#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 4.26 -0.48 3.04 0.00 -1.26 -5.05 121.76 122.27 2jpe s ALA 2 Ca 0.00 -1.51 0.08 0.00 0.00 0.00 0.00 51.96 50.53 2jpe s ALA 2 Cb 0.00 -1.81 0.36 0.00 0.00 0.00 0.00 23.12 21.67 2jpe s ALA 2 CO 0.00 -0.43 0.90 0.00 0.00 0.00 0.00 175.76 176.23 2jpe n ALA 3 N -2.02 3.78 -3.68 0.00 0.00 -1.26 -4.97 120.51 112.37 2jpe n ALA 3 Ca 0.07 -4.14 -0.30 0.00 0.00 0.00 0.00 53.44 49.07 2jpe n ALA 3 Cb 0.59 -0.79 -0.13 0.00 0.00 0.00 0.00 19.45 19.12 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 -3.13 1.78 0.00 0.00 0.00 -1.26 -4.98 121.76 114.18 2jpe s ALA 4 Ca 0.45 -2.22 0.00 0.00 0.00 0.00 0.00 51.96 50.19 2jpe s ALA 4 Cb 0.33 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.68 2jpe s ALA 4 CO -0.11 -1.96 0.00 0.28 0.00 0.00 0.00 175.76 173.97 2jpe n VAL 5 N 4.00 0.00 -3.60 0.00 0.31 -1.26 -4.88 118.33 112.90 2jpe n VAL 5 Ca 0.06 0.34 -0.21 0.00 -0.01 0.00 0.00 64.34 64.53 2jpe n VAL 5 Cb 0.37 -1.34 0.06 0.00 -0.91 0.00 0.00 33.84 32.02 2jpe n VAL 5 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2jpe n ASN 6 N -2.19 -2.27 -4.76 4.52 5.15 -1.26 -4.87 115.26 109.58 2jpe n ASN 6 Ca 0.00 -0.71 -0.29 0.00 -0.60 0.00 0.00 54.58 52.98 2jpe n ASN 6 Cb 0.00 -4.55 0.14 0.00 -0.53 0.00 0.00 39.78 34.84 2jpe n ASN 6 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2jpe s SER 7 N -4.18 3.35 0.00 1.20 1.04 -1.26 -5.03 113.70 108.81 2jpe s SER 7 Ca 0.11 1.04 0.00 0.00 0.48 0.00 0.00 55.95 57.58 2jpe s SER 7 Cb -0.05 -1.65 0.00 0.00 0.10 0.00 0.00 66.02 64.42 2jpe s SER 7 CO 0.77 -2.66 0.00 0.61 0.98 0.00 0.00 173.24 172.94 2jpe n GLY 8 N -1.91 -0.70 3.51 7.32 0.00 -1.26 -5.19 105.19 106.95 2jpe n GLY 8 Ca 0.06 0.54 -0.15 0.00 0.00 0.00 0.00 46.02 46.47 2jpe n GLY 8 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jpe s SER 9 N 0.00 0.96 0.04 1.61 1.04 -1.26 -5.12 113.70 110.98 2jpe s SER 9 Ca 0.00 -1.51 -0.30 0.00 0.48 0.00 0.00 55.95 54.62 2jpe s SER 9 Cb 0.00 0.69 -0.08 0.00 0.10 0.00 0.00 66.02 66.73 2jpe s SER 9 CO 0.00 -1.34 1.75 -0.44 0.98 0.00 0.00 173.24 174.19 2jpe s SER 10 N -3.25 6.56 0.52 7.02 0.01 -1.26 -4.68 113.70 118.62 2jpe s SER 10 Ca 0.30 2.51 0.00 0.00 1.31 0.00 0.00 55.95 60.07 2jpe s SER 10 Cb -0.01 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2jpe s SER 10 CO 0.21 -0.95 0.00 0.18 0.41 0.00 0.00 173.24 173.09 2jpe n LEU 11 N 6.39 -0.88 0.00 2.44 7.99 -1.26 -4.93 117.00 126.76 2jpe n LEU 11 Ca 0.17 2.04 0.00 0.00 -0.01 0.00 0.00 56.01 58.21 2jpe n LEU 11 Cb 0.41 -3.38 0.00 0.00 -0.11 0.00 0.00 43.42 40.34 2jpe n LEU 11 CO 0.64 -2.15 0.00 -0.81 -1.51 0.00 0.00 177.39 173.56 2jpe n PRO 12 N -4.16 0.70 -0.04 3.23 -0.04 -1.26 -5.02 135.00 128.41 2jpe n PRO 12 Ca -0.07 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.37 2jpe n PRO 12 Cb 0.63 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.01 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 -3.45 1.53 -0.00 -1.26 -5.06 117.00 108.75 2jpe n LEU 13 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 2jpe n LEU 13 Cb 0.00 0.18 -0.02 0.00 -0.00 0.00 0.00 43.42 43.58 2jpe n LEU 13 CO 0.00 0.18 0.50 0.12 -0.00 0.00 0.00 177.39 178.18 2jpe s PHE 14 N -2.33 -0.47 -0.19 1.47 5.36 -1.26 -4.90 117.98 115.66 2jpe s PHE 14 Ca -0.04 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.21 2jpe s PHE 14 Cb 0.04 0.55 0.04 0.00 -0.34 0.00 0.00 43.02 43.31 2jpe s PHE 14 CO 0.39 -0.75 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.80 2jpe s ASP 15 N -2.66 3.24 0.25 6.13 1.11 -1.26 -5.11 116.67 118.37 2jpe s ASP 15 Ca 0.02 -0.83 -0.30 0.00 0.18 0.00 0.00 52.55 51.63 2jpe s ASP 15 Cb -0.01 -1.14 -0.09 0.00 1.07 0.00 0.00 42.92 42.75 2jpe s ASP 15 CO -0.11 -0.16 1.29 0.00 1.18 0.00 0.00 175.17 177.37 2jpe n PRO 17 N 1.93 0.80 0.00 0.00 -0.04 -1.26 -5.01 135.00 131.42 2jpe n PRO 17 Ca 0.04 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.51 2jpe n PRO 17 Cb 0.43 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.90 2jpe n PRO 17 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 2jpe n THR 18 N -0.52 0.00 1.08 0.52 5.66 -1.26 -4.43 114.28 115.33 