#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 0.33 -0.30 3.04 0.00 -1.26 -5.11 121.76 118.47 2jpe s ALA 2 Ca 0.00 -0.08 -0.15 0.00 0.00 0.00 0.00 51.96 51.73 2jpe s ALA 2 Cb 0.00 -0.84 0.16 0.00 0.00 0.00 0.00 23.12 22.44 2jpe s ALA 2 CO 0.00 -0.86 1.01 0.00 0.00 0.00 0.00 175.76 175.92 2jpe s ALA 3 N 2.15 -2.67 -0.87 0.00 0.00 -1.26 -5.05 121.76 114.07 2jpe s ALA 3 Ca 0.03 2.06 -0.02 0.00 0.00 0.00 0.00 51.96 54.03 2jpe s ALA 3 Cb -0.14 -2.01 0.34 0.00 0.00 0.00 0.00 23.12 21.30 2jpe s ALA 3 CO -0.06 -0.84 2.02 0.00 0.00 0.00 0.00 175.76 176.88 2jpe n ALA 4 N 4.70 6.47 -1.68 0.00 0.00 -1.26 -5.00 120.51 123.73 2jpe n ALA 4 Ca -0.11 -4.16 -0.52 0.00 0.00 0.00 0.00 53.44 48.66 2jpe n ALA 4 Cb 0.54 -2.03 -0.06 0.00 0.00 0.00 0.00 19.45 17.90 2jpe n ALA 4 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2jpe n VAL 5 N -0.42 0.36 -3.64 0.00 0.24 -1.26 -4.91 118.33 108.69 2jpe n VAL 5 Ca 0.53 -0.06 -0.06 0.00 -2.04 0.00 0.00 64.34 62.71 2jpe n VAL 5 Cb 0.24 -1.50 -0.07 0.00 -1.47 0.00 0.00 33.84 31.04 2jpe n VAL 5 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2jpe s ASN 6 N 3.16 -0.29 0.09 -1.34 4.22 -1.26 -5.19 114.94 114.33 2jpe s ASN 6 Ca 0.92 0.55 -0.27 0.00 -2.14 0.00 0.00 52.86 51.93 2jpe s ASN 6 Cb -0.85 0.65 0.09 0.00 1.28 0.00 0.00 41.25 42.42 2jpe s ASN 6 CO 0.55 -0.09 1.11 -0.44 -2.04 0.00 0.00 177.10 176.18 2jpe s SER 7 N 0.32 -0.10 0.00 3.54 0.01 -1.26 -5.19 113.70 111.03 2jpe s SER 7 Ca 0.03 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 56.95 2jpe s SER 7 Cb -0.05 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.53 2jpe s SER 7 CO -0.11 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.49 2jpe n GLY 8 N -0.54 5.03 3.94 3.44 0.00 -1.26 -5.17 105.19 110.63 2jpe n GLY 8 Ca -0.06 -0.95 -0.20 0.00 0.00 0.00 0.00 46.02 44.81 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jpe s SER 9 N 1.23 5.77 0.07 1.61 1.04 -1.26 -5.11 113.70 117.04 2jpe s SER 9 Ca 0.00 -0.27 -0.17 0.00 0.48 0.00 0.00 55.95 55.99 2jpe s SER 9 Cb 0.00 -1.20 0.06 0.00 0.10 0.00 0.00 66.02 64.97 2jpe s SER 9 CO 0.00 -0.36 0.81 -1.20 0.98 0.00 0.00 173.24 173.46 2jpe n SER 10 N -1.52 -1.08 -4.65 7.02 7.64 -1.26 -5.16 113.62 114.61 2jpe n SER 10 Ca -0.02 -1.46 -0.31 0.00 1.01 0.00 0.00 58.87 58.10 2jpe n SER 10 Cb 0.58 1.73 0.18 0.00 -1.01 0.00 0.00 64.21 65.69 2jpe n SER 10 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jpe n LEU 11 N 0.00 2.83 0.00 -3.43 7.99 -1.26 -5.02 117.00 118.11 2jpe n LEU 11 Ca 0.00 0.36 0.00 0.00 -0.01 0.00 0.00 56.01 56.36 2jpe n LEU 11 Cb 0.41 -1.46 0.00 0.00 -0.11 0.00 0.00 43.42 42.27 2jpe n LEU 11 CO 0.13 -2.28 0.00 -0.81 -1.51 0.00 0.00 177.39 172.92 2jpe n PRO 12 N -4.33 0.69 -0.04 3.23 -0.04 -1.26 -5.03 135.00 128.22 2jpe n PRO 12 Ca 0.11 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2jpe n PRO 12 Cb 0.52 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 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 -5.07 117.00 108.66 2jpe n LEU 13 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 56.01 55.91 2jpe n LEU 13 Cb 0.00 0.20 -0.04 0.00 -0.00 0.00 0.00 43.42 43.58 2jpe n LEU 13 CO 0.00 0.20 0.73 0.12 -0.00 0.00 0.00 177.39 178.44 2jpe s PHE 14 N -2.21 -0.37 -0.22 1.47 2.19 -1.26 -4.98 117.98 112.60 2jpe s PHE 14 Ca -0.04 0.48 0.02 0.00 0.33 0.00 0.00 56.93 57.71 2jpe s PHE 14 Cb 0.03 0.48 0.05 0.00 -1.31 0.00 0.00 43.02 42.27 2jpe s PHE 14 CO 0.34 -0.43 -0.11 -0.51 1.83 0.00 0.00 175.22 176.34 2jpe s ASP 15 N -1.68 3.74 0.41 6.13 1.11 -1.26 -5.10 116.67 120.02 2jpe s ASP 15 Ca 0.01 -1.05 -0.26 0.00 0.18 0.00 0.00 52.55 51.42 2jpe s ASP 15 Cb -0.01 -1.36 -0.09 0.00 1.07 0.00 0.00 42.92 42.53 2jpe s ASP 15 CO -0.02 -0.15 1.39 0.00 1.18 0.00 0.00 175.17 177.57 2jpe n PRO 17 N 0.14 0.73 0.00 0.00 -0.04 -1.26 -5.00 135.00 129.57 2jpe n PRO 17 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.53 2jpe n PRO 17 Cb 0.42 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.87 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 -0.61 0.00 1.21 0.52 5.66 -1.26 -4.33 114.28 115.48 2jpe n THR 