#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jpe s ALA 2 N 0.00 -1.44 -0.16 -5.12 0.00 -1.26 -5.03 121.76 108.75 2jpe s ALA 2 Ca 0.00 -0.21 0.11 0.00 0.00 0.00 0.00 51.96 51.86 2jpe s ALA 2 Cb 0.00 0.71 0.21 0.00 0.00 0.00 0.00 23.12 24.04 2jpe s ALA 2 CO 0.00 -1.04 1.14 0.00 0.00 0.00 0.00 175.76 175.85 2jpe n ALA 3 N -0.55 2.24 -4.13 0.00 0.00 -1.26 -4.98 120.51 111.83 2jpe n ALA 3 Ca -0.05 -1.86 -0.30 0.00 0.00 0.00 0.00 53.44 51.23 2jpe n ALA 3 Cb 0.60 -0.28 -0.05 0.00 0.00 0.00 0.00 19.45 19.71 2jpe n ALA 3 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jpe n ALA 4 N -0.81 -2.08 -3.59 0.00 0.00 -1.26 -4.88 120.51 107.88 2jpe n ALA 4 Ca 0.10 -0.37 -0.40 0.00 0.00 0.00 0.00 53.44 52.78 2jpe n ALA 4 Cb 0.51 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 2jpe n ALA 4 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2jpe s VAL 5 N -4.12 4.17 0.17 0.00 1.01 -1.26 -5.01 120.40 115.37 2jpe s VAL 5 Ca 0.06 -2.28 -0.06 0.00 0.00 0.00 0.00 61.98 59.70 2jpe s VAL 5 Cb -0.03 -3.72 0.02 0.00 0.00 0.00 0.00 36.38 32.66 2jpe s VAL 5 CO 0.95 -0.84 0.34 0.59 0.00 0.00 0.00 175.10 176.14 2jpe n ASN 6 N 4.30 -0.99 -4.05 3.32 4.13 -1.26 -5.19 115.26 115.52 2jpe n ASN 6 Ca 0.01 -1.71 -0.15 0.00 1.68 0.00 0.00 54.58 54.41 2jpe n ASN 6 Cb 0.41 1.66 -0.10 0.00 -1.54 0.00 0.00 39.78 40.21 2jpe n ASN 6 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jpe s SER 7 N -1.91 0.71 0.39 6.41 0.15 -1.26 -5.17 113.70 113.02 2jpe s SER 7 Ca 0.07 -1.47 0.03 0.00 0.70 0.00 0.00 55.95 55.28 2jpe s SER 7 Cb -0.02 0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 64.66 2jpe s SER 7 CO 0.05 -0.87 0.57 -0.83 1.20 0.00 0.00 173.24 173.37 2jpe s GLY 8 N -3.24 1.55 0.00 9.45 0.00 -1.26 -5.06 107.32 108.76 2jpe s GLY 8 Ca 0.39 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.89 2jpe s GLY 8 CO 0.15 -1.09 0.00 -1.26 0.00 0.00 0.00 173.10 170.90 2jpe n SER 9 N -1.87 0.00 -3.61 1.64 2.88 -1.26 -5.07 113.62 106.33 2jpe n SER 9 Ca 0.00 0.18 -0.16 0.00 -1.33 0.00 0.00 58.87 57.56 2jpe n SER 9 Cb 0.58 -0.35 -0.07 0.00 -0.75 0.00 0.00 64.21 63.62 2jpe n SER 9 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2jpe s SER 10 N -2.74 -0.47 0.49 -3.46 1.04 -1.26 -5.14 113.70 102.16 2jpe s SER 10 Ca 0.00 0.46 0.00 0.00 0.48 0.00 0.00 55.95 56.89 2jpe s SER 10 Cb 0.00 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2jpe s SER 10 CO 0.00 -0.56 0.00 0.18 0.98 0.00 0.00 173.24 173.84 2jpe n LEU 11 N 1.02 -0.85 0.00 2.42 7.99 -1.26 -4.92 117.00 121.40 2jpe n LEU 11 Ca -0.20 1.96 0.00 0.00 -0.01 0.00 0.00 56.01 57.76 2jpe n LEU 11 Cb 0.57 -3.50 0.00 0.00 -0.11 0.00 0.00 43.42 40.38 2jpe n LEU 11 CO 0.23 -2.19 0.00 -0.81 -1.51 0.00 0.00 177.39 173.11 2jpe n PRO 12 N -4.11 0.68 -0.03 3.23 -0.04 -1.26 -5.04 135.00 128.43 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 -0.04 0.00 -0.04 0.00 0.00 33.50 34.04 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 1.09 -3.59 1.53 -0.00 -1.26 -5.08 117.00 109.69 2jpe n LEU 13 Ca 0.00 -0.01 -0.08 0.00 -0.00 0.00 0.00 56.01 55.91 2jpe n LEU 13 Cb 0.00 -0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.37 2jpe n LEU 13 CO 0.00 0.32 0.86 0.12 -0.00 0.00 0.00 177.39 178.69 2jpe s PHE 14 N -2.14 -0.28 -0.21 1.47 2.19 -1.26 -4.97 117.98 112.77 2jpe s PHE 14 Ca -0.05 0.44 0.01 0.00 0.33 0.00 0.00 56.93 57.65 2jpe s PHE 14 Cb 0.02 0.47 0.03 0.00 -1.31 0.00 0.00 43.02 42.23 2jpe s PHE 14 CO 0.22 -0.29 -0.15 0.34 1.83 0.00 0.00 175.22 177.17 2jpe s ASP 15 N -1.30 3.71 0.35 6.13 -1.08 -1.26 -5.10 116.67 118.13 2jpe s ASP 15 Ca 0.02 -0.90 -0.28 0.00 -0.52 0.00 0.00 52.55 50.87 2jpe s ASP 15 Cb -0.01 -1.53 -0.11 0.00 -1.46 0.00 0.00 42.92 39.82 2jpe s ASP 15 CO -0.02 -0.07 1.39 0.00 0.52 0.00 0.00 175.17 176.99 2jpe n PRO 17 N 0.62 0.72 0.00 0.00 -0.04 -1.26 -5.00 135.00 130.04 2jpe n PRO 17 Ca 0.01 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 2jpe n PRO 17 Cb 0.41 0.00 -0.01 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 1.21 0.52 5.66 -1.26 -4.30 114.28 115.49 2jpe n THR 18 Ca 0.00 -0.38 