2jpe n THR 18 Ca 0.00 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.62 2jpe n THR 18 Cb 0.00 1.06 0.12 0.00 -1.55 0.00 0.00 70.33 69.96 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 0.14 0.00 -2.54 1.09 4.27 -1.26 -4.92 117.44 114.23 2jpe n TRP 19 Ca 0.02 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.22 2jpe n TRP 19 Cb 0.07 -0.02 -0.05 0.00 -1.36 0.00 0.00 31.31 29.96 2jpe n TRP 19 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2jpe s ALA 20 N -2.33 3.39 0.00 -1.67 0.00 -1.26 -0.73 121.76 119.16 2jpe s ALA 20 Ca 0.23 0.82 0.00 0.00 0.00 0.00 0.00 51.96 53.02 2jpe s ALA 20 Cb 0.19 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 20.00 2jpe s ALA 20 CO 0.48 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.56 2jpe n GLY 21 N 1.43 2.45 3.06 0.00 0.00 -1.18 -4.82 105.19 106.12 2jpe n GLY 21 Ca -0.01 -0.20 -0.11 0.00 0.00 0.00 0.00 46.02 45.71 2jpe n GLY 21 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jpe s LYS 22 N 2.50 0.27 0.36 1.61 2.36 -1.26 -4.48 119.74 121.10 2jpe s LYS 22 Ca 0.00 0.76 -0.26 0.00 -2.55 0.00 0.00 55.97 53.92 2jpe s LYS 22 Cb 0.00 -0.10 -0.09 0.00 -1.05 0.00 0.00 37.83 36.59 2jpe s LYS 22 CO 0.00 -0.39 1.06 -1.25 1.55 0.00 0.00 175.35 176.32 2jpe s PRO 23 N 2.52 4.31 0.69 4.03 0.04 -1.26 -5.04 135.00 140.29 2jpe s PRO 23 Ca 0.03 1.60 -0.11 0.00 0.04 0.00 0.00 61.00 62.56 2jpe s PRO 23 Cb -0.13 -2.74 0.01 0.00 0.04 0.00 0.00 34.50 31.68 2jpe s PRO 23 CO -0.12 -0.03 1.06 -1.25 0.04 0.00 0.00 177.00 176.69 2jpe s PRO 24 N -2.17 2.95 -1.12 0.56 0.04 -1.26 -4.61 135.00 129.39 2jpe s PRO 24 Ca 0.54 0.96 -0.19 0.00 0.04 0.00 0.00 61.00 62.35 2jpe s PRO 24 Cb -0.25 -1.99 -0.06 0.00 0.04 0.00 0.00 34.50 32.24 2jpe s PRO 24 CO 0.32 -1.09 2.02 -0.35 0.04 0.00 0.00 177.00 177.94 2jpe n PRO 25 N -3.10 2.18 -0.72 0.56 -0.04 -1.26 -3.65 135.00 128.96 2jpe n PRO 25 Ca 0.08 -2.32 -0.03 0.00 -0.04 0.00 0.00 63.50 61.18 2jpe n PRO 25 Cb 0.53 -3.19 -0.03 0.00 -0.04 0.00 0.00 33.50 30.77 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 4.57 0.05 3.34 0.55 0.00 -1.26 -5.04 105.19 107.40 2jpe n GLY 26 Ca 0.50 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.34 2jpe n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jpe s LEU 27 N 0.00 2.36 -0.28 0.99 1.43 -1.24 0.49 118.68 122.43 2jpe s LEU 27 Ca 0.00 -1.15 -0.27 0.00 -1.03 0.00 0.00 54.13 51.68 2jpe s LEU 27 Cb 0.00 -0.41 0.18 0.00 0.03 0.00 0.00 46.19 45.99 2jpe s LEU 27 CO 0.00 -0.41 1.35 -1.38 0.23 0.00 0.00 176.35 176.14 2jpe s HIS 28 N -3.26 -0.10 0.68 0.29 -3.43 -1.25 -3.97 115.29 104.24 2jpe s HIS 28 Ca 0.26 0.22 -0.04 0.00 -0.80 0.00 0.00 55.06 54.70 2jpe s HIS 28 Cb 0.04 0.48 0.08 0.00 -1.43 0.00 0.00 32.58 31.74 2jpe s HIS 28 CO 0.08 -0.07 0.96 -1.17 -2.00 0.00 0.00 174.74 172.54 2jpe s LEU 29 N -0.44 2.98 0.26 5.38 1.98 0.56 -2.61 118.68 126.78 2jpe s LEU 29 Ca 0.07 0.13 -0.17 0.00 -2.89 0.00 0.00 54.13 51.26 2jpe s LEU 29 Cb -0.03 -2.74 0.01 0.00 0.66 0.00 0.00 46.19 44.09 2jpe s LEU 29 CO -0.11 -1.60 0.60 -1.81 -1.89 0.00 0.00 176.35 171.55 2jpe s ASP 30 N -4.56 -0.19 -0.03 3.68 1.01 -1.24 -1.08 116.67 114.26 2jpe s ASP 30 Ca 0.62 -0.74 -0.04 0.00 0.71 0.00 0.00 52.55 53.10 2jpe s ASP 30 Cb -0.09 0.66 0.01 0.00 1.01 0.00 0.00 42.92 44.50 2jpe s ASP 30 CO 0.43 -1.24 0.09 -0.69 0.21 0.00 0.00 175.17 173.98 2jpe s VAL 31 N -3.96 0.02 -0.02 -1.27 1.01 -0.94 -2.91 120.40 112.34 2jpe s VAL 31 Ca 0.16 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2jpe s VAL 31 Cb -0.03 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.18 2jpe s VAL 31 CO 0.07 -0.09 0.01 -0.69 0.00 0.00 0.00 175.10 174.40 2jpe s VAL 32 N -0.26 0.05 -1.16 2.92 1.01 -1.25 0.14 120.40 121.85 2jpe s VAL 32 Ca -0.03 0.13 0.25 0.00 0.00 0.00 0.00 61.98 62.33 2jpe s VAL 32 Cb -0.02 -0.15 0.29 0.00 0.00 0.00 0.00 36.38 36.50 2jpe s VAL 32 CO 0.00 0.10 1.82 2.29 0.00 0.00 0.00 175.10 179.31 2jpe n LYS 33 N 4.00 0.13 0.00 2.72 2.85 -0.97 0.19 118.16 127.08 2jpe n LYS 33 Ca -0.25 0.06 0.00 0.00 -1.05 0.00 0.00 58.31 57.07 2jpe n LYS 33 Cb 0.52 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 