18 Ca 0.00 -0.40 0.13 0.00 -3.05 0.00 0.00 64.05 60.72 2jpe n THR 18 Cb 0.00 1.09 0.28 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 -2.48 1.09 4.27 -1.26 -4.90 117.44 113.78 2jpe n TRP 19 Ca 0.03 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.24 2jpe n TRP 19 Cb 0.17 -0.04 -0.04 0.00 -1.36 0.00 0.00 31.31 30.04 2jpe n TRP 19 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jpe s ALA 20 N -2.29 3.40 -0.05 -1.67 0.00 -1.26 0.83 121.76 120.73 2jpe s ALA 20 Ca 0.27 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 53.05 2jpe s ALA 20 Cb 0.20 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.99 2jpe s ALA 20 CO 0.45 -0.18 0.14 0.20 0.00 0.00 0.00 175.76 176.36 2jpe s GLY 21 N -0.59 -0.09 -0.26 0.00 0.00 -0.70 -4.74 107.32 100.94 2jpe s GLY 21 Ca 0.46 0.33 -0.38 0.00 0.00 0.00 0.00 44.72 45.13 2jpe s GLY 21 CO 0.39 0.27 1.86 1.17 0.00 0.00 0.00 173.10 176.79 2jpe n LYS 22 N 2.84 1.30 -2.00 2.90 3.00 -1.26 -4.67 118.16 120.28 2jpe n LYS 22 Ca -0.13 0.46 -0.32 0.00 -0.00 0.00 0.00 58.31 58.31 2jpe n LYS 22 Cb 0.59 -2.25 0.01 0.00 0.00 0.00 0.00 35.03 33.38 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 4.18 3.32 0.58 1.64 0.04 -1.26 -5.04 135.00 138.47 2jpe s PRO 23 Ca 1.00 1.13 -0.16 0.00 0.04 0.00 0.00 61.00 63.01 2jpe s PRO 23 Cb -0.98 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.49 2jpe s PRO 23 CO 0.61 -0.81 1.05 -1.25 0.04 0.00 0.00 177.00 176.64 2jpe s PRO 24 N -4.25 3.40 -1.17 0.56 0.04 -1.26 -4.73 135.00 127.58 2jpe s PRO 24 Ca 0.62 1.17 -0.19 0.00 0.04 0.00 0.00 61.00 62.64 2jpe s PRO 24 Cb -0.15 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.31 2jpe s PRO 24 CO 0.40 -0.74 1.95 -0.35 0.04 0.00 0.00 177.00 178.30 2jpe n PRO 25 N -1.97 2.27 -0.87 0.56 -0.04 -1.26 -3.75 135.00 129.94 2jpe n PRO 25 Ca 0.08 -2.54 -0.02 0.00 -0.04 0.00 0.00 63.50 60.98 2jpe n PRO 25 Cb 0.53 -3.35 -0.02 0.00 -0.04 0.00 0.00 33.50 30.63 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 4.94 -0.08 3.33 0.55 0.00 -1.26 -5.04 105.19 107.63 2jpe n GLY 26 Ca 0.49 -0.01 -0.17 0.00 0.00 0.00 0.00 46.02 46.33 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 -0.22 2.22 -0.28 0.99 1.43 -1.25 0.89 118.68 122.46 2jpe s LEU 27 Ca 0.00 -1.21 -0.26 0.00 -1.03 0.00 0.00 54.13 51.63 2jpe s LEU 27 Cb 0.02 -0.29 0.18 0.00 0.03 0.00 0.00 46.19 46.13 2jpe s LEU 27 CO -0.01 -0.50 1.35 -1.38 0.23 0.00 0.00 176.35 176.05 2jpe s HIS 28 N -3.40 -0.12 0.75 0.29 -3.43 -1.25 -3.89 115.29 104.25 2jpe s HIS 28 Ca 0.28 0.26 -0.07 0.00 -0.80 0.00 0.00 55.06 54.73 2jpe s HIS 28 Cb 0.05 0.47 0.10 0.00 -1.43 0.00 0.00 32.58 31.78 2jpe s HIS 28 CO 0.08 -0.07 1.06 -1.17 -2.00 0.00 0.00 174.74 172.64 2jpe s LEU 29 N -0.28 2.85 0.20 5.38 1.98 0.52 -2.57 118.68 126.75 2jpe s LEU 29 Ca 0.07 0.23 -0.23 0.00 -2.89 0.00 0.00 54.13 51.31 2jpe s LEU 29 Cb -0.04 -2.70 0.05 0.00 0.66 0.00 0.00 46.19 44.16 2jpe s LEU 29 CO -0.12 -1.86 0.67 -1.81 -1.89 0.00 0.00 176.35 171.35 2jpe s ASP 30 N -4.63 -0.42 0.03 3.68 1.11 -1.23 -1.39 116.67 113.82 2jpe s ASP 30 Ca 0.64 -0.26 0.02 0.00 0.18 0.00 0.00 52.55 53.12 2jpe s ASP 30 Cb -0.08 0.64 -0.02 0.00 1.07 0.00 0.00 42.92 44.53 2jpe s ASP 30 CO 0.46 -1.11 -0.06 -0.69 1.18 0.00 0.00 175.17 174.95 2jpe s VAL 31 N -3.77 0.43 -0.06 -1.27 1.01 -0.89 -2.21 120.40 113.64 2jpe s VAL 31 Ca 0.06 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.22 2jpe s VAL 31 Cb -0.03 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.92 2jpe s VAL 31 CO -0.04 -0.26 0.12 -0.69 0.00 0.00 0.00 175.10 174.23 2jpe s VAL 32 N -1.01 -0.06 -0.16 2.92 1.01 -1.25 0.02 120.40 121.87 2jpe s VAL 32 Ca -0.07 0.20 0.29 0.00 0.00 0.00 0.00 61.98 62.41 2jpe s VAL 32 Cb -0.08 -0.21 0.35 0.00 0.00 0.00 0.00 36.38 36.44 2jpe s VAL 32 CO 0.00 0.08 1.86 0.07 0.00 0.00 0.00 175.10 177.11 2jpe h LYS 33 N 7.34 0.00 0.00 2.72 5.09 -1.76 1.30 116.57 131.26 2jpe h LYS 33 Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.32 2jpe h LYS 33 Cb 1.13 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.46 2jpe h LYS 33 CO 0.42 0.00 0.00 0.41 -2.09 0.00 0.00 179.45 178.19 