0.13 0.00 -3.05 0.00 0.00 64.05 60.74 2jpe n THR 18 Cb 0.00 1.10 0.27 0.00 -1.55 0.00 0.00 70.33 70.15 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 -0.38 0.00 -2.51 1.09 4.27 -1.26 -4.90 117.44 113.75 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 0.20 -0.03 -0.04 0.00 -1.36 0.00 0.00 31.31 30.07 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 -2.24 3.39 -0.07 -1.67 0.00 -1.26 0.99 121.76 120.89 2jpe s ALA 20 Ca 0.28 0.85 -0.06 0.00 0.00 0.00 0.00 51.96 53.02 2jpe s ALA 20 Cb 0.20 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 20.00 2jpe s ALA 20 CO 0.43 -0.16 0.18 0.20 0.00 0.00 0.00 175.76 176.41 2jpe s GLY 21 N -0.57 -0.13 -0.29 0.00 0.00 -0.73 -4.74 107.32 100.87 2jpe s GLY 21 Ca 0.46 0.51 -0.40 0.00 0.00 0.00 0.00 44.72 45.30 2jpe s GLY 21 CO 0.38 0.44 1.81 0.28 0.00 0.00 0.00 173.10 176.01 2jpe n LYS 22 N 2.99 1.17 -1.89 2.90 5.02 -1.26 -4.68 118.16 122.41 2jpe n LYS 22 Ca -0.13 0.42 -0.32 0.00 -2.02 0.00 0.00 58.31 56.26 2jpe n LYS 22 Cb 0.59 -2.15 0.02 0.00 -0.02 0.00 0.00 35.03 33.47 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 3.94 3.22 0.56 1.97 0.04 -1.26 -5.03 135.00 138.44 2jpe s PRO 23 Ca 1.00 1.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 2jpe s PRO 23 Cb -1.05 -2.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 2jpe s PRO 23 CO 0.64 -0.88 1.05 -1.25 0.04 0.00 0.00 177.00 176.59 2jpe s PRO 24 N -4.45 3.48 -1.20 0.56 0.04 -1.26 -4.74 135.00 127.44 2jpe s PRO 24 Ca 0.61 1.21 -0.20 0.00 0.04 0.00 0.00 61.00 62.67 2jpe s PRO 24 Cb -0.15 -2.06 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 2jpe s PRO 24 CO 0.43 -0.68 1.91 -0.35 0.04 0.00 0.00 177.00 178.36 2jpe n PRO 25 N -1.76 2.33 -0.97 0.56 -0.04 -1.26 -3.78 135.00 130.08 2jpe n PRO 25 Ca 0.09 -2.66 -0.01 0.00 -0.04 0.00 0.00 63.50 60.88 2jpe n PRO 25 Cb 0.53 -3.44 -0.00 0.00 -0.04 0.00 0.00 33.50 30.55 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 5.16 -0.28 3.33 0.55 0.00 -1.26 -5.04 105.19 107.64 2jpe n GLY 26 Ca 0.48 -0.01 -0.17 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 -0.29 2.22 -0.28 0.99 1.43 -1.25 0.14 118.68 121.64 2jpe s LEU 27 Ca 0.01 -1.21 -0.27 0.00 -1.03 0.00 0.00 54.13 51.63 2jpe s LEU 27 Cb 0.03 -0.30 0.18 0.00 0.03 0.00 0.00 46.19 46.13 2jpe s LEU 27 CO -0.01 -0.50 1.33 -1.38 0.23 0.00 0.00 176.35 176.02 2jpe s HIS 28 N -3.39 -0.13 0.74 0.29 -3.43 -1.25 -3.93 115.29 104.19 2jpe s HIS 28 Ca 0.28 0.27 -0.03 0.00 -0.80 0.00 0.00 55.06 54.78 2jpe s HIS 28 Cb 0.05 0.47 0.12 0.00 -1.43 0.00 0.00 32.58 31.80 2jpe s HIS 28 CO 0.09 -0.08 1.02 -1.17 -2.00 0.00 0.00 174.74 172.60 2jpe s LEU 29 N -0.39 2.95 0.17 5.38 2.96 0.49 -2.43 118.68 127.82 2jpe s LEU 29 Ca 0.07 -0.15 -0.24 0.00 -0.22 0.00 0.00 54.13 53.59 2jpe s LEU 29 Cb -0.03 -2.24 0.06 0.00 0.50 0.00 0.00 46.19 44.48 2jpe s LEU 29 CO -0.11 -1.89 0.74 -1.81 -1.32 0.00 0.00 176.35 171.96 2jpe s ASP 30 N -4.71 -0.38 0.04 3.68 1.11 -1.16 -1.42 116.67 113.84 2jpe s ASP 30 Ca 0.66 -0.26 0.03 0.00 0.18 0.00 0.00 52.55 53.16 2jpe s ASP 30 Cb -0.06 0.59 -0.02 0.00 1.07 0.00 0.00 42.92 44.50 2jpe s ASP 30 CO 0.45 -1.03 -0.09 -0.69 1.18 0.00 0.00 175.17 174.99 2jpe s VAL 31 N -3.64 0.68 -0.07 -1.27 1.01 0.30 -1.91 120.40 115.50 2jpe s VAL 31 Ca 0.07 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.98 2jpe s VAL 31 Cb -0.03 -0.70 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2jpe s VAL 31 CO -0.04 -0.27 0.17 -0.69 0.00 0.00 0.00 175.10 174.27 2jpe s VAL 32 N -1.19 -0.03 -1.25 2.92 1.01 -1.23 0.22 120.40 120.84 2jpe s VAL 32 Ca -0.06 0.13 0.27 0.00 0.00 0.00 0.00 61.98 62.31 2jpe s VAL 32 Cb -0.09 -0.26 0.37 0.00 0.00 0.00 0.00 36.38 36.40 2jpe s VAL 32 CO 0.01 0.05 1.89 2.29 0.00 0.00 0.00 175.10 179.34 2jpe n LYS 33 N 3.89 0.23 0.00 2.72 2.85 -0.81 0.17 118.16 127.21 2jpe n LYS 33 Ca -0.23 0.04 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2jpe n LYS 33 Cb 0.54 -1.50 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 1.10 0.24 0.37 2.58 0.00 -1.26 -4.85 105.19 103.37 2jpe n GLY 34 Ca 0.10 