#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jop s LEU 26 N 0.00 1.67 0.06 0.55 1.43 -1.26 -5.06 118.68 116.06 2jop s LEU 26 Ca 0.00 -0.58 0.03 0.00 -1.03 0.00 0.00 54.13 52.54 2jop s LEU 26 Cb 0.00 -1.03 -0.03 0.00 0.03 0.00 0.00 46.19 45.16 2jop s LEU 26 CO 0.00 -0.13 -0.08 -0.94 0.23 0.00 0.00 176.35 175.43 2jop s SER 27 N 1.57 1.01 0.29 2.29 1.04 -1.25 -0.21 113.70 118.44 2jop s SER 27 Ca 0.02 -0.64 0.24 0.00 0.48 0.00 0.00 55.95 56.05 2jop s SER 27 Cb -0.14 0.03 1.06 0.00 0.10 0.00 0.00 66.02 67.07 2jop s SER 27 CO -0.09 -0.23 1.71 -2.67 0.98 0.00 0.00 173.24 172.94 2jop n TRP 28 N 1.17 0.83 0.98 5.02 4.27 -1.26 -1.62 117.44 126.83 2jop n TRP 28 Ca -0.21 0.35 0.12 0.00 -3.89 0.00 0.00 57.50 53.88 2jop n TRP 28 Cb 0.56 -1.07 0.24 0.00 -1.36 0.00 0.00 31.31 29.67 2jop n TRP 28 CO 0.00 0.00 0.00 2.48 -2.29 0.00 0.00 177.69 177.88 2jop n TYR 29 N -2.28 0.12 -2.21 -2.67 4.11 -1.26 -4.61 117.16 108.36 2jop n TYR 29 Ca 0.01 -0.06 -0.42 0.00 -0.00 0.00 0.00 57.90 57.43 2jop n TYR 29 Cb 0.18 0.00 -0.03 0.00 -0.00 0.00 0.00 39.34 39.49 2jop n TYR 29 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.86 176.35 2jop s ASP 30 N -1.85 6.87 0.25 9.48 1.01 -0.64 -4.93 116.67 126.86 2jop s ASP 30 Ca 0.33 2.29 -0.04 0.00 0.71 0.00 0.00 52.55 55.84 2jop s ASP 30 Cb 0.21 -2.59 0.38 0.00 1.01 0.00 0.00 42.92 41.93 2jop s ASP 30 CO 0.31 -0.61 1.85 -0.65 0.21 0.00 0.00 175.17 176.28 2jop h PRO 31 N 6.66 0.98 -0.00 8.23 0.11 -1.89 -0.98 132.00 145.10 2jop h PRO 31 Ca -0.42 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2jop h PRO 31 Cb 1.21 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2jop h PRO 31 CO 0.85 0.65 -0.15 -0.40 -0.21 0.00 0.00 178.00 178.74 2jop n ASP 32 N -4.60 0.51 -4.63 -2.05 5.75 -1.26 -4.80 116.55 105.47 2jop n ASP 32 Ca 0.14 -0.52 -0.43 0.00 -0.01 0.00 0.00 54.79 53.97 2jop n ASP 32 Cb 0.21 -0.05 -0.02 0.00 -1.03 0.00 0.00 41.12 40.22 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jop s PHE 33 N -2.55 2.71 -0.32 2.11 5.36 -0.38 -4.97 117.98 119.95 2jop s PHE 33 Ca 0.26 0.88 -0.27 0.00 -0.96 0.00 0.00 56.93 56.85 2jop s PHE 33 Cb 0.20 -3.90 0.01 0.00 -0.34 0.00 0.00 43.02 38.99 2jop s PHE 33 CO 0.50 -1.66 0.96 -1.14 -1.46 0.00 0.00 175.22 172.42 2jop s GLN 34 N 4.14 4.01 0.01 10.12 0.74 -1.26 -4.88 119.66 132.55 2jop s GLN 34 Ca 0.56 0.87 -0.12 0.00 0.05 0.00 0.00 55.36 56.72 2jop s GLN 34 Cb -0.16 -3.74 0.01 0.00 1.10 0.00 0.00 33.01 30.22 2jop s GLN 34 CO 0.23 -0.82 0.24 0.00 -0.55 0.00 0.00 175.29 174.38 2jop s ALA 35 N 3.39 -0.56 -0.02 1.58 0.00 -1.26 -1.87 121.76 123.02 2jop s ALA 35 Ca 0.40 0.04 -0.18 0.00 0.00 0.00 0.00 51.96 52.23 2jop s ALA 35 Cb -0.13 0.15 0.06 0.00 0.00 0.00 0.00 23.12 23.20 2jop s ALA 35 CO 0.14 -0.28 0.82 2.89 0.00 0.00 0.00 175.76 179.33 2jop n ARG 36 N 1.13 0.11 -3.37 0.00 0.00 -0.75 -4.88 116.66 108.90 2jop n ARG 36 Ca -0.21 -0.48 -0.31 0.00 -0.00 0.00 0.00 57.85 56.85 2jop n ARG 36 Cb 0.57 0.80 -0.05 0.00 -0.00 0.00 0.00 32.46 33.77 2jop n ARG 36 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2jop s LEU 37 N 0.00 4.13 0.68 2.89 1.43 -1.26 0.02 118.68 126.58 2jop s LEU 37 Ca 0.19 0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 54.06 2jop s LEU 37 Cb -0.00 -3.70 0.01 0.00 0.03 0.00 