2jpe n GLY 34 N 0.24 -0.63 0.54 0.07 0.00 -1.26 -4.75 105.19 99.40 2jpe n GLY 34 Ca 0.02 0.36 0.02 0.00 0.00 0.00 0.00 46.02 46.42 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 0.56 -3.74 1.61 9.92 -1.26 -5.01 116.55 118.63 2jpe n ASP 35 Ca 0.00 -2.24 -0.13 0.00 -0.53 0.00 0.00 54.79 51.89 2jpe n ASP 35 Cb 0.00 -0.26 -0.14 0.00 -0.64 0.00 0.00 41.12 40.08 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2jpe s LYS 36 N -0.59 0.14 -0.11 -1.24 2.20 -1.26 -5.12 119.74 113.77 2jpe s LYS 36 Ca 0.10 0.45 -0.29 0.00 -0.36 0.00 0.00 55.97 55.86 2jpe s LYS 36 Cb 0.10 -0.15 -0.04 0.00 -1.51 0.00 0.00 37.83 36.22 2jpe s LYS 36 CO -0.02 -0.17 1.58 -1.17 -0.36 0.00 0.00 175.35 175.22 2jpe s LEU 37 N 1.22 4.21 0.00 5.43 1.98 -1.26 -2.00 118.68 128.27 2jpe s LEU 37 Ca -0.09 2.02 0.00 0.00 -2.89 0.00 0.00 54.13 53.17 2jpe s LEU 37 Cb -0.11 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.21 2jpe s LEU 37 CO -0.07 -0.96 0.10 -0.38 -1.89 0.00 0.00 176.35 173.15 2jpe n ILE 38 N 5.64 0.00 -4.23 6.68 2.08 0.10 -4.94 119.36 124.69 2jpe n ILE 38 Ca 0.17 0.36 -0.12 0.00 0.56 0.00 0.00 62.75 63.73 2jpe n ILE 38 Cb 0.44 -0.88 -0.03 0.00 -0.75 0.00 0.00 39.64 38.42 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 -1.15 0.79 -3.90 0.38 0.28 -1.24 -4.99 120.64 110.80 2jpe n GLU 39 Ca 0.00 -1.59 -0.11 0.00 -0.16 0.00 0.00 57.16 55.31 2jpe n GLU 39 Cb 0.00 0.85 -0.12 0.00 1.43 0.00 0.00 31.44 33.61 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 -2.72 0.26 0.19 3.44 2.20 -1.26 -2.09 119.74 119.76 2jpe s LYS 40 Ca 0.09 -0.26 0.00 0.00 -0.36 0.00 0.00 55.97 55.44 2jpe s LYS 40 Cb 0.00 0.10 -0.04 0.00 -1.51 0.00 0.00 37.83 36.38 2jpe s LYS 40 CO 0.07 -0.05 0.07 -0.51 -0.36 0.00 0.00 175.35 174.56 2jpe s LEU 41 N -0.82 1.70 0.08 5.43 1.43 -0.48 -4.94 118.68 121.08 2jpe s LEU 41 Ca -0.09 -1.28 0.03 0.00 -1.03 0.00 0.00 54.13 51.76 2jpe s LEU 41 Cb -0.05 0.16 -0.04 0.00 0.03 0.00 0.00 46.19 46.28 2jpe s LEU 41 CO 0.00 -0.71 0.09 -0.63 0.23 0.00 0.00 176.35 175.33 2jpe s ILE 42 N -3.90 4.58 0.00 -0.59 1.09 -1.26 0.20 121.20 121.32 2jpe s ILE 42 Ca 0.30 -0.76 0.00 0.00 -1.10 0.00 0.00 60.65 59.09 2jpe s ILE 42 Cb 0.07 -3.22 0.00 0.00 -1.06 0.00 0.00 42.46 38.25 2jpe s ILE 42 CO 0.07 0.11 0.73 2.30 -0.10 0.00 0.00 174.94 178.06 2jpe n ILE 43 N 0.39 0.00 -1.94 2.92 -5.35 -1.25 -4.47 119.36 109.66 2jpe n ILE 43 Ca -0.08 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.10 2jpe n ILE 43 Cb 0.52 0.68 0.03 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 6.01 0.00 7.28 5.75 -1.25 -4.50 116.55 129.84 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.01 2jpe n ASP 44 Cb 0.60 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.04 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 -0.68 0.00 -2.91 0.11 -0.58 -1.26 -4.62 120.64 110.70 2jpe n GLU 45 Ca 0.49 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 57.12 2jpe n GLU 45 Cb 0.70 -0.59 -0.02 0.00 -0.57 0.00 0.00 31.44 30.96 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 -2.30 1.52 0.00 3.49 -0.00 -1.26 -4.90 118.16 114.71 2jpe n LYS 46 Ca 0.00 -1.33 0.01 0.00 -0.00 0.00 0.00 58.31 56.99 2jpe n LYS 46 Cb 0.27 0.34 0.00 0.00 -0.00 0.00 0.00 35.03 35.63 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 -0.51 2.12 -3.62 -1.58 0.00 -1.26 -3.99 118.16 109.31 2jpe n LYS 47 Ca -0.07 -0.40 -0.03 0.00 -0.00 0.00 0.00 58.31 57.81 2jpe n LYS 47 Cb 0.23 -0.88 -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 -0.64 -1.10 0.00 5.58 -0.85 -1.26 0.07 117.35 119.15 2jpe s TYR 48 Ca 0.02 2.03 0.00 0.00 -0.52 0.00 0.00 57.07 58.60 2jpe s TYR 48 Cb 0.02 0.66 0.00 0.00 0.38 0.00 0.00 41.96 43.02 2jpe s TYR 48 CO 0.06 -0.54 0.00 0.66 -1.52 0.00 0.00 175.55 174.21 2jpe n TYR 49 N 4.79 -0.13 -4.58 -3.49 4.01 0.64 -4.94 117.16 113.47 2jpe n TYR 49 Ca -0.15 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.31 2jpe n TYR 49 Cb 0.54 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.49 2jpe n TYR 49 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 2jpe s LEU 50 N 0.00 2.08 -0.30 7.72 1.02 -1.26 -1.62 