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.30 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 0.38 -3.74 1.61 8.00 -1.26 -5.00 116.55 116.54 2jpe n ASP 35 Ca 0.00 -2.04 -0.17 0.00 0.71 0.00 0.00 54.79 53.29 2jpe n ASP 35 Cb 0.00 -0.21 -0.17 0.00 -0.02 0.00 0.00 41.12 40.73 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 -0.44 -0.04 -0.08 -1.24 2.20 -1.26 -5.11 119.74 113.77 2jpe s LYS 36 Ca 0.05 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 2jpe s LYS 36 Cb 0.04 -0.34 -0.06 0.00 -1.51 0.00 0.00 37.83 35.96 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 1.44 4.22 0.00 5.43 1.98 -1.26 -1.92 118.68 128.57 2jpe s LEU 37 Ca -0.04 2.18 0.00 0.00 -2.89 0.00 0.00 54.13 53.38 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 -1.05 0.03 -0.38 -1.89 0.00 0.00 176.35 173.03 2jpe n ILE 38 N 5.76 0.00 -4.39 6.68 2.08 0.13 -4.94 119.36 124.69 2jpe n ILE 38 Ca 0.19 0.21 -0.20 0.00 0.56 0.00 0.00 62.75 63.51 2jpe n ILE 38 Cb 0.43 -0.59 -0.10 0.00 -0.75 0.00 0.00 39.64 38.63 2jpe n ILE 38 CO 0.00 0.00 0.00 -1.83 0.56 0.00 0.00 176.55 175.28 2jpe s GLU 39 N -0.40 1.58 0.05 0.38 -1.05 -1.24 -4.98 118.70 113.04 2jpe s GLU 39 Ca 0.00 -1.88 0.06 0.00 -0.15 0.00 0.00 54.97 53.00 2jpe s GLU 39 Cb 0.00 -0.50 -0.03 0.00 -0.44 0.00 0.00 34.13 33.16 2jpe s GLU 39 CO 0.00 -0.30 -0.17 0.21 0.95 0.00 0.00 175.26 175.95 2jpe s LYS 40 N -3.92 1.11 0.20 -4.83 2.20 -1.26 -0.54 119.74 112.70 2jpe s LYS 40 Ca 0.35 -0.90 0.00 0.00 -0.36 0.00 0.00 55.97 55.06 2jpe s LYS 40 Cb 0.07 -1.19 -0.04 0.00 -1.51 0.00 0.00 37.83 35.16 2jpe s LYS 40 CO 0.15 0.29 0.09 -0.51 -0.36 0.00 0.00 175.35 175.01 2jpe s LEU 41 N -1.33 1.54 0.08 5.43 1.43 -0.51 -4.93 118.68 120.39 2jpe s LEU 41 Ca 0.04 -1.33 0.05 0.00 -1.03 0.00 0.00 54.13 51.86 2jpe s LEU 41 Cb -0.09 0.20 -0.04 0.00 0.03 0.00 0.00 46.19 46.29 2jpe s LEU 41 CO 0.02 -0.75 -0.01 -0.63 0.23 0.00 0.00 176.35 175.21 2jpe s ILE 42 N -3.95 3.98 0.00 -0.59 1.09 -1.26 0.19 121.20 120.66 2jpe s ILE 42 Ca 0.34 -0.95 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 2jpe s ILE 42 Cb 0.07 -2.87 0.00 0.00 -1.06 0.00 0.00 42.46 38.60 2jpe s ILE 42 CO 0.10 0.16 0.76 2.30 -0.10 0.00 0.00 174.94 178.16 2jpe n ILE 43 N 0.70 0.00 -2.05 2.92 -6.64 -1.26 -4.53 119.36 108.51 2jpe n ILE 43 Ca -0.11 0.00 -0.32 0.00 -1.77 0.00 0.00 62.75 60.54 2jpe n ILE 43 Cb 0.52 0.65 0.03 0.00 -1.44 0.00 0.00 39.64 39.39 2jpe n ILE 43 CO 0.00 0.00 0.00 -0.90 -1.77 0.00 0.00 176.55 173.88 2jpe n ASP 44 N 0.00 6.15 0.00 7.28 5.75 -1.25 -4.48 116.55 129.99 2jpe n ASP 44 Ca 0.00 -3.78 0.00 0.00 -0.01 0.00 0.00 54.79 51.00 2jpe n ASP 44 Cb 0.61 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.98 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 -0.60 0.00 -2.87 0.11 -0.58 -1.26 -4.62 120.64 110.82 2jpe n GLU 45 Ca 0.48 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 57.10 2jpe n GLU 45 Cb 0.56 -0.47 -0.02 0.00 -0.57 0.00 0.00 31.44 30.94 2jpe n GLU 45 CO 0.00 0.00 0.00 0.36 -0.48 0.00 0.00 177.13 177.01 2jpe n LYS 46 N -2.27 1.42 0.00 3.49 -0.00 -1.26 -4.88 118.16 114.67 2jpe n LYS 46 Ca 0.00 -1.42 0.02 0.00 -0.00 0.00 0.00 58.31 56.91 2jpe n LYS 46 Cb 0.20 0.32 -0.00 0.00 -0.00 0.00 0.00 35.03 35.55 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 -0.64 2.66 -3.63 -1.58 0.00 -1.26 -3.99 118.16 109.73 2jpe n LYS 47 Ca -0.06 -0.39 -0.03 0.00 -0.00 0.00 0.00 58.31 57.83 2jpe n LYS 47 Cb 0.25 -0.89 -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 -0.89 -1.15 0.00 5.58 -0.85 -1.26 0.08 117.35 118.86 2jpe s TYR 48 Ca 0.04 2.12 0.00 0.00 -0.52 0.00 0.00 57.07 58.70 2jpe s TYR 48 Cb 0.04 0.69 0.00 0.00 0.38 0.00 0.00 41.96 43.06 2jpe s TYR 48 CO 0.11 -0.57 0.00 0.66 -1.52 0.00 0.00 175.55 174.24 2jpe n TYR 49 N 4.84 -0.25 -4.48 -3.49 4.01 0.30 -4.94 117.16 113.15 2jpe n TYR 49 Ca -0.16 0.00 -0.24 0.00 -0.16 0.00 0.00 57.90 57.34 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 1.99 -0.30 7.72 1.02 -1.26 -1.88 118.68 125.97 2jpe s LEU 50 Ca 0.00 -1.60 -0.06 0.00 0.02 0.00 0.00 54.13 52.49 2jpe s LEU 50 Cb 0.00 -0.13 0.19 0.00 