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 1.00 -0.49 0.46 2.58 0.00 -1.26 -4.78 105.19 102.69 2jpe n GLY 34 Ca 0.08 0.32 0.02 0.00 0.00 0.00 0.00 46.02 46.44 2jpe n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2jpe n ASP 35 N 0.00 0.45 -3.70 1.61 5.68 -1.26 -4.98 116.55 114.34 2jpe n ASP 35 Ca 0.00 -2.20 -0.17 0.00 -0.50 0.00 0.00 54.79 51.92 2jpe n ASP 35 Cb 0.00 -0.24 -0.17 0.00 -1.14 0.00 0.00 41.12 39.57 2jpe n ASP 35 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2jpe s LYS 36 N -0.51 -0.03 -0.05 0.11 2.20 -1.26 -5.11 119.74 115.09 2jpe s LYS 36 Ca 0.07 0.37 -0.30 0.00 -0.36 0.00 0.00 55.97 55.76 2jpe s LYS 36 Cb 0.06 -0.36 -0.06 0.00 -1.51 0.00 0.00 37.83 35.96 2jpe s LYS 36 CO -0.00 -0.27 1.77 -1.17 -0.36 0.00 0.00 175.35 175.32 2jpe s LEU 37 N 1.82 4.28 0.00 5.43 1.98 -1.26 -2.29 118.68 128.64 2jpe s LEU 37 Ca -0.00 2.30 0.00 0.00 -2.89 0.00 0.00 54.13 53.54 2jpe s LEU 37 Cb -0.12 -3.53 0.00 0.00 0.66 0.00 0.00 46.19 43.20 2jpe s LEU 37 CO -0.04 -1.04 0.08 -0.38 -1.89 0.00 0.00 176.35 173.09 2jpe n ILE 38 N 5.68 0.00 -4.18 6.68 2.08 0.12 -4.95 119.36 124.80 2jpe n ILE 38 Ca 0.19 0.49 -0.10 0.00 0.56 0.00 0.00 62.75 63.88 2jpe n ILE 38 Cb 0.43 -1.29 -0.03 0.00 -0.75 0.00 0.00 39.64 38.00 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 -1.67 0.54 -4.02 0.38 0.28 -1.24 -5.01 120.64 109.90 2jpe n GLU 39 Ca 0.00 -1.44 -0.08 0.00 -0.16 0.00 0.00 57.16 55.47 2jpe n GLU 39 Cb 0.00 0.94 -0.11 0.00 1.43 0.00 0.00 31.44 33.71 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 -2.63 0.42 0.15 3.44 2.20 -1.26 -2.21 119.74 119.85 2jpe s LYS 40 Ca 0.12 -0.82 -0.05 0.00 -0.36 0.00 0.00 55.97 54.86 2jpe s LYS 40 Cb 0.01 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.43 2jpe s LYS 40 CO 0.09 -0.07 0.17 -0.51 -0.36 0.00 0.00 175.35 174.67 2jpe s LEU 41 N -1.96 1.38 0.08 5.43 1.43 -0.24 -4.93 118.68 119.87 2jpe s LEU 41 Ca -0.08 -1.04 0.03 0.00 -1.03 0.00 0.00 54.13 52.02 2jpe s LEU 41 Cb -0.04 0.74 -0.04 0.00 0.03 0.00 0.00 46.19 46.88 2jpe s LEU 41 CO -0.04 -0.81 0.06 -0.63 0.23 0.00 0.00 176.35 175.16 2jpe s ILE 42 N -4.01 4.42 0.00 -0.59 1.09 -1.26 0.21 121.20 121.06 2jpe s ILE 42 Ca 0.21 -0.83 0.00 0.00 -1.10 0.00 0.00 60.65 58.93 2jpe s ILE 42 Cb 0.05 -3.13 0.00 0.00 -1.06 0.00 0.00 42.46 38.33 2jpe s ILE 42 CO 0.01 0.12 0.69 2.30 -0.10 0.00 0.00 174.94 177.95 2jpe n ILE 43 N 0.45 0.00 -2.25 2.92 -6.64 -1.26 -4.52 119.36 108.06 2jpe n ILE 43 Ca -0.09 0.00 -0.35 0.00 -1.77 0.00 0.00 62.75 60.54 2jpe n ILE 43 Cb 0.52 0.65 0.02 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 6.39 0.00 7.28 5.68 -1.25 -4.45 116.55 130.20 2jpe n ASP 44 Ca 0.00 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.52 2jpe n ASP 44 Cb 0.59 -0.85 0.00 0.00 -1.14 0.00 0.00 41.12 39.72 2jpe n ASP 44 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2jpe n GLU 45 N -0.45 0.00 -2.82 0.11 1.02 -1.26 -4.64 120.64 112.60 2jpe n GLU 45 Ca 0.47 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.48 2jpe n GLU 45 Cb 0.38 -0.19 -0.01 0.00 -0.02 0.00 0.00 31.44 31.60 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 -2.28 1.28 0.00 3.49 -0.00 -1.26 -4.88 118.16 114.51 2jpe n LYS 46 Ca 0.00 -1.56 0.01 0.00 -0.00 0.00 0.00 58.31 56.76 2jpe n LYS 46 Cb 0.05 0.29 0.01 0.00 -0.00 0.00 0.00 35.03 35.37 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 -0.84 0.54 -3.61 -1.58 -0.00 -1.26 -4.17 118.16 107.24 2jpe n LYS 47 Ca -0.05 -0.54 -0.03 0.00 -0.00 0.00 0.00 58.31 57.70 2jpe n LYS 47 Cb 0.28 -0.97 -0.05 0.00 -0.00 0.00 0.00 35.03 34.28 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 -0.38 -1.07 0.00 5.58 -0.85 -1.26 0.34 117.35 119.71 2jpe s TYR 48 Ca 0.03 1.98 0.00 0.00 -0.52 0.00 0.00 57.07 58.56 2jpe s TYR 48 Cb 0.02 0.64 0.00 0.00 0.38 0.00 0.00 41.96 43.00 2jpe s TYR 48 CO 0.04 -0.53 0.00 0.66 -1.52 0.00 0.00 175.55 174.20 2jpe n TYR 49 N 4.78 -0.07 -4.45 -3.49 4.01 0.73 -4.93 117.16 113.73 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 1.94 -0.30 7.72 1.02 -1.26 -1.94 118.68 125.86 2jpe s LEU 50 Ca 0.00 -1.58 -0.05 0.00 0.02 0.00 0.00 54.13 52.53 2jpe s LEU 50 Cb 