118.68 126.32 2jpe s LEU 50 Ca 0.00 -1.67 -0.07 0.00 0.02 0.00 0.00 54.13 52.41 2jpe s LEU 50 Cb 0.00 -0.27 0.19 0.00 0.02 0.00 0.00 46.19 46.12 2jpe s LEU 50 CO 0.00 -0.91 0.86 -0.36 0.02 0.00 0.00 176.35 175.96 2jpe s PHE 51 N -3.11 -1.01 0.00 0.29 0.08 0.11 -4.25 117.98 110.08 2jpe s PHE 51 Ca 0.19 0.88 0.00 0.00 0.12 0.00 0.00 56.93 58.12 2jpe s PHE 51 Cb 0.02 0.28 0.00 0.00 -0.57 0.00 0.00 43.02 42.76 2jpe s PHE 51 CO 0.12 -0.56 0.00 0.41 -0.10 0.00 0.00 175.22 175.08 2jpe n GLY 52 N 5.38 -0.27 0.70 4.36 0.00 -1.24 0.81 105.19 114.92 2jpe n GLY 52 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 -2.51 1.61 1.74 -0.93 0.32 116.66 116.89 2jpe n ARG 53 Ca 0.00 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.65 2jpe n ARG 53 Cb 0.00 -0.04 -0.02 0.00 -1.02 0.00 0.00 32.46 31.38 2jpe n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jpe s ASN 54 N -1.60 6.58 0.48 0.55 3.04 -1.23 -4.76 114.94 118.00 2jpe s ASN 54 Ca 0.00 0.70 0.27 0.00 0.04 0.00 0.00 52.86 53.87 2jpe s ASN 54 Cb 0.00 -2.55 0.82 0.00 -1.54 0.00 0.00 41.25 37.98 2jpe s ASN 54 CO 0.00 -1.25 1.78 1.55 -3.04 0.00 0.00 177.10 176.14 2jpe h PRO 55 N 9.55 0.00 0.00 0.43 0.13 -1.78 0.79 132.00 141.12 2jpe h PRO 55 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2jpe h PRO 55 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jpe h PRO 55 CO 1.10 0.06 0.00 -3.47 -0.23 0.00 0.00 178.00 175.45 2jpe n ASP 56 N -3.14 0.56 0.00 1.44 4.64 -1.26 -3.15 116.55 115.64 2jpe n ASP 56 Ca 0.02 0.75 0.00 0.00 -1.38 0.00 0.00 54.79 54.18 2jpe n ASP 56 Cb 0.44 -0.83 0.00 0.00 -1.04 0.00 0.00 41.12 39.69 2jpe n ASP 56 CO 0.00 0.00 0.00 0.18 -0.82 0.00 0.00 177.20 176.56 2jpe n LEU 57 N -2.24 0.83 -4.96 -2.67 4.77 -1.09 -5.07 117.00 106.57 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 0.10 0.08 0.25 0.00 -1.33 0.00 0.00 177.39 176.49 2jpe n ASP 59 N -2.02 0.86 -1.92 0.00 -0.08 -1.26 -4.09 116.55 108.04 2jpe n ASP 59 Ca 0.01 0.31 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 2jpe n ASP 59 Cb 0.58 0.04 0.00 0.00 2.34 0.00 0.00 41.12 44.08 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 -3.04 -1.81 -3.58 -0.67 3.01 -1.26 -4.97 117.46 105.14 2jpe n PHE 60 Ca -0.22 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.19 2jpe n PHE 60 Cb 1.07 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 40.47 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 0.31 -0.77 0.32 4.37 -4.23 -1.26 -4.46 115.64 109.92 2jpe s THR 61 Ca 0.00 0.08 0.19 0.00 -1.18 0.00 0.00 61.69 60.78 2jpe s THR 61 Cb 0.00 -0.80 0.16 0.00 1.34 0.00 0.00 72.50 73.20 2jpe s THR 61 CO 0.00 0.02 1.86 0.40 -0.54 0.00 0.00 174.62 176.37 2jpe h ILE 62 N 6.11 0.95 -5.05 2.99 2.04 -0.45 -3.47 117.51 120.63 2jpe h ILE 62 Ca -0.17 -1.15 -0.17 0.00 1.00 0.00 0.00 64.86 64.37 2jpe h ILE 62 Cb 1.12 1.67 0.14 0.00 -0.74 0.00 0.00 36.82 39.00 2jpe h ILE 62 CO 0.14 0.30 -0.58 -0.67 0.00 0.00 0.00 178.15 177.34 2jpe n ASP 63 N -3.80 -6.11 -3.66 1.72 -0.08 -1.24 -5.00 116.55 98.38 2jpe n ASP 63 Ca -0.01 -0.49 -0.12 0.00 -1.51 0.00 0.00 54.79 52.66 2jpe n ASP 63 Cb 0.39 -4.50 -0.08 0.00 2.34 0.00 0.00 41.12 39.27 2jpe n ASP 63 CO 0.00 0.00 0.00 -2.28 0.12 0.00 0.00 177.20 175.04 2jpe s HIS 64 N -3.26 -0.76 0.27 -0.67 2.46 -1.26 -5.03 115.29 107.03 2jpe s HIS 64 Ca 0.31 1.72 0.07 0.00 0.47 0.00 0.00 55.06 57.64 2jpe s HIS 64 Cb -0.04 0.34 0.35 0.00 -0.13 0.00 0.00 32.58 33.10 2jpe s HIS 64 CO 0.62 -0.38 1.62 -0.56 -2.47 0.00 0.00 174.74 173.58 2jpe h GLN 65 N 5.87 0.15 0.18 2.88 3.07 -1.97 -3.17 115.11 122.11 2jpe h GLN 65 Ca -0.30 -0.09 -0.01 0.00 0.09 0.00 0.00 58.65 58.34 2jpe h GLN 65 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.76 2jpe h GLN 65 CO 0.15 0.67 -0.08 0.77 0.09 0.00 0.00 178.83 180.42 2jpe h SER 66 N 0.11 -0.20 -1.53 0.06 0.02 -2.00 -3.43 113.55 106.58 2jpe h SER 66 Ca -0.00 -0.06 -0.13 0.00 -0.84 0.00 0.00 61.79 60.76 2jpe h SER 66 Cb 1.02 0.05 0.07 0.00 0.14 0.00 0.00 62.40 63.68 2jpe h SER 66 CO 0.08 -0.07 -0.06 0.00 -1.14 0.00 0.00 176.83 175.64 2jpe s SER 68 N -2.14 1.35 0.26 0.00 0.01 -1.26 -4.99 