0.02 0.00 0.00 46.19 46.27 2jpe s LEU 50 CO 0.00 -0.86 0.81 -0.36 0.02 0.00 0.00 176.35 175.95 2jpe s PHE 51 N -3.28 -1.14 0.00 0.29 0.08 0.89 -4.18 117.98 110.64 2jpe s PHE 51 Ca 0.27 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.42 2jpe s PHE 51 Cb 0.04 0.36 0.00 0.00 -0.57 0.00 0.00 43.02 42.85 2jpe s PHE 51 CO 0.15 -0.63 0.00 0.41 -0.10 0.00 0.00 175.22 175.05 2jpe n GLY 52 N 5.42 -0.17 0.34 4.36 0.00 -1.24 0.70 105.19 114.60 2jpe n GLY 52 Ca -0.02 0.50 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 -2.65 1.61 1.74 -0.95 0.12 116.66 116.54 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 -0.07 -0.02 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 -1.52 6.68 0.49 0.55 3.04 -1.22 -4.79 114.94 118.17 2jpe s ASN 54 Ca 0.00 0.55 0.28 0.00 0.04 0.00 0.00 52.86 53.73 2jpe s ASN 54 Cb 0.00 -2.53 0.86 0.00 -1.54 0.00 0.00 41.25 38.04 2jpe s ASN 54 CO 0.00 -1.13 1.80 1.55 -3.04 0.00 0.00 177.10 176.28 2jpe h PRO 55 N 8.93 0.00 0.00 0.43 0.13 -1.78 0.43 132.00 140.15 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 0.01 0.00 -0.44 -0.23 0.00 0.00 178.00 178.43 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.32 -1.94 -3.14 116.42 116.10 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2jpe h ASP 56 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 2jpe h ASP 56 CO 0.00 0.00 -0.82 0.18 -1.72 0.00 0.00 179.24 176.88 2jpe n LEU 57 N -2.35 0.90 -4.96 1.55 4.77 -1.09 -4.95 117.00 110.86 2jpe n LEU 57 Ca -0.01 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.74 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 0.09 0.27 0.00 -1.33 0.00 0.00 177.39 176.54 2jpe n ASP 59 N -2.07 0.67 -1.84 0.00 -0.08 -1.26 -4.10 116.55 107.86 2jpe n ASP 59 Ca 0.02 0.27 0.00 0.00 -1.51 0.00 0.00 54.79 53.57 2jpe n ASP 59 Cb 0.58 0.23 0.00 0.00 2.34 0.00 0.00 41.12 44.27 2jpe n ASP 59 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 2jpe n PHE 60 N -2.97 -1.77 -3.66 -0.67 3.01 -1.26 -4.97 117.46 105.17 2jpe n PHE 60 Ca -0.23 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.18 2jpe n PHE 60 Cb 1.08 0.00 -0.07 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 0.39 -0.75 0.30 4.37 -4.23 -1.26 -4.45 115.64 110.01 2jpe s THR 61 Ca 0.00 0.09 0.08 0.00 -1.18 0.00 0.00 61.69 60.68 2jpe s THR 61 Cb 0.00 -0.82 0.03 0.00 1.34 0.00 0.00 72.50 73.05 2jpe s THR 61 CO 0.00 0.04 1.70 0.40 -0.54 0.00 0.00 174.62 176.21 2jpe h ILE 62 N 6.02 1.33 -5.25 2.99 2.04 -0.64 -3.47 117.51 120.53 2jpe h ILE 62 Ca -0.18 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.03 2jpe h ILE 62 Cb 1.11 1.79 0.03 0.00 -0.74 0.00 0.00 36.82 39.01 2jpe h ILE 62 CO 0.12 0.47 -0.11 -0.67 0.00 0.00 0.00 178.15 177.96 2jpe n ASP 63 N -3.99 -7.34 -0.20 1.72 4.64 -1.25 -5.04 116.55 105.10 2jpe n ASP 63 Ca -0.02 -0.15 0.00 0.00 -1.38 0.00 0.00 54.79 53.24 2jpe n ASP 63 Cb 0.50 -5.07 0.00 0.00 -1.04 0.00 0.00 41.12 35.51 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 -1.93 -0.04 0.00 -0.67 -0.00 -1.26 -5.07 115.22 106.25 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 1.00 0.09 1.57 10.64 -1.26 -4.75 117.38 124.67 2jpe n GLN 65 Ca 0.00 0.00 -0.19 0.00 -1.83 0.00 0.00 57.00 54.98 2jpe n GLN 65 Cb 0.00 -0.95 -0.11 0.00 -0.86 0.00 0.00 30.24 28.32 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 0.71 -2.01 2.61 0.02 -1.98 -3.46 113.55 109.44 2jpe h SER 66 Ca 0.00 -0.64 -0.46 0.00 -0.84 0.00 0.00 61.79 59.84 2jpe h SER 66 Cb 0.90 -0.22 0.24 0.00 0.14 0.00 0.00 62.40 63.46 2jpe h SER 66 CO 0.00 1.46 -1.46 0.00 -1.14 0.00 0.00 176.83 175.69 2jpe s SER 68 N -1.65 2.03 0.22 0.00 0.15 -1.26 -4.98 113.70 108.20 2jpe s SER 68 Ca 0.51 -1.10 -0.07 0.00 0.70 0.00 0.00 55.95 55.99 2jpe s SER 68 Cb -0.07 -0.04 0.35 0.00 -1.71 0.00 0.00 66.02 64.56 2jpe s SER 68 CO 0.66 -0.37 1.23 0.54 1.20 0.00 0.00 173.24 176.50 2jpe n ARG 69 N -0.34 -0.08 -3.22 5.44 3.00 -1.26 -1.18 116.66 119.02 2jpe n ARG 69 Ca -0.08 1.23 -0.25 0.00 -0.01 0.00 0.00 57.85 58.74 2jpe n ARG 69 Cb 0.62 -1.84 -0.06 0.00 0.00 0.00 0.00 32.46 31.18 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 