0.00 -0.08 0.19 0.00 0.02 0.00 0.00 46.19 46.31 2jpe s LEU 50 CO 0.00 -0.85 0.79 -0.36 0.02 0.00 0.00 176.35 175.95 2jpe s PHE 51 N -3.34 -1.19 0.00 0.29 0.08 0.11 -4.18 117.98 109.75 2jpe s PHE 51 Ca 0.30 1.08 0.00 0.00 0.12 0.00 0.00 56.93 58.43 2jpe s PHE 51 Cb 0.05 0.35 0.00 0.00 -0.57 0.00 0.00 43.02 42.84 2jpe s PHE 51 CO 0.15 -0.67 0.00 0.41 -0.10 0.00 0.00 175.22 175.02 2jpe n GLY 52 N 5.40 -0.28 0.48 4.36 0.00 -1.24 0.53 105.19 114.44 2jpe n GLY 52 Ca -0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2jpe n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jpe n ARG 53 N 0.00 0.00 -2.62 1.61 1.74 -0.96 0.48 116.66 116.91 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 -0.03 -0.02 0.00 -1.02 0.00 0.00 32.46 31.39 2jpe n ARG 53 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jpe s ASN 54 N -1.42 6.69 0.50 0.55 3.04 -1.23 -4.76 114.94 118.31 2jpe s ASN 54 Ca 0.00 0.58 0.28 0.00 0.04 0.00 0.00 52.86 53.76 2jpe s ASN 54 Cb 0.00 -2.54 0.87 0.00 -1.54 0.00 0.00 41.25 38.03 2jpe s ASN 54 CO 0.00 -1.16 1.80 1.55 -3.04 0.00 0.00 177.10 176.25 2jpe h PRO 55 N 8.97 0.00 0.00 0.43 0.13 -1.78 0.45 132.00 140.21 2jpe h PRO 55 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2jpe h PRO 55 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2jpe h PRO 55 CO 1.10 0.00 0.00 0.22 -0.23 0.00 0.00 178.00 179.09 2jpe h ASP 56 N 0.00 0.00 0.00 1.44 3.58 -1.89 -3.13 116.42 116.41 2jpe h ASP 56 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2jpe h ASP 56 Cb 0.75 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2jpe h ASP 56 CO 0.00 0.00 -0.83 0.18 -2.88 0.00 0.00 179.24 175.71 2jpe n LEU 57 N -2.39 1.06 -4.97 2.28 4.77 -1.09 -4.58 117.00 112.08 2jpe n LEU 57 Ca -0.02 0.00 -0.21 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 0.12 0.13 0.23 0.00 -1.33 0.00 0.00 177.39 176.53 2jpe n ASP 59 N -1.99 0.99 -1.83 0.00 -0.08 -1.26 -4.08 116.55 108.30 2jpe n ASP 59 Ca 0.02 0.28 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 2jpe n ASP 59 Cb 0.58 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 44.01 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 -3.08 -1.82 -3.60 -0.67 3.01 -1.26 -4.96 117.46 105.08 2jpe n PHE 60 Ca -0.24 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.17 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 0.44 -0.80 0.32 4.37 -4.23 -1.26 -4.44 115.64 110.04 2jpe s THR 61 Ca 0.00 0.08 0.21 0.00 -1.18 0.00 0.00 61.69 60.80 2jpe s THR 61 Cb 0.00 -0.82 0.20 0.00 1.34 0.00 0.00 72.50 73.22 2jpe s THR 61 CO 0.00 0.03 1.91 0.40 -0.54 0.00 0.00 174.62 176.41 2jpe h ILE 62 N 6.10 0.83 -4.97 2.99 2.04 -0.29 -3.47 117.51 120.74 2jpe h ILE 62 Ca -0.17 -1.00 -0.23 0.00 1.00 0.00 0.00 64.86 64.46 2jpe h ILE 62 Cb 1.11 1.60 0.15 0.00 -0.74 0.00 0.00 36.82 38.95 2jpe h ILE 62 CO 0.13 0.25 -0.67 -0.67 0.00 0.00 0.00 178.15 177.19 2jpe n ASP 63 N -3.73 -4.41 -3.71 1.72 2.03 -1.24 -5.01 116.55 102.21 2jpe n ASP 63 Ca -0.01 -0.55 -0.12 0.00 0.52 0.00 0.00 54.79 54.63 2jpe n ASP 63 Cb 0.36 -4.29 -0.10 0.00 -0.72 0.00 0.00 41.12 36.37 2jpe n ASP 63 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 2jpe s HIS 64 N -3.31 -0.55 0.24 -0.67 2.46 -1.26 -5.03 115.29 107.17 2jpe s HIS 64 Ca 0.24 1.27 0.09 0.00 0.47 0.00 0.00 55.06 57.13 2jpe s HIS 64 Cb -0.03 0.22 0.25 0.00 -0.13 0.00 0.00 32.58 32.89 2jpe s HIS 64 CO 0.60 -0.28 1.55 -0.56 -2.47 0.00 0.00 174.74 173.58 2jpe h GLN 65 N 5.97 0.04 0.20 2.88 3.07 -1.97 -3.22 115.11 122.08 2jpe h GLN 65 Ca -0.30 -0.03 -0.01 0.00 0.09 0.00 0.00 58.65 58.40 2jpe h GLN 65 Cb 1.18 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.75 2jpe h GLN 65 CO 0.24 0.70 -0.10 0.77 0.09 0.00 0.00 178.83 180.53 2jpe h SER 66 N 0.03 -0.23 -0.83 0.06 0.02 -2.01 -3.43 113.55 107.16 2jpe h SER 66 Ca -0.01 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 2jpe h SER 66 Cb 1.20 0.06 0.01 0.00 0.14 0.00 0.00 62.40 63.81 2jpe h SER 66 CO 0.09 -0.09 -0.00 0.00 -1.14 0.00 0.00 176.83 175.68 2jpe s SER 68 N -1.80 1.16 0.28 0.00 0.15 -1.26 -4.99 113.70 107.24 2jpe s SER 68 Ca 0.02 -1.31 -0.03 0.00 0.70 0.00 0.00 55.95 55.33 2jpe