113.70 106.93 2jpe s SER 68 Ca 0.23 -1.37 -0.09 0.00 1.31 0.00 0.00 55.95 56.03 2jpe s SER 68 Cb -0.04 0.13 0.42 0.00 0.21 0.00 0.00 66.02 66.74 2jpe s SER 68 CO 0.19 -0.71 1.58 0.03 0.41 0.00 0.00 173.24 174.75 2jpe h ARG 69 N 2.36 0.00 -2.20 12.44 -0.00 -1.93 -1.94 114.38 123.12 2jpe h ARG 69 Ca -0.38 -0.00 -0.58 0.00 -0.50 0.00 0.00 59.98 58.52 2jpe h ARG 69 Cb 1.24 -0.00 -0.41 0.00 0.00 0.00 0.00 29.97 30.80 2jpe h ARG 69 CO 0.62 0.00 -0.74 0.28 0.00 0.00 0.00 179.97 180.13 2jpe n VAL 70 N -5.57 2.11 -0.30 2.04 0.31 -1.26 -2.18 118.33 113.48 2jpe n VAL 70 Ca 0.14 -5.21 0.14 0.00 -0.01 0.00 0.00 64.34 59.40 2jpe n VAL 70 Cb 0.47 -1.49 0.30 0.00 -0.91 0.00 0.00 33.84 32.21 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 3.42 0.45 -1.85 3.52 2.76 -0.02 -3.42 115.15 120.01 2jpe h HIS 71 Ca 0.14 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.37 2jpe h HIS 71 Cb 0.64 -0.06 -0.00 0.00 1.55 0.00 0.00 27.41 29.54 2jpe h HIS 71 CO 0.71 -0.17 0.05 0.00 -1.30 0.00 0.00 177.93 177.22 2jpe n ALA 72 N -2.63 -0.23 -3.41 5.26 0.00 0.24 -3.14 120.51 116.59 2jpe n ALA 72 Ca 0.22 -0.11 -0.15 0.00 0.00 0.00 0.00 53.44 53.40 2jpe n ALA 72 Cb 0.69 0.07 -0.08 0.00 0.00 0.00 0.00 19.45 20.14 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 -1.10 -1.32 0.20 0.00 0.00 -0.78 0.04 121.76 118.80 2jpe s ALA 73 Ca 0.02 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 53.15 2jpe s ALA 73 Cb -0.00 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 2jpe s ALA 73 CO 0.01 -0.29 0.41 -1.17 0.00 0.00 0.00 175.76 174.72 2jpe s LEU 74 N -0.46 4.21 -0.16 0.00 0.20 -0.64 -0.42 118.68 121.41 2jpe s LEU 74 Ca -0.06 0.50 -0.06 0.00 0.69 0.00 0.00 54.13 55.20 2jpe s LEU 74 Cb -0.03 -3.26 0.08 0.00 -0.43 0.00 0.00 46.19 42.54 2jpe s LEU 74 CO 0.04 -0.04 0.32 -0.69 -0.29 0.00 0.00 176.35 175.69 2jpe s VAL 75 N -1.85 -0.51 -0.54 1.68 1.01 0.26 -0.26 120.40 120.20 2jpe s VAL 75 Ca 0.40 0.23 -0.25 0.00 0.00 0.00 0.00 61.98 62.36 2jpe s VAL 75 Cb -0.11 -0.53 0.04 0.00 0.00 0.00 0.00 36.38 35.77 2jpe s VAL 75 CO 0.28 0.10 0.98 -0.47 0.00 0.00 0.00 175.10 175.98 2jpe s TYR 76 N 2.49 2.78 0.75 5.22 5.04 0.11 0.64 117.35 134.39 2jpe s TYR 76 Ca 0.00 0.10 -0.15 0.00 -2.44 0.00 0.00 57.07 54.58 2jpe s TYR 76 Cb -0.12 -4.13 0.03 0.00 0.35 0.00 0.00 41.96 38.09 2jpe s TYR 76 CO -0.10 -1.35 1.00 1.58 -1.34 0.00 0.00 175.55 175.34 2jpe n HIS 77 N 7.57 0.73 -0.04 4.97 -0.00 0.49 -1.72 115.22 127.22 2jpe n HIS 77 Ca 0.03 0.39 -0.07 0.00 0.46 0.00 0.00 57.72 58.53 2jpe n HIS 77 Cb 0.48 -2.08 -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 -2.20 0.20 0.08 1.57 2.85 0.24 -3.03 118.16 117.87 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 -2.95 0.55 -0.03 5.58 8.25 -1.26 -3.02 115.22 122.35 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 -0.05 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.98 0.02 -1.22 2.41 4.77 -1.26 -5.02 117.00 114.72 2jpe n LEU 80 Ca 0.04 -0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2jpe n LEU 80 Cb 0.26 0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.50 2jpe n LEU 80 CO 0.21 0.15 -0.03 0.29 -1.33 0.00 0.00 177.39 176.68 2jpe n LYS 81 N -2.22 -1.58 -1.72 3.23 4.76 -1.17 -5.02 118.16 114.45 2jpe n LYS 81 Ca -0.09 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2jpe n LYS 81 Cb 0.69 -4.14 0.00 0.00 -1.84 0.00 0.00 35.03 29.74 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 -1.96 1.26 -4.37 1.97 1.74 -1.20 -4.93 116.66 109.17 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 0.55 0.00 -0.09 0.00 -1.02 0.00 0.00 32.46 31.91 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 -1.23 2.81 0.04 1.55 1.01 -1.24 0.18 120.40 123.53 2jpe s VAL 83 Ca 0.00 -2.09 -0.06 0.00 0.00 0.00 0.00 61.98 59.83 2jpe s VAL 83 Cb 0.00 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.71 2jpe s VAL 83 CO 0.00 -0.31 0.12 -0.36 0.00 0.00 0.00 175.10 174.55 2jpe s PHE 84 N -2.46 0.16 -0.25 5.22 0.40 0.21 0.26 117.98 121.51 2jpe s PHE 84 Ca 0.32 -0.44 0.01 0.00 -0.60 0.00 0.00 56.93 56.22 2jpe s PHE 84 Cb -0.03 -0.11 0.07 0.00 0.51 0.00 0.00 