1.56 -0.27 1.55 0.31 -1.26 -2.24 118.33 112.70 2jpe n VAL 70 Ca 0.12 -4.97 0.08 0.00 -0.01 0.00 0.00 64.34 59.56 2jpe n VAL 70 Cb 0.39 -1.65 0.20 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 3.68 0.15 -1.93 3.52 2.76 0.93 -3.43 115.15 120.84 2jpe h HIS 71 Ca 0.14 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2jpe h HIS 71 Cb 0.71 0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 2jpe h HIS 71 CO 0.64 -0.19 0.02 0.00 -1.30 0.00 0.00 177.93 177.10 2jpe n ALA 72 N -2.80 -0.13 -3.40 5.26 0.00 0.22 -3.11 120.51 116.55 2jpe n ALA 72 Ca 0.16 -0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.39 2jpe n ALA 72 Cb 0.54 0.05 -0.09 0.00 0.00 0.00 0.00 19.45 19.95 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 -1.07 -1.27 0.27 0.00 0.00 -0.90 -0.08 121.76 118.71 2jpe s ALA 73 Ca 0.01 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.22 2jpe s ALA 73 Cb -0.00 -0.61 -0.05 0.00 0.00 0.00 0.00 23.12 22.45 2jpe s ALA 73 CO 0.01 -0.26 0.52 -1.17 0.00 0.00 0.00 175.76 174.85 2jpe s LEU 74 N -0.13 4.09 -0.18 0.00 0.20 -0.79 -0.76 118.68 121.11 2jpe s LEU 74 Ca -0.03 0.64 -0.06 0.00 0.69 0.00 0.00 54.13 55.37 2jpe s LEU 74 Cb -0.03 -3.45 0.09 0.00 -0.43 0.00 0.00 46.19 42.36 2jpe s LEU 74 CO 0.02 -0.16 0.36 -0.69 -0.29 0.00 0.00 176.35 175.59 2jpe s VAL 75 N -2.04 -0.56 -0.53 1.68 1.01 0.15 -0.54 120.40 119.56 2jpe s VAL 75 Ca 0.43 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 2jpe s VAL 75 Cb -0.11 -0.61 0.04 0.00 0.00 0.00 0.00 36.38 35.70 2jpe s VAL 75 CO 0.30 0.06 0.97 -0.47 0.00 0.00 0.00 175.10 175.96 2jpe s TYR 76 N 2.54 2.81 0.75 5.22 5.04 0.11 0.52 117.35 134.34 2jpe s TYR 76 Ca 0.01 0.18 -0.15 0.00 -2.44 0.00 0.00 57.07 54.66 2jpe s TYR 76 Cb -0.12 -4.10 0.02 0.00 0.35 0.00 0.00 41.96 38.11 2jpe s TYR 76 CO -0.12 -1.30 0.99 1.58 -1.34 0.00 0.00 175.55 175.36 2jpe n HIS 77 N 7.50 0.69 -0.04 4.97 -0.00 0.49 -1.77 115.22 127.06 2jpe n HIS 77 Ca 0.04 0.39 -0.07 0.00 0.46 0.00 0.00 57.72 58.54 2jpe n HIS 77 Cb 0.48 -2.07 -0.04 0.00 -0.12 0.00 0.00 29.99 28.24 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 -2.14 0.21 0.08 1.57 2.85 0.28 -2.99 118.16 118.02 2jpe n LYS 78 Ca 0.13 0.06 0.11 0.00 -1.05 0.00 0.00 58.31 57.56 2jpe n LYS 78 Cb 0.50 -1.06 0.44 0.00 -0.65 0.00 0.00 35.03 34.27 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 -2.97 0.55 -0.03 5.58 8.25 -1.26 -3.07 115.22 122.27 2jpe n HIS 79 Ca -0.16 0.20 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 2jpe n HIS 79 Cb 0.65 -0.82 -0.04 0.00 1.12 0.00 0.00 29.99 30.90 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 -1.99 0.34 -1.12 2.41 4.77 -1.26 -5.02 117.00 115.13 2jpe n LEU 80 Ca 0.04 -0.00 -0.08 0.00 -0.03 0.00 0.00 56.01 55.94 2jpe n LEU 80 Cb 0.26 0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 2jpe n LEU 80 CO 0.21 0.19 -0.02 0.29 -1.33 0.00 0.00 177.39 176.74 2jpe n LYS 81 N -2.27 -1.47 -1.69 3.23 4.76 -1.16 -5.02 118.16 114.54 2jpe n LYS 81 Ca -0.10 0.32 0.00 0.00 -2.87 0.00 0.00 58.31 55.66 2jpe n LYS 81 Cb 0.68 -4.00 0.00 0.00 -1.84 0.00 0.00 35.03 29.87 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 -1.83 1.32 -4.38 1.97 1.74 -1.20 -4.92 116.66 109.36 2jpe n ARG 82 Ca -0.05 0.00 -0.24 0.00 -0.77 0.00 0.00 57.85 56.79 2jpe n ARG 82 Cb 0.55 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.90 2jpe n ARG 82 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2jpe s VAL 83 N -1.18 2.85 0.04 1.55 1.01 -1.24 0.18 120.40 123.61 2jpe s VAL 83 Ca 0.00 -2.11 -0.07 0.00 0.00 0.00 0.00 61.98 59.80 2jpe s VAL 83 Cb 0.00 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.74 2jpe s VAL 83 CO 0.00 -0.33 0.12 -0.36 0.00 0.00 0.00 175.10 174.53 2jpe s PHE 84 N -2.45 0.16 -0.26 5.22 0.40 0.18 0.26 117.98 121.49 2jpe s PHE 84 Ca 0.32 -0.43 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 2jpe s PHE 84 Cb -0.04 -0.11 0.07 0.00 0.51 0.00 0.00 43.02 43.45 2jpe s PHE 84 CO 0.18 -0.38 -0.01 -1.17 0.70 0.00 0.00 175.22 174.54 2jpe s LEU 85 N -2.10 2.79 -0.49 -0.37 2.96 -0.66 -0.68 