s SER 68 Cb -0.00 0.15 0.60 0.00 -1.71 0.00 0.00 66.02 65.06 2jpe s SER 68 CO 0.02 -0.68 1.60 0.03 1.20 0.00 0.00 173.24 175.41 2jpe h ARG 69 N 2.51 0.05 -2.18 5.44 -0.00 -1.93 -1.92 114.38 116.35 2jpe h ARG 69 Ca -0.38 -0.00 -0.57 0.00 -0.50 0.00 0.00 59.98 58.54 2jpe h ARG 69 Cb 1.23 -0.01 -0.41 0.00 0.00 0.00 0.00 29.97 30.78 2jpe h ARG 69 CO 0.61 0.03 -0.79 0.28 0.00 0.00 0.00 179.97 180.10 2jpe n VAL 70 N -5.44 1.88 -0.23 2.04 0.31 -1.26 -2.26 118.33 113.36 2jpe n VAL 70 Ca 0.19 -5.15 -0.00 0.00 -0.01 0.00 0.00 64.34 59.36 2jpe n VAL 70 Cb 0.62 -1.36 0.06 0.00 -0.91 0.00 0.00 33.84 32.25 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 3.34 -0.47 -2.34 3.52 2.76 -0.11 -3.42 115.15 118.42 2jpe h HIS 71 Ca 0.13 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.34 2jpe h HIS 71 Cb 0.67 0.31 -0.00 0.00 1.55 0.00 0.00 27.41 29.94 2jpe h HIS 71 CO 0.69 -0.32 0.04 0.00 -1.30 0.00 0.00 177.93 177.04 2jpe n ALA 72 N -3.16 -0.37 -3.33 5.26 0.00 0.19 -2.92 120.51 116.17 2jpe n ALA 72 Ca 0.08 -0.37 -0.14 0.00 0.00 0.00 0.00 53.44 53.01 2jpe n ALA 72 Cb 0.36 0.29 -0.09 0.00 0.00 0.00 0.00 19.45 20.02 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 -1.46 -1.09 0.22 0.00 0.00 -0.64 0.05 121.76 118.84 2jpe s ALA 73 Ca 0.05 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 2jpe s ALA 73 Cb -0.01 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2jpe s ALA 73 CO 0.04 -0.25 0.41 -1.17 0.00 0.00 0.00 175.76 174.79 2jpe s LEU 74 N -0.55 4.20 -0.18 0.00 0.20 -0.82 -0.24 118.68 121.29 2jpe s LEU 74 Ca -0.07 0.43 -0.06 0.00 0.69 0.00 0.00 54.13 55.12 2jpe s LEU 74 Cb -0.03 -3.21 0.09 0.00 -0.43 0.00 0.00 46.19 42.61 2jpe s LEU 74 CO 0.03 -0.07 0.37 -0.69 -0.29 0.00 0.00 176.35 175.70 2jpe s VAL 75 N -1.91 -0.58 -0.49 1.68 1.01 -0.24 -0.19 120.40 119.68 2jpe s VAL 75 Ca 0.39 0.18 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 2jpe s VAL 75 Cb -0.11 -0.62 0.03 0.00 0.00 0.00 0.00 36.38 35.69 2jpe s VAL 75 CO 0.29 0.07 0.94 -0.47 0.00 0.00 0.00 175.10 175.93 2jpe s TYR 76 N 2.55 2.88 0.72 5.22 5.04 0.15 0.30 117.35 134.22 2jpe s TYR 76 Ca 0.00 0.29 -0.15 0.00 -2.44 0.00 0.00 57.07 54.77 2jpe s TYR 76 Cb -0.12 -4.02 0.03 0.00 0.35 0.00 0.00 41.96 38.20 2jpe s TYR 76 CO -0.12 -1.18 1.21 -1.58 -1.34 0.00 0.00 175.55 172.55 2jpe s HIS 77 N 3.85 2.06 -0.09 4.97 2.46 0.36 -3.10 115.29 125.80 2jpe s HIS 77 Ca 0.36 1.59 -0.01 0.00 0.47 0.00 0.00 55.06 57.47 2jpe s HIS 77 Cb -0.11 -3.49 -0.05 0.00 -0.13 0.00 0.00 32.58 28.81 2jpe s HIS 77 CO 0.25 -2.62 -0.09 0.36 -2.47 0.00 0.00 174.74 170.16 2jpe n LYS 78 N -2.65 0.22 0.06 2.88 2.85 0.09 -3.00 118.16 118.61 2jpe n LYS 78 Ca 0.14 0.06 0.11 0.00 -1.05 0.00 0.00 58.31 57.56 2jpe n LYS 78 Cb 0.50 -1.08 0.44 0.00 -0.65 0.00 0.00 35.03 34.24 2jpe n LYS 78 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 177.40 178.07 2jpe n HIS 79 N -2.95 0.42 -0.02 5.58 8.25 -1.26 -2.96 115.22 122.28 2jpe n HIS 79 Ca -0.17 0.15 -0.01 0.00 -0.26 0.00 0.00 57.72 57.43 2jpe n HIS 79 Cb 0.66 -0.74 -0.04 0.00 1.12 0.00 0.00 29.99 30.99 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 -1.87 0.00 -1.87 2.41 4.77 -1.26 -5.02 117.00 114.16 2jpe n LEU 80 Ca 0.04 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.89 2jpe n LEU 80 Cb 0.26 0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.46 2jpe n LEU 80 CO 0.20 0.09 0.03 0.29 -1.33 0.00 0.00 177.39 176.68 2jpe n LYS 81 N -2.07 -3.11 -1.10 3.23 4.01 -1.16 -5.01 118.16 112.95 2jpe n LYS 81 Ca -0.06 0.49 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 2jpe n LYS 81 Cb 0.54 -4.47 0.00 0.00 -0.51 0.00 0.00 35.03 30.59 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 -2.65 1.18 -4.53 1.97 1.74 -1.19 -4.94 116.66 108.25 2jpe n ARG 82 Ca -0.05 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.77 2jpe n ARG 82 Cb 0.56 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.89 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 -0.96 2.25 0.04 1.55 1.01 -1.23 0.14 120.40 123.20 2jpe s VAL 83 Ca 0.00 -2.15 -0.09 0.00 0.00 0.00 0.00 61.98 59.74 2jpe s VAL 83 Cb 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.67 