 127 N 8.03 1.42 -3.15 1.98 3.00 -0.87 0.55 116.66 127.61 2jpe n ARG 127 Ca 0.19 0.00 0.05 0.00 -0.01 0.00 0.00 57.85 58.08 2jpe n ARG 127 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.91 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 -0.83 0.28 -0.88 5.56 -6.30 -1.26 -4.06 118.70 111.20 2jpe s GLU 128 Ca 0.00 0.49 -0.24 0.00 -2.50 0.00 0.00 54.97 52.71 2jpe s GLU 128 Cb 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 34.13 34.19 2jpe s GLU 128 CO 0.00 -0.31 2.31 1.63 0.02 0.00 0.00 175.26 178.91 2jpe n LYS 129 N 5.46 0.00 0.00 4.30 5.02 0.47 -4.85 118.16 128.56 2jpe n LYS 129 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.24 2jpe n LYS 129 Cb 0.53 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 34.29 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 7.09 0.67 -2.41 1.97 -0.04 -1.26 -4.83 135.00 136.20 2jpe n PRO 130 Ca 0.58 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.70 2jpe n PRO 130 Cb 0.04 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.48 2jpe n PRO 130 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2jpe s GLN 131 N -0.67 3.63 0.00 0.54 2.00 -1.26 -5.15 119.66 118.75 2jpe s GLN 131 Ca 0.00 1.50 0.00 0.00 -2.00 0.00 0.00 55.36 54.86 2jpe s GLN 131 Cb 0.00 -2.09 0.00 0.00 0.80 0.00 0.00 33.01 31.72 2jpe s GLN 131 CO 0.00 -0.60 0.33 0.25 -0.50 0.00 0.00 175.29 174.77