118.68 120.13 2jpe s LEU 85 Ca -0.05 -1.39 -0.21 0.00 -0.22 0.00 0.00 54.13 52.26 2jpe s LEU 85 Cb -0.01 -1.17 0.04 0.00 0.50 0.00 0.00 46.19 45.55 2jpe s LEU 85 CO -0.04 -0.29 0.72 -0.63 -1.32 0.00 0.00 176.35 174.79 2jpe s ILE 86 N 1.38 4.72 -1.03 6.68 1.01 0.06 -2.82 121.20 131.20 2jpe s ILE 86 Ca -0.01 -0.06 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 2jpe s ILE 86 Cb -0.19 -4.33 -0.15 0.00 0.01 0.00 0.00 42.46 37.80 2jpe s ILE 86 CO -0.10 -0.82 1.94 0.47 0.00 0.00 0.00 174.94 176.44 2jpe n ASP 87 N 6.56 2.54 -4.48 3.58 10.43 -1.25 -2.12 116.55 131.81 2jpe n ASP 87 Ca -0.02 -2.65 -0.13 0.00 2.57 0.00 0.00 54.79 54.56 2jpe n ASP 87 Cb 0.47 -1.56 -0.10 0.00 1.84 0.00 0.00 41.12 41.77 2jpe n ASP 87 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2jpe n LEU 88 N 13.96 0.63 -3.98 0.64 4.77 -1.18 -2.86 117.00 128.99 2jpe n LEU 88 Ca 0.45 -1.68 -0.26 0.00 -0.03 0.00 0.00 56.01 54.50 2jpe n LEU 88 Cb 0.45 -1.37 -0.08 0.00 -2.33 0.00 0.00 43.42 40.09 2jpe n LEU 88 CO 0.75 -2.68 -0.37 0.59 -1.33 0.00 0.00 177.39 174.35 2jpe n ASN 89 N 15.29 0.65 -4.65 -1.43 3.02 -1.23 -4.55 115.26 122.36 2jpe n ASN 89 Ca 0.42 -1.04 -0.45 0.00 -0.03 0.00 0.00 54.58 53.49 2jpe n ASN 89 Cb 0.41 -1.29 -0.02 0.00 -0.61 0.00 0.00 39.78 38.27 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2jpe n SER 90 N -2.26 2.24 -0.31 6.41 2.88 -1.18 -4.80 113.62 116.60 2jpe n SER 90 Ca -0.25 1.17 0.14 0.00 -1.33 0.00 0.00 58.87 58.60 2jpe n SER 90 Cb 0.56 -1.38 0.28 0.00 -0.75 0.00 0.00 64.21 62.91 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 1.05 -0.38 -0.03 2.46 5.66 -1.26 -3.18 114.28 118.61 2jpe n THR 91 Ca 0.10 1.96 -0.07 0.00 -3.05 0.00 0.00 64.05 62.99 2jpe n THR 91 Cb 0.32 -2.88 -0.02 0.00 -1.55 0.00 0.00 70.33 66.20 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 -5.06 115.22 112.95 2jpe n HIS 92 Ca 0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 2jpe n HIS 92 Cb 0.72 -0.23 0.00 0.00 1.12 0.00 0.00 29.99 31.59 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 2.69 0.90 3.40 -1.41 0.00 -1.19 -4.96 105.19 104.62 2jpe n GLY 93 Ca -0.13 -1.79 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 2jpe n GLY 93 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2jpe s THR 94 N -1.31 2.17 0.08 2.61 2.01 -1.26 0.14 115.64 120.08 2jpe s THR 94 Ca 0.00 -2.14 -0.00 0.00 0.31 0.00 0.00 61.69 59.86 2jpe s THR 94 Cb 0.00 -2.09 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 2jpe s THR 94 CO 0.00 -0.31 -0.02 -0.36 -0.69 0.00 0.00 174.62 173.24 2jpe s PHE 95 N -2.18 0.71 -0.56 4.92 0.40 -0.42 -0.53 117.98 120.31 2jpe s PHE 95 Ca 0.22 -1.06 0.04 0.00 -0.60 0.00 0.00 56.93 55.53 2jpe s PHE 95 Cb -0.06 -0.46 0.38 0.00 0.51 0.00 0.00 43.02 43.40 2jpe s PHE 95 CO 0.10 -0.34 1.17 -0.11 0.70 0.00 0.00 175.22 176.74 2jpe n LEU 96 N 0.02 5.03 0.00 -0.37 7.94 0.90 -0.98 117.00 129.53 2jpe n LEU 96 Ca -0.12 -5.38 0.00 0.00 -1.11 0.00 0.00 56.01 49.41 2jpe n LEU 96 Cb 0.62 -0.59 0.00 0.00 0.53 0.00 0.00 43.42 43.97 2jpe n LEU 96 CO 0.29 2.23 0.00 0.61 -1.11 0.00 0.00 177.39 179.42 2jpe n GLY 97 N -0.37 2.14 0.04 -3.96 0.00 0.36 -3.87 105.19 99.53 2jpe n GLY 97 Ca 0.38 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -4.46 1.61 1.44 -1.26 -4.91 115.22 107.64 2jpe n HIS 98 Ca 0.00 -0.12 -0.24 0.00 -2.01 0.00 0.00 57.72 55.35 2jpe n HIS 98 Cb 0.00 -0.02 -0.10 0.00 0.12 0.00 0.00 29.99 29.99 2jpe n HIS 98 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 2jpe s ILE 99 N -0.26 2.53 0.06 0.61 1.01 -1.25 -5.15 121.20 118.75 2jpe s ILE 99 Ca 0.01 -2.36 0.08 0.00 0.00 0.00 0.00 60.65 58.38 2jpe s ILE 99 Cb 0.01 -2.32 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 2jpe s ILE 99 CO 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 174.94 174.33 2jpe s ARG 100 N -3.46 1.49 0.25 2.79 1.04 -1.26 -0.07 118.95 119.74 2jpe s ARG 100 Ca 0.29 -1.07 0.09 0.00 -1.04 0.00 0.00 55.73 54.01 2jpe s ARG 100 Cb -0.05 -1.69 -0.04 0.00 -2.04 0.00 0.00 34.95 31.12 2jpe s ARG 100 CO 0.15 0.43 -0.01 -0.51 -0.04 0.00 0.00 175.30 175.32 2jpe s LEU 101 N -1.38 3.19 0.45 -1.89 1.43 0.31 -4.93 118.68 115.86 2jpe s LEU 101 Ca 0.09 -0.62 -0.09 0.00 -1.03 0.00 0.00 54.13 52.48 2jpe s LEU 101 Cb -0.09 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.34 2jpe s LEU 101 CO 0.03 0.01 0.81 -1.61 0.23 0.00 0.00 176.35 175.82 2jpe s GLU 102 N -3.56 3.70 -0.39 1.70 0.41 -1.24 -4.29 118.70 115.02 2jpe s GLU 102 Ca 0.31 0.43 -0.05 0.00 -0.41 0.00 0.00 54.97 55.25 2jpe s GLU 102 Cb -0.07 -2.34 -0.16 0.00 -1.78 0.00 0.00 34.13 29.78 2jpe s GLU 102 CO 0.19 -0.15 2.73 -0.35 -0.49 0.00 0.00 175.26 177.19 2jpe n PRO 103 N -1.75 1.91 0.00 0.39 -0.04 -1.25 -2.59 135.00 131.66 2jpe n PRO 103 Ca 0.02 -1.08 0.00 0.00 -0.04 0.00 0.00 63.50 62.41 2jpe n PRO 103 Cb 0.54 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 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 3.04 0.00 -2.94 0.54 8.25 -1.14 -3.57 115.22 119.40 2jpe n HIS 104 Ca 0.41 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.46 2jpe n HIS 104 Cb 0.52 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.59 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 4.27 0.53 -0.41 -0.14 -1.07 -4.85 119.74 118.07 2jpe s LYS 105 Ca 0.00 0.92 -0.18 0.00 -1.36 0.00 0.00 55.97 55.35 2jpe s LYS 105 Cb 0.00 -3.58 -0.06 0.00 -1.68 0.00 0.00 37.83 32.50 2jpe s LYS 105 CO 0.00 -0.33 1.04 -1.25 -0.76 0.00 0.00 175.35 174.05 2jpe s PRO 106 N 2.17 3.61 -0.18 -1.68 0.04 -1.26 -3.64 135.00 134.06 2jpe s PRO 106 Ca 0.36 1.27 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 2jpe s PRO 106 Cb -0.16 -2.07 0.06 0.00 0.04 0.00 0.00 34.50 32.36 2jpe s PRO 106 CO 0.11 -0.58 0.02 -1.14 0.04 0.00 0.00 177.00 175.45 2jpe s GLN 107 N -3.63 0.81 1.01 4.56 2.00 -1.13 -4.91 119.66 118.38 2jpe s GLN 107 Ca 0.65 -0.44 -0.21 0.00 -2.00 0.00 0.00 55.36 53.36 2jpe s GLN 107 Cb -0.16 -2.05 -0.12 0.00 0.80 0.00 0.00 33.01 31.48 2jpe s GLN 107 CO 0.27 -0.59 -0.88 0.00 -0.50 0.00 0.00 175.29 173.60 2jpe n GLN 108 N 5.01 -0.20 -3.64 1.67 10.64 -1.26 -1.66 117.38 127.95 2jpe n GLN 108 Ca -0.09 -0.05 -0.26 0.00 -1.83 0.00 0.00 57.00 54.76 2jpe n GLN 108 Cb 0.47 -1.16 -0.17 0.00 -0.86 0.00 0.00 30.24 28.52 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 0.05 0.77 -0.39 -1.09 0.72 -4.68 121.20 114.51 2jpe s ILE 109 Ca 0.42 -0.23 -0.11 0.00 -2.23 0.00 0.00 60.65 58.50 2jpe s ILE 109 Cb -0.07 -0.66 0.05 0.00 -1.58 0.00 0.00 42.46 40.20 2jpe s ILE 109 CO 0.73 -0.25 1.09 -2.16 -1.23 0.00 0.00 174.94 173.12 2jpe s PRO 110 N 2.08 2.30 0.50 2.79 0.04 -1.26 -3.65 135.00 137.79 2jpe s PRO 110 Ca 0.01 0.72 -0.21 0.00 0.04 0.00 0.00 61.00 61.56 2jpe s PRO 110 Cb -0.16 -1.94 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2jpe s PRO 110 CO -0.09 -1.49 1.17 0.42 0.04 0.00 0.00 177.00 177.05 2jpe s ILE 111 N -3.13 3.04 -1.54 0.56 -1.09 -1.26 -2.16 121.20 115.62 2jpe s ILE 111 Ca 0.60 0.72 0.00 0.00 -2.23 0.00 0.00 60.65 59.75 2jpe s ILE 111 Cb -0.14 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2jpe s ILE 111 CO 0.54 -0.07 0.00 0.47 -1.23 0.00 0.00 174.94 174.66 2jpe n ASP 112 N -0.87 -4.76 -2.40 3.58 10.43 0.42 -4.93 116.55 118.02 2jpe n ASP 112 Ca 0.09 0.36 0.00 0.00 2.57 0.00 0.00 54.79 57.81 2jpe n ASP 112 Cb 0.49 -3.99 0.00 0.00 1.84 0.00 0.00 41.12 39.46 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -1.07 0.00 0.00 177.20 175.89 2jpe n SER 113 N -0.91 -0.81 -3.67 -2.24 2.88 -0.92 -4.83 113.62 103.13 2jpe n SER 113 Ca -0.15 -0.60 -0.08 0.00 -1.33 0.00 0.00 58.87 56.72 2jpe n SER 113 Cb 0.55 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.93 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 -1.00 -0.27 0.17 2.46 2.01 -1.25 -3.64 115.64 114.13 2jpe s THR 114 Ca 0.00 0.08 0.09 0.00 0.31 0.00 0.00 61.69 62.17 2jpe s THR 114 Cb 0.00 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.70 2jpe s THR 114 CO 0.00 0.03 -0.20 0.68 -0.69 0.00 0.00 174.62 174.44 2jpe s VAL 115 N 1.90 1.99 -0.15 3.82 -7.23 0.23 0.14 120.40 121.10 2jpe s VAL 115 Ca -0.08 -1.95 -0.04 0.00 -1.81 0.00 0.00 61.98 58.10 2jpe s VAL 115 Cb -0.09 -1.93 0.07 0.00 0.56 0.00 0.00 36.38 