2jpe s VAL 83 CO 0.00 -0.17 0.18 -0.36 0.00 0.00 0.00 175.10 174.75 2jpe s PHE 84 N -2.61 0.08 -0.26 5.22 0.40 0.15 0.22 117.98 121.18 2jpe s PHE 84 Ca 0.33 -0.33 0.01 0.00 -0.60 0.00 0.00 56.93 56.34 2jpe s PHE 84 Cb 0.03 -0.05 0.07 0.00 0.51 0.00 0.00 43.02 43.58 2jpe s PHE 84 CO 0.17 -0.42 -0.02 -1.17 0.70 0.00 0.00 175.22 174.48 2jpe s LEU 85 N -2.13 2.78 -0.45 -0.37 2.96 -0.43 -1.08 118.68 119.97 2jpe s LEU 85 Ca -0.05 -1.35 -0.21 0.00 -0.22 0.00 0.00 54.13 52.30 2jpe s LEU 85 Cb -0.01 -1.19 0.03 0.00 0.50 0.00 0.00 46.19 45.52 2jpe s LEU 85 CO -0.04 -0.28 0.66 -0.63 -1.32 0.00 0.00 176.35 174.74 2jpe s ILE 86 N 1.37 4.80 -1.20 6.68 1.01 0.66 -2.55 121.20 131.97 2jpe s ILE 86 Ca -0.02 0.11 -0.21 0.00 0.00 0.00 0.00 60.65 60.53 2jpe s ILE 86 Cb -0.19 -4.23 -0.04 0.00 0.01 0.00 0.00 42.46 38.01 2jpe s ILE 86 CO -0.09 -0.63 1.89 0.47 0.00 0.00 0.00 174.94 176.57 2jpe n ASP 87 N 6.33 3.63 -4.48 3.58 10.43 -1.25 -1.62 116.55 133.17 2jpe n ASP 87 Ca -0.01 -2.77 -0.13 0.00 2.57 0.00 0.00 54.79 54.45 2jpe n ASP 87 Cb 0.48 -1.68 -0.10 0.00 1.84 0.00 0.00 41.12 41.66 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 11.57 0.72 -4.03 0.64 4.77 -1.15 -2.46 117.00 127.06 2jpe n LEU 88 Ca 0.47 -1.80 -0.27 0.00 -0.03 0.00 0.00 56.01 54.38 2jpe n LEU 88 Cb 0.45 -1.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.04 2jpe n LEU 88 CO 0.75 -2.81 -0.38 -0.46 -1.33 0.00 0.00 177.39 173.15 2jpe n ASN 89 N 15.93 0.63 -4.63 -1.43 0.23 -1.23 -4.63 115.26 120.12 2jpe n ASN 89 Ca 0.40 -1.07 -0.48 0.00 -0.53 0.00 0.00 54.58 52.90 2jpe n ASN 89 Cb 0.42 -1.34 -0.05 0.00 -2.08 0.00 0.00 39.78 36.74 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 -2.35 2.26 -0.29 0.53 2.88 -1.19 -4.78 113.62 110.68 2jpe n SER 90 Ca -0.25 1.11 0.23 0.00 -1.33 0.00 0.00 58.87 58.64 2jpe n SER 90 Cb 0.57 -1.31 0.44 0.00 -0.75 0.00 0.00 64.21 63.16 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 2.58 -0.38 -0.00 2.46 5.66 -1.26 -3.43 114.28 119.91 2jpe n THR 91 Ca 0.16 1.87 -0.02 0.00 -3.05 0.00 0.00 64.05 63.01 2jpe n THR 91 Cb 0.25 -2.92 -0.01 0.00 -1.55 0.00 0.00 70.33 66.10 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 -5.12 0.00 0.00 1.09 8.25 -1.26 -5.13 115.22 113.05 2jpe n HIS 92 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.76 2jpe n HIS 92 Cb 0.99 -0.08 0.00 0.00 1.12 0.00 0.00 29.99 32.02 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 2.76 2.44 3.54 -1.41 0.00 -1.22 -4.98 105.19 106.33 2jpe n GLY 93 Ca -0.02 -1.13 -0.27 0.00 0.00 0.00 0.00 46.02 44.59 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 3.07 0.10 2.61 2.01 -1.26 0.20 115.64 120.38 2jpe s THR 94 Ca 0.00 -1.63 0.01 0.00 0.31 0.00 0.00 61.69 60.38 2jpe s THR 94 Cb 0.00 -2.49 -0.04 0.00 0.01 0.00 0.00 72.50 69.98 2jpe s THR 94 CO 0.00 -0.05 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.48 2jpe s PHE 95 N -1.56 0.85 -0.53 4.92 0.40 -0.56 -0.23 117.98 121.26 2jpe s PHE 95 Ca 0.23 -1.01 0.04 0.00 -0.60 0.00 0.00 56.93 55.60 2jpe s PHE 95 Cb -0.09 -0.51 0.38 0.00 0.51 0.00 0.00 43.02 43.31 2jpe s PHE 95 CO 0.14 -0.26 1.12 -0.11 0.70 0.00 0.00 175.22 176.80 2jpe n LEU 96 N -0.04 4.86 0.00 -0.37 7.94 0.75 -0.96 117.00 129.18 2jpe n LEU 96 Ca -0.11 -5.39 0.00 0.00 -1.11 0.00 0.00 56.01 49.41 2jpe n LEU 96 Cb 0.62 -0.55 0.00 0.00 0.53 0.00 0.00 43.42 44.01 2jpe n LEU 96 CO 0.30 2.26 0.00 0.61 -1.11 0.00 0.00 177.39 179.45 2jpe n GLY 97 N -0.38 2.08 0.02 -3.96 0.00 0.42 -3.98 105.19 99.38 2jpe n GLY 97 Ca 0.37 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.45 1.61 1.44 -1.26 -4.90 115.22 107.66 2jpe n HIS 98 Ca 0.00 -0.13 -0.24 0.00 -2.01 0.00 0.00 57.72 55.34 2jpe n HIS 98 Cb 0.00 -0.02 -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 -0.27 2.57 0.08 0.61 1.01 -1.26 -5.15 121.20 118.79 2jpe s ILE 99 Ca 0.00 -2.35 0.09 0.00 0.00 0.00 0.00 60.65 58.40 2jpe s ILE 99 Cb 0.00 -2.38 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 2jpe s ILE 99 CO 0.00 -0.39 -0.23 0.00 0.00 0.00 0.00 174.94 174.32 2jpe s ARG 100 N -3.53 1.40 0.30 2.79 1.04 -1.26 -0.18 118.95 119.50 2jpe s ARG 100 Ca 