43.02 43.46 2jpe s PHE 84 CO 0.18 -0.38 -0.02 -1.17 0.70 0.00 0.00 175.22 174.54 2jpe s LEU 85 N -2.09 2.66 -0.49 -0.37 2.96 -0.61 -0.57 118.68 120.17 2jpe s LEU 85 Ca -0.05 -1.31 -0.21 0.00 -0.22 0.00 0.00 54.13 52.34 2jpe s LEU 85 Cb -0.01 -1.15 0.04 0.00 0.50 0.00 0.00 46.19 45.57 2jpe s LEU 85 CO -0.04 -0.28 0.69 -0.63 -1.32 0.00 0.00 176.35 174.76 2jpe s ILE 86 N 1.40 4.77 -0.82 6.68 1.01 0.43 -2.70 121.20 131.97 2jpe s ILE 86 Ca -0.02 -0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.26 2jpe s ILE 86 Cb -0.19 -4.31 -0.17 0.00 0.01 0.00 0.00 42.46 37.81 2jpe s ILE 86 CO -0.09 -0.78 1.90 0.47 0.00 0.00 0.00 174.94 176.44 2jpe n ASP 87 N 6.42 2.47 -4.44 3.58 9.92 -1.25 -1.86 116.55 131.39 2jpe n ASP 87 Ca -0.03 -2.66 -0.14 0.00 -0.53 0.00 0.00 54.79 51.43 2jpe n ASP 87 Cb 0.47 -1.26 -0.12 0.00 -0.64 0.00 0.00 41.12 39.57 2jpe n ASP 87 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2jpe n LEU 88 N 10.30 -0.08 -4.01 0.64 4.77 -1.19 -2.51 117.00 124.92 2jpe n LEU 88 Ca 0.48 -1.34 -0.27 0.00 -0.03 0.00 0.00 56.01 54.84 2jpe n LEU 88 Cb 0.43 -1.10 -0.08 0.00 -2.33 0.00 0.00 43.42 40.34 2jpe n LEU 88 CO 0.93 -2.23 -0.35 -0.46 -1.33 0.00 0.00 177.39 173.94 2jpe n ASN 89 N 11.93 0.41 -4.61 -1.43 0.23 -1.24 -4.54 115.26 116.00 2jpe n ASN 89 Ca 0.44 -1.05 -0.47 0.00 -0.53 0.00 0.00 54.58 52.97 2jpe n ASN 89 Cb 0.35 -1.31 -0.03 0.00 -2.08 0.00 0.00 39.78 36.71 2jpe n ASN 89 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 2jpe n SER 90 N -2.26 1.87 -0.29 0.53 2.88 -1.04 -4.79 113.62 110.50 2jpe n SER 90 Ca -0.21 1.15 0.09 0.00 -1.33 0.00 0.00 58.87 58.56 2jpe n SER 90 Cb 0.54 -1.30 0.18 0.00 -0.75 0.00 0.00 64.21 62.88 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 1.48 -0.35 -0.01 2.46 5.66 -1.26 -3.45 114.28 118.81 2jpe n THR 91 Ca 0.13 1.87 -0.04 0.00 -3.05 0.00 0.00 64.05 62.95 2jpe n THR 91 Cb 0.28 -2.65 -0.01 0.00 -1.55 0.00 0.00 70.33 66.40 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 -5.28 0.00 0.00 1.09 8.25 -1.26 -5.13 115.22 112.89 2jpe n HIS 92 Ca 0.16 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.62 2jpe n HIS 92 Cb 0.52 -0.22 0.00 0.00 1.12 0.00 0.00 29.99 31.41 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 2.60 2.63 3.61 -1.41 0.00 -1.22 -4.98 105.19 106.42 2jpe n GLY 93 Ca -0.07 -1.18 -0.27 0.00 0.00 0.00 0.00 46.02 44.51 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 3.42 0.09 2.61 2.01 -1.26 0.20 115.64 120.71 2jpe s THR 94 Ca 0.00 -1.54 0.00 0.00 0.31 0.00 0.00 61.69 60.47 2jpe s THR 94 Cb 0.00 -2.70 -0.04 0.00 0.01 0.00 0.00 72.50 69.77 2jpe s THR 94 CO 0.00 -0.10 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.44 2jpe s PHE 95 N -1.69 0.76 -0.59 4.92 0.40 -0.45 -0.44 117.98 120.88 2jpe s PHE 95 Ca 0.26 -1.02 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 2jpe s PHE 95 Cb -0.09 -0.47 0.37 0.00 0.51 0.00 0.00 43.02 43.34 2jpe s PHE 95 CO 0.17 -0.29 1.22 -0.11 0.70 0.00 0.00 175.22 176.90 2jpe n LEU 96 N 0.00 5.19 0.00 -0.37 7.94 0.10 -0.84 117.00 129.02 2jpe n LEU 96 Ca -0.12 -5.37 0.00 0.00 -1.11 0.00 0.00 56.01 49.42 2jpe n LEU 96 Cb 0.61 -0.63 0.00 0.00 0.53 0.00 0.00 43.42 43.93 2jpe n LEU 96 CO 0.30 2.21 0.00 0.61 -1.11 0.00 0.00 177.39 179.40 2jpe n GLY 97 N -0.36 2.15 0.05 -3.96 0.00 0.31 -3.90 105.19 99.48 2jpe n GLY 97 Ca 0.38 -0.43 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 -4.90 115.22 107.65 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 -0.27 2.45 0.08 0.61 1.01 -1.25 -5.15 121.20 118.68 2jpe s ILE 99 Ca 0.01 -2.40 0.09 0.00 0.00 0.00 0.00 60.65 58.35 2jpe s ILE 99 Cb 0.01 -2.29 -0.03 0.00 0.01 0.00 0.00 42.46 40.16 2jpe s ILE 99 CO 0.00 -0.41 -0.24 0.00 0.00 0.00 0.00 174.94 174.29 2jpe s ARG 100 N -3.51 1.44 0.27 2.79 1.04 -1.26 0.02 118.95 119.73 2jpe s ARG 100 Ca 0.30 -1.16 0.10 0.00 -1.04 0.00 0.00 55.73 53.93 2jpe s ARG 100 Cb -0.05 -1.72 -0.04 0.00 -2.04 0.00 0.00 34.95 31.10 2jpe s ARG 100 CO 0.15 0.42 -0.02 -0.51 -0.04 0.00 0.00 175.30 175.30 2jpe s LEU 101 N -1.62 3.13 0.41 -1.89 1.43 0.41 -4.92 118.68 115.63 2jpe s LEU 101 Ca 0.10 