34.99 2jpe s VAL 115 CO -0.15 -0.25 0.16 -0.94 -0.31 0.00 0.00 175.10 173.61 2jpe s SER 116 N -2.66 1.43 0.71 4.85 1.04 -0.16 -0.99 113.70 117.93 2jpe s SER 116 Ca 0.17 -0.14 -0.11 0.00 0.48 0.00 0.00 55.95 56.35 2jpe s SER 116 Cb -0.07 0.16 0.02 0.00 0.10 0.00 0.00 66.02 66.23 2jpe s SER 116 CO 0.08 -0.30 1.07 -0.36 0.98 0.00 0.00 173.24 174.70 2jpe s PHE 117 N 2.26 3.02 0.00 5.02 0.40 -1.26 -1.31 117.98 126.11 2jpe s PHE 117 Ca 0.04 1.44 0.00 0.00 -0.60 0.00 0.00 56.93 57.81 2jpe s PHE 117 Cb -0.14 -2.91 0.00 0.00 0.51 0.00 0.00 43.02 40.47 2jpe s PHE 117 CO -0.09 -1.34 0.61 0.41 0.70 0.00 0.00 175.22 175.52 2jpe n GLY 118 N -1.86 -3.01 0.00 4.36 0.00 0.38 -3.98 105.19 101.08 2jpe n GLY 118 Ca 0.08 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.98 0.00 -0.38 4.61 0.00 -1.26 -4.55 120.51 117.96 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 0.22 0.28 0.00 0.00 0.00 0.00 19.45 19.95 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 -2.92 -0.57 -0.02 0.00 0.15 -1.26 -4.89 113.70 104.20 2jpe s SER 120 Ca 0.00 1.09 0.02 0.00 0.70 0.00 0.00 55.95 57.76 2jpe s SER 120 Cb 0.00 -1.61 0.04 0.00 -1.71 0.00 0.00 66.02 62.73 2jpe s SER 120 CO 0.00 -5.09 0.82 0.35 1.20 0.00 0.00 173.24 170.52 2jpe n THR 121 N -5.48 0.37 -0.20 6.45 -2.24 -1.26 -4.31 114.28 107.61 2jpe n THR 121 Ca 0.09 -0.42 -0.15 0.00 -2.27 0.00 0.00 64.05 61.30 2jpe n THR 121 Cb 0.58 0.61 0.14 0.00 -2.10 0.00 0.00 70.33 69.56 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 -0.24 -2.59 -3.18 -0.78 5.12 -1.26 -4.84 116.66 108.88 2jpe n ARG 122 Ca 0.02 -0.72 -0.20 0.00 -1.93 0.00 0.00 57.85 55.02 2jpe n ARG 122 Cb 0.55 -1.06 -0.04 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 -4.16 2.25 -1.53 7.54 0.00 0.46 -4.31 120.51 120.76 2jpe n ALA 123 Ca -0.10 -3.48 -0.59 0.00 0.00 0.00 0.00 53.44 49.28 2jpe n ALA 123 Cb 0.29 -0.89 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 0.53 1.65 -3.52 0.00 4.01 -0.16 -3.52 117.16 116.16 2jpe n TYR 124 Ca 0.24 0.66 -0.42 0.00 -0.16 0.00 0.00 57.90 58.22 2jpe n TYR 124 Cb 0.61 -2.39 -0.09 0.00 -0.31 0.00 0.00 39.34 37.17 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 4.98 4.51 -0.45 -0.72 2.01 -0.80 -0.60 115.64 124.56 2jpe s THR 125 Ca 1.08 -1.47 -0.28 0.00 0.31 0.00 0.00 61.69 61.33 2jpe s THR 125 Cb -1.22 -3.82 0.00 0.00 0.01 0.00 0.00 72.50 67.47 2jpe s THR 125 CO 0.65 -0.64 1.51 -0.22 -0.69 0.00 0.00 174.62 175.23 2jpe s LEU 126 N 1.46 3.51 0.00 4.42 1.98 -1.24 -3.00 118.68 125.81 2jpe s LEU 126 Ca 0.04 0.75 0.02 0.00 -2.89 0.00 0.00 54.13 52.04 2jpe s LEU 126 Cb -0.25 -3.36 0.02 0.00 0.66 0.00 0.00 46.19 43.27 2jpe s LEU 126 CO 0.02 -1.61 0.18 -1.14 -1.89 0.00 0.00 176.35 171.92 2jpe n ARG 127 N 8.35 0.83 -3.15 1.98 3.00 -1.02 0.16 116.66 126.81 2jpe n ARG 127 Ca 0.17 -0.67 0.04 0.00 -0.00 0.00 0.00 57.85 57.39 2jpe n ARG 127 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 32.46 32.87 2jpe n ARG 127 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2jpe s GLU 128 N -2.65 0.56 -0.84 -0.14 2.12 -1.26 -3.95 118.70 112.54 2jpe s GLU 128 Ca 0.14 0.83 -0.22 0.00 0.36 0.00 0.00 54.97 56.07 2jpe s GLU 128 Cb -0.01 0.44 -0.20 0.00 0.26 0.00 0.00 34.13 34.61 2jpe s GLU 128 CO 0.09 -0.78 2.18 1.63 -0.54 0.00 0.00 175.26 177.84 2jpe n LYS 129 N 5.43 0.00 0.00 4.30 5.02 0.37 -4.84 118.16 128.43 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 0.52 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.35 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 6.66 0.66 -3.46 1.97 -0.04 -1.26 -4.79 135.00 134.74 2jpe n PRO 130 Ca 0.56 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.68 2jpe n PRO 130 Cb 0.04 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.45 2jpe n PRO 130 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2jpe s GLN 131 N -0.68 3.84 0.00 0.54 0.00 -1.26 -5.14 119.66 116.96 2jpe s GLN 131 Ca 0.00 0.30 0.24 0.00 -0.00 0.00 0.00 55.36 55.90 2jpe s GLN 131 Cb 0.00 -2.85 1.44 0.00 0.00 0.00 0.00 33.01 31.60 2jpe s GLN 131 CO 0.00 0.45 1.81 -2.37 0.00 0.00 0.00 175.29 175.17