0.30 -1.13 0.09 0.00 -1.04 0.00 0.00 55.73 53.95 2jpe s ARG 100 Cb -0.05 -1.66 -0.04 0.00 -2.04 0.00 0.00 34.95 31.16 2jpe s ARG 100 CO 0.16 0.41 0.08 -0.51 -0.04 0.00 0.00 175.30 175.40 2jpe s LEU 101 N -1.59 3.30 0.42 -1.89 1.43 0.68 -4.93 118.68 116.09 2jpe s LEU 101 Ca 0.10 -0.65 -0.08 0.00 -1.03 0.00 0.00 54.13 52.47 2jpe s LEU 101 Cb -0.10 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.27 2jpe s LEU 101 CO 0.03 -0.13 0.74 -1.61 0.23 0.00 0.00 176.35 175.62 2jpe s GLU 102 N -3.77 3.67 -0.64 1.70 0.41 -1.24 -4.36 118.70 114.46 2jpe s GLU 102 Ca 0.34 0.30 -0.06 0.00 -0.41 0.00 0.00 54.97 55.14 2jpe s GLU 102 Cb -0.05 -2.42 -0.13 0.00 -1.78 0.00 0.00 34.13 29.75 2jpe s GLU 102 CO 0.22 -0.06 2.64 -0.35 -0.49 0.00 0.00 175.26 177.22 2jpe n PRO 103 N -1.59 2.17 0.00 0.39 -0.04 -1.25 -3.17 135.00 131.50 2jpe n PRO 103 Ca 0.01 -1.29 0.00 0.00 -0.04 0.00 0.00 63.50 62.18 2jpe n PRO 103 Cb 0.54 -2.26 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 3.32 0.00 -2.30 0.54 8.25 -1.03 -3.52 115.22 120.48 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 31.50 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 4.31 0.57 -0.41 1.02 -1.19 -4.72 119.74 119.32 2jpe s LYS 105 Ca 0.00 1.88 -0.16 0.00 0.02 0.00 0.00 55.97 57.70 2jpe s LYS 105 Cb 0.00 -3.55 -0.05 0.00 -0.52 0.00 0.00 37.83 33.71 2jpe s LYS 105 CO 0.00 -0.52 1.05 -1.25 -0.92 0.00 0.00 175.35 173.71 2jpe s PRO 106 N 2.25 3.45 -0.19 -1.68 0.04 -1.26 -3.70 135.00 133.91 2jpe s PRO 106 Ca 0.61 1.19 -0.02 0.00 0.04 0.00 0.00 61.00 62.83 2jpe s PRO 106 Cb -0.29 -2.05 0.05 0.00 0.04 0.00 0.00 34.50 32.25 2jpe s PRO 106 CO 0.25 -0.71 0.00 -1.14 0.04 0.00 0.00 177.00 175.45 2jpe s GLN 107 N -3.98 0.95 1.00 4.56 2.00 -1.06 -4.90 119.66 118.24 2jpe s GLN 107 Ca 0.63 -0.50 -0.20 0.00 -2.00 0.00 0.00 55.36 53.29 2jpe s GLN 107 Cb -0.15 -2.10 -0.13 0.00 0.80 0.00 0.00 33.01 31.43 2jpe s GLN 107 CO 0.34 -0.58 -0.88 0.00 -0.50 0.00 0.00 175.29 173.67 2jpe n GLN 108 N 4.96 -0.16 -3.61 1.67 10.64 -1.26 -1.31 117.38 128.31 2jpe n GLN 108 Ca -0.10 -0.04 -0.25 0.00 -1.83 0.00 0.00 57.00 54.78 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 -0.10 0.84 -0.39 -1.09 0.61 -4.65 121.20 114.36 2jpe s ILE 109 Ca 0.42 -0.13 -0.12 0.00 -2.23 0.00 0.00 60.65 58.59 2jpe s ILE 109 Cb -0.08 -0.55 0.09 0.00 -1.58 0.00 0.00 42.46 40.34 2jpe s ILE 109 CO 0.74 -0.26 1.11 -2.16 -1.23 0.00 0.00 174.94 173.15 2jpe s PRO 110 N 2.15 1.75 0.55 2.79 0.04 -1.26 -3.47 135.00 137.55 2jpe s PRO 110 Ca 0.02 0.51 -0.18 0.00 0.04 0.00 0.00 61.00 61.40 2jpe s PRO 110 Cb -0.16 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 2jpe s PRO 110 CO -0.09 -1.83 1.07 0.42 0.04 0.00 0.00 177.00 176.61 2jpe s ILE 111 N -3.20 3.64 -1.53 0.56 -1.09 -1.26 -2.74 121.20 115.59 2jpe s ILE 111 Ca 0.62 0.90 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 2jpe s ILE 111 Cb -0.15 -3.36 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 2jpe s ILE 111 CO 0.54 -0.34 0.00 0.47 -1.23 0.00 0.00 174.94 174.38 2jpe n ASP 112 N -1.57 -3.78 -2.36 3.58 8.00 0.24 -4.91 116.55 115.74 2jpe n ASP 112 Ca 0.10 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.95 2jpe n ASP 112 Cb 0.52 -3.50 0.00 0.00 -0.02 0.00 0.00 41.12 38.13 2jpe n ASP 112 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 2jpe n SER 113 N -0.64 -0.25 -3.66 -2.24 2.88 -1.11 -4.87 113.62 103.74 2jpe n SER 113 Ca -0.14 -0.67 -0.06 0.00 -1.33 0.00 0.00 58.87 56.67 2jpe n SER 113 Cb 0.47 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.86 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 -0.79 -0.39 0.12 2.46 2.01 -1.25 -3.68 115.64 114.11 2jpe s THR 114 Ca 0.00 0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.13 2jpe s THR 114 Cb 0.00 -0.87 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 2jpe s THR 114 CO 0.00 0.02 -0.21 0.68 -0.69 0.00 0.00 174.62 174.41 2jpe s VAL 115 N 2.11 1.81 -0.17 3.82 -7.23 -0.42 0.16 120.40 120.48 2jpe s VAL 115 Ca -0.07 -1.64 -0.04 0.00 -1.81 0.00 0.00 61.98 58.42 2jpe s VAL 115 Cb -0.09 -1.67 0.06 0.00 0.56 0.00 0.00 36.38 35.24 2jpe s VAL 115 CO -0.17 -0.08 0.06 -0.94 -0.31 0.00 0.00 175.10 173.66 2jpe s SER 116 N -2.05 2.55 1.15 4.85 1.04 -0.13 -0.68 113.70 120.43 2jpe s SER 116 Ca 0.09 -0.67 -0.16 0.00 0.48 0.00 0.00 55.95 55.69 2jpe s SER 116 Cb -0.09 -0.41 0.26 0.00 0.10 0.00 0.00 66.02 65.88 2jpe s SER 116 CO 0.05 -0.32 1.06 -0.36 0.98 0.00 0.00 173.24 174.65 2jpe s PHE 117 N 2.00 1.17 0.00 5.02 0.40 -1.11 -1.50 117.98 123.96 2jpe s PHE 117 Ca 0.01 0.84 0.00 0.00 -0.60 0.00 0.00 56.93 57.18 2jpe s PHE 117 Cb -0.16 -3.23 0.00 0.00 0.51 0.00 0.00 43.02 40.14 2jpe s PHE 117 CO -0.08 -3.68 0.41 0.41 0.70 0.00 0.00 175.22 172.98 2jpe n GLY 118 N -0.29 -3.00 0.00 4.36 0.00 0.54 -4.15 105.19 102.66 2jpe n GLY 118 Ca 0.07 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.63 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 -1.29 -0.16 -1.20 4.61 0.00 -1.26 -4.67 120.51 116.54 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 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 2jpe n ALA 119 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2jpe n SER 120 N -1.86 -0.01 0.00 0.00 3.41 -1.26 -4.65 113.62 109.25 2jpe n SER 120 Ca 0.00 0.04 0.08 0.00 -0.26 0.00 0.00 58.87 58.73 2jpe n SER 120 Cb 0.00 -0.68 0.41 0.00 -0.26 0.00 0.00 64.21 63.68 2jpe n SER 120 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2jpe n THR 121 N 5.73 0.49 -0.89 6.66 -2.24 -1.26 -2.75 114.28 120.01 2jpe n THR 121 Ca 0.53 0.12 -0.36 0.00 -2.27 0.00 0.00 64.05 62.07 2jpe n THR 121 Cb 0.04 -0.86 0.08 0.00 -2.10 0.00 0.00 70.33 67.49 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 -1.25 -0.50 -3.01 -0.78 5.12 -1.26 -4.81 116.66 110.16 2jpe n ARG 122 Ca 0.08 -0.14 -0.23 0.00 -1.93 0.00 0.00 57.85 55.64 2jpe n ARG 122 Cb 0.12 -1.25 -0.03 0.00 -1.16 0.00 0.00 32.46 30.14 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 -3.69 3.53 -1.20 7.54 0.00 0.50 -4.17 120.51 123.02 2jpe n ALA 123 Ca -0.01 -4.08 -0.37 0.00 0.00 0.00 0.00 53.44 48.98 2jpe n ALA 123 Cb 0.69 -0.81 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.03 0.55 -3.15 0.00 4.02 0.15 -3.92 117.16 114.77 2jpe n TYR 124 Ca 0.28 0.37 -0.46 0.00 -0.01 0.00 0.00 57.90 58.09 2jpe n TYR 124 Cb 0.53 -1.95 -0.03 0.00 -0.02 0.00 0.00 39.34 37.87 2jpe n TYR 124 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 2jpe s THR 125 N 7.00 5.19 -0.32 -0.72 2.01 -1.15 -1.30 115.64 126.35 2jpe s THR 125 Ca 1.10 -1.96 -0.28 0.00 0.31 0.00 0.00 61.69 60.87 2jpe s THR 125 Cb -1.08 -4.59 -0.04 0.00 0.01 0.00 0.00 72.50 66.81 2jpe s THR 125 CO 0.43 -1.22 2.05 -0.22 -0.69 0.00 0.00 174.62 174.97 2jpe s LEU 126 N 1.42 3.45 0.00 4.42 1.98 -1.24 -3.67 118.68 125.04 2jpe s LEU 126 Ca 0.23 1.46 0.02 0.00 -2.89 0.00 0.00 54.13 52.95 2jpe s LEU 126 Cb -0.10 -3.33 0.04 0.00 0.66 0.00 0.00 46.19 43.45 2jpe s LEU 126 CO -0.07 -1.99 0.29 -1.14 -1.89 0.00 0.00 176.35 171.55 2jpe n ARG 127 N 8.69 0.72 -3.20 1.98 3.00 -1.07 0.83 116.66 127.61 2jpe n ARG 127 Ca 0.27 -1.02 0.01 0.00 -0.00 0.00 0.00 57.85 57.11 2jpe n ARG 127 Cb 0.47 -0.13 -0.02 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 -3.02 0.52 -0.80 -0.14 2.12 -1.26 -3.93 118.70 112.18 2jpe s GLU 128 Ca 0.21 0.72 -0.21 0.00 0.36 0.00 0.00 54.97 56.06 2jpe s GLU 128 Cb -0.02 0.22 -0.20 0.00 0.26 0.00 0.00 34.13 34.40 2jpe s GLU 128 CO 0.14 -0.78 2.07 1.63 -0.54 0.00 0.00 175.26 177.77 2jpe n LYS 129 N 5.41 0.00 0.00 4.30 5.02 0.18 -4.84 118.16 128.23 2jpe n LYS 129 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2jpe n LYS 129 Cb 0.51 -1.11 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 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 6.26 0.67 -1.79 1.97 -0.04 -1.26 -4.81 135.00 136.00 2jpe n PRO 130 Ca 0.54 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.61 2jpe n PRO 130 Cb 0.05 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 33.54 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 -0.66 3.21 0.00 0.54 2.00 -1.26 -5.14 119.66 118.35 2jpe s GLN 131 Ca 0.00 2.25 0.26 0.00 -2.00 0.00 0.00 55.36 55.87 2jpe s GLN 131 Cb 0.00 -2.31 0.53 0.00 0.80 0.00 0.00 33.01 32.03 2jpe s GLN 131 CO 0.00 -1.14 1.45 0.25 -0.50 0.00 0.00 175.29 175.35