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.40 2jpe s LEU 101 Cb -0.10 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.42 2jpe s LEU 101 CO 0.04 -0.01 0.77 -1.61 0.23 0.00 0.00 176.35 175.77 2jpe s GLU 102 N -3.66 3.77 -0.84 1.70 0.41 -1.24 -4.35 118.70 114.49 2jpe s GLU 102 Ca 0.31 0.46 -0.07 0.00 -0.41 0.00 0.00 54.97 55.27 2jpe s GLU 102 Cb -0.06 -2.38 -0.11 0.00 -1.78 0.00 0.00 34.13 29.80 2jpe s GLU 102 CO 0.19 -0.05 2.59 -0.35 -0.49 0.00 0.00 175.26 177.16 2jpe n PRO 103 N -1.36 2.38 0.00 0.39 -0.04 -1.26 -2.71 135.00 132.41 2jpe n PRO 103 Ca 0.02 -1.45 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 2jpe n PRO 103 Cb 0.54 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 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 3.52 0.00 -2.84 0.54 8.25 -1.20 -3.65 115.22 119.84 2jpe n HIS 104 Ca 0.51 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.55 2jpe n HIS 104 Cb 0.34 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.41 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 4.37 0.54 -0.41 1.02 -1.10 -4.84 119.74 119.32 2jpe s LYS 105 Ca 0.00 1.13 -0.18 0.00 0.02 0.00 0.00 55.97 56.95 2jpe s LYS 105 Cb 0.00 -3.54 -0.06 0.00 -0.52 0.00 0.00 37.83 33.71 2jpe s LYS 105 CO 0.00 -0.26 1.04 -1.25 -0.92 0.00 0.00 175.35 173.97 2jpe s PRO 106 N 1.87 3.57 -0.19 -1.68 0.04 -1.26 -3.70 135.00 133.65 2jpe s PRO 106 Ca 0.42 1.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.69 2jpe s PRO 106 Cb -0.17 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.35 2jpe s PRO 106 CO 0.16 -0.61 -0.01 -1.14 0.04 0.00 0.00 177.00 175.44 2jpe s GLN 107 N -3.73 1.08 1.00 4.56 2.00 -1.10 -4.90 119.66 118.57 2jpe s GLN 107 Ca 0.65 -0.56 -0.20 0.00 -2.00 0.00 0.00 55.36 53.25 2jpe s GLN 107 Cb -0.16 -2.15 -0.13 0.00 0.80 0.00 0.00 33.01 31.37 2jpe s GLN 107 CO 0.29 -0.57 -0.86 0.00 -0.50 0.00 0.00 175.29 173.66 2jpe n GLN 108 N 4.92 -0.14 -3.61 1.67 10.64 -1.26 -1.57 117.38 128.04 2jpe n GLN 108 Ca -0.10 -0.03 -0.26 0.00 -1.83 0.00 0.00 57.00 54.77 2jpe n GLN 108 Cb 0.47 -1.14 -0.17 0.00 -0.86 0.00 0.00 30.24 28.54 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 -2.06 -0.06 0.76 -0.39 -1.09 0.72 -4.68 121.20 114.40 2jpe s ILE 109 Ca 0.42 -0.21 -0.11 0.00 -2.23 0.00 0.00 60.65 58.51 2jpe s ILE 109 Cb -0.09 -0.61 0.04 0.00 -1.58 0.00 0.00 42.46 40.22 2jpe s ILE 109 CO 0.75 -0.30 1.08 -2.16 -1.23 0.00 0.00 174.94 173.08 2jpe s PRO 110 N 2.13 2.44 0.54 2.79 0.04 -1.26 -3.58 135.00 138.09 2jpe s PRO 110 Ca 0.02 0.77 -0.20 0.00 0.04 0.00 0.00 61.00 61.64 2jpe s PRO 110 Cb -0.16 -1.95 -0.06 0.00 0.04 0.00 0.00 34.50 32.38 2jpe s PRO 110 CO -0.11 -1.40 1.16 0.42 0.04 0.00 0.00 177.00 177.11 2jpe s ILE 111 N -3.11 3.02 -1.59 0.56 -1.09 -1.26 -2.20 121.20 115.52 2jpe s ILE 111 Ca 0.60 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.67 2jpe s ILE 111 Cb -0.14 -3.27 0.00 0.00 -1.58 0.00 0.00 42.46 37.47 2jpe s ILE 111 CO 0.55 -0.12 0.00 -0.67 -1.23 0.00 0.00 174.94 173.47 2jpe n ASP 112 N -1.26 -4.31 -2.34 3.58 2.03 0.36 -4.92 116.55 109.69 2jpe n ASP 112 Ca 0.12 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.80 2jpe n ASP 112 Cb 0.50 -3.81 0.00 0.00 -0.72 0.00 0.00 41.12 37.09 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2jpe n SER 113 N -0.79 -0.58 -3.66 1.67 2.88 -0.94 -4.85 113.62 107.34 2jpe n SER 113 Ca -0.15 -0.67 -0.07 0.00 -1.33 0.00 0.00 58.87 56.64 2jpe n SER 113 Cb 0.52 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.90 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 -0.96 -0.36 0.17 2.46 2.01 -1.25 -3.65 115.64 114.06 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 -0.78 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 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 2.04 1.94 -0.15 3.82 -7.23 0.10 0.11 120.40 121.04 2jpe s VAL 115 Ca -0.07 -1.91 -0.04 0.00 -1.81 0.00 0.00 61.98 58.15 2jpe s VAL 115 Cb -0.09 -1.88 0.06 0.00 0.56 0.00 0.00 36.38 35.03 2jpe s VAL 115 CO -0.16 -0.24 0.12 -0.94 -0.31 0.00 0.00 175.10 173.58 2jpe s SER 116 N -2.58 1.79 0.92 4.85 1.04 -0.02 -0.92 113.70 118.78 2jpe s SER 116 Ca 0.16 -0.33 -0.12 0.00 0.48 0.00 0.00 55.95 56.14 2jpe s SER 116 Cb -0.07 -0.03 0.14 0.00 0.10 0.00 0.00 66.02 66.16 2jpe s SER 116 CO 0.07 -0.32 1.09 -0.36 0.98 0.00 0.00 173.24 174.70 2jpe s PHE 117 N 2.20 2.28 0.00 5.02 0.40 -1.07 -1.34 117.98 125.47 2jpe s PHE 117 Ca 0.04 1.19 0.00 0.00 -0.60 0.00 0.00 56.93 57.55 2jpe s PHE 117 Cb -0.15 -3.19 0.00 0.00 0.51 0.00 0.00 43.02 40.19 2jpe s PHE 117 CO -0.08 -2.49 0.57 0.41 0.70 0.00 0.00 175.22 174.32 2jpe n GLY 118 N -1.16 -3.32 0.00 4.36 0.00 0.54 -3.88 105.19 101.73 2jpe n GLY 118 Ca 0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.78 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 -1.40 -0.11 -1.19 4.61 0.00 -1.26 -4.69 120.51 116.47 2jpe n ALA 119 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 2jpe n ALA 119 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 2jpe n ALA 119 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jpe n SER 120 N -1.92 -0.18 0.00 0.00 2.88 -1.25 -4.64 113.62 108.50 2jpe n SER 120 Ca 0.00 -0.03 0.07 0.00 -1.33 0.00 0.00 58.87 57.59 2jpe n SER 120 Cb 0.00 -0.64 0.38 0.00 -0.75 0.00 0.00 64.21 63.20 2jpe n SER 120 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2jpe n THR 121 N 5.49 0.59 -0.84 2.46 -2.24 -1.26 -2.61 114.28 115.87 2jpe n THR 121 Ca 0.53 0.15 -0.34 0.00 -2.27 0.00 0.00 64.05 62.11 2jpe n THR 121 Cb 0.05 -0.90 0.09 0.00 -2.10 0.00 0.00 70.33 67.47 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 -1.30 -0.76 -3.08 -0.78 5.12 -1.26 -4.86 116.66 109.74 2jpe n ARG 122 Ca 0.07 -0.22 -0.22 0.00 -1.93 0.00 0.00 57.85 55.55 2jpe n ARG 122 Cb 0.12 -1.30 -0.03 0.00 -1.16 0.00 0.00 32.46 30.09 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 -3.92 3.21 -1.16 7.54 0.00 0.45 -4.25 120.51 122.38 2jpe n ALA 123 Ca -0.01 -3.99 -0.54 0.00 0.00 0.00 0.00 53.44 48.91 2jpe n ALA 123 Cb 0.67 -0.84 -0.10 0.00 0.00 0.00 0.00 19.45 19.18 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 0.04 1.09 -3.43 0.00 4.01 -0.10 -3.84 117.16 114.93 2jpe n TYR 124 Ca 0.28 0.72 -0.44 0.00 -0.16 0.00 0.00 57.90 58.30 2jpe n TYR 124 Cb 0.54 -2.02 -0.05 0.00 -0.31 0.00 0.00 39.34 37.50 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 4.96 4.94 -0.31 -0.72 2.01 -0.94 -0.72 115.64 124.86 2jpe s THR 125 Ca 1.04 -2.19 -0.28 0.00 0.31 0.00 0.00 61.69 60.57 2jpe s THR 125 Cb -1.33 -4.14 -0.02 0.00 0.01 0.00 0.00 72.50 67.03 2jpe s THR 125 CO 0.60 -0.92 1.86 -0.22 -0.69 0.00 0.00 174.62 175.25 2jpe s LEU 126 N 0.70 3.50 0.00 4.42 1.98 -1.24 -3.51 118.68 124.53 2jpe s LEU 126 Ca 0.12 1.38 0.04 0.00 -2.89 0.00 0.00 54.13 52.78 2jpe s LEU 126 Cb -0.20 -3.51 0.04 0.00 0.66 0.00 0.00 46.19 43.19 2jpe s LEU 126 CO -0.04 -1.75 0.36 -1.14 -1.89 0.00 0.00 176.35 171.89 2jpe n ARG 127 N 8.47 0.80 -3.22 1.98 3.00 -1.06 0.13 116.66 126.77 2jpe n ARG 127 Ca 0.24 -1.36 -0.01 0.00 -0.00 0.00 0.00 57.85 56.72 2jpe n ARG 127 Cb 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 32.46 32.78 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 -3.17 0.49 -0.85 -0.14 2.12 -1.26 -3.88 118.70 112.01 2jpe s GLU 128 Ca 0.27 0.60 -0.23 0.00 0.36 0.00 0.00 54.97 55.97 2jpe s GLU 128 Cb -0.02 0.10 -0.21 0.00 0.26 0.00 0.00 34.13 34.26 2jpe s GLU 128 CO 0.17 -0.84 2.22 1.63 -0.54 0.00 0.00 175.26 177.89 2jpe n LYS 129 N 5.40 0.00 0.00 4.30 5.02 0.26 -4.84 118.16 128.29 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 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 2jpe n LYS 129 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2jpe n PRO 130 N 6.77 0.66 -3.20 1.97 -0.04 -1.26 -4.78 135.00 135.13 2jpe n PRO 130 Ca 0.57 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.70 2jpe n PRO 130 Cb 0.04 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.44 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 3.98 0.00 0.54 0.00 -1.26 -5.13 119.66 117.10 2jpe s GLN 131 Ca 0.00 0.60 0.01 0.00 -0.00 0.00 0.00 55.36 55.97 2jpe s GLN 131 Cb 0.00 -2.51 0.05 0.00 0.00 0.00 0.00 33.01 30.55 2jpe s GLN 131 CO 0.00 0.21 0.54 -2.37 0.00 0.00 0.00 175.29 173.67