0.00 46.19 42.53 2jop s LEU 37 CO -0.01 -0.11 1.14 0.42 0.23 0.00 0.00 176.35 178.03 2jop s THR 38 N -1.88 2.93 -0.74 5.49 -4.23 0.64 -4.73 115.64 113.11 2jop s THR 38 Ca 0.47 0.44 -0.19 0.00 -1.18 0.00 0.00 61.69 61.24 2jop s THR 38 Cb -0.11 -2.97 -0.15 0.00 1.34 0.00 0.00 72.50 70.61 2jop s THR 38 CO 0.23 -0.26 1.92 -2.11 -0.54 0.00 0.00 174.62 173.86 2jop n ARG 39 N -2.50 1.50 -0.12 3.99 1.85 -1.26 -4.24 116.66 115.88 2jop n ARG 39 Ca 0.11 -1.71 -0.24 0.00 -1.00 0.00 0.00 57.85 55.01 2jop n ARG 39 Cb 0.51 -2.80 -0.08 0.00 -1.05 0.00 0.00 32.46 29.05 2jop n ARG 39 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 2jop n SER 40 N 6.91 1.84 0.00 2.89 3.41 -1.26 -4.91 113.62 122.50 2jop n SER 40 Ca 0.47 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 2jop n SER 40 Cb 0.35 -0.75 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2jop n SER 40 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2jop n ASN 41 N -4.21 0.99 -3.53 4.04 4.13 -1.24 -5.10 115.26 110.34 2jop n ASN 41 Ca -0.44 0.00 -0.11 0.00 1.68 0.00 0.00 54.58 55.72 2jop n ASN 41 Cb 0.79 0.07 -0.04 0.00 -1.54 0.00 0.00 39.78 39.06 2jop n ASN 41 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 2jop s SER 42 N -2.01 -0.42 0.53 6.41 0.15 -0.15 -4.91 113.70 113.30 2jop s SER 42 Ca 0.00 0.25 0.28 0.00 0.70 0.00 0.00 55.95 57.18 2jop s SER 42 Cb 0.00 0.39 1.50 0.00 -1.71 0.00 0.00 66.02 66.20 2jop s SER 42 CO 0.00 -0.54 2.09 0.07 1.20 0.00 0.00 173.24 176.05 2jop h LYS 43 N 2.34 0.00 -0.20 5.44 2.10 -1.85 -2.67 116.57 121.74 2jop h LYS 43 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 2jop h LYS 43 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2jop h LYS 43 CO 0.33 0.10 0.00 0.00 -2.00 0.00 0.00 179.45 177.88 2jop s GLN 45 N -2.44 0.57 0.00 0.00 0.74 -1.01 -0.41 119.66 117.12 2jop s GLN 45 Ca 0.34 1.30 0.00 0.00 0.05 0.00 0.00 55.36 57.05 2jop s GLN 45 Cb 0.27 0.55 0.00 0.00 1.10 0.00 0.00 33.01 34.93 2jop s GLN 45 CO 0.08 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 2jop n GLY 46 N 5.06 -0.76 3.77 2.59 0.00 -0.72 -0.98 105.19 114.15 2jop n GLY 46 Ca -0.14 -1.34 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 2jop n GLY 46 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jop s GLN 47 N -1.97 3.08 -0.14 1.61 -1.52 -1.26 -2.41 119.66 117.04 2jop s GLN 47 Ca 0.00 1.51 -0.27 0.00 -1.95 0.00 0.00 55.36 54.66 2jop s GLN 47 Cb 0.00 -1.98 -0.01 0.00 -0.22 0.00 0.00 33.01 30.80 2jop s GLN 47 CO 0.00 -1.05 0.88 -1.17 -0.25 0.00 0.00 175.29 173.70 2jop s LEU 48 N -4.32 4.21 -0.26 2.90 2.96 -1.26 -0.26 118.68 122.64 2jop s LEU 48 Ca 0.70 1.29 0.00 0.00 -0.22 0.00 0.00 54.13 55.90 2jop s LEU 48 Cb -0.22 -3.33 0.05 0.00 0.50 0.00 0.00 46.19 43.18 2jop s LEU 48 CO 0.34 -0.40 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.20 2jop s GLU 49 N 2.02 2.48 -0.05 1.98 2.12 0.10 -0.89 118.70 126.46 2jop s GLU 49 Ca 0.41 -1.21 0.06 0.00 0.36 0.00 0.00 54.97 54.60 2jop s GLU 49 Cb -0.17 -2.98 -0.01 0.00 0.26 0.00 0.00 34.13 31.22 2jop s GLU 49 CO 0.14 -0.53 -0.24 0.14 -0.54 0.00 0.00 175.26 174.24 2jop s VAL 50 N 1.21 2.21 -0.55 3.70 -7.23 -0.88 -1.81 120.40 117.06 2jop s VAL 50 Ca -0.05 -1.02 -0.20 0.00 -1.81 0.00 0.00 61.98 58.90 2jop s VAL 50 Cb -0.19 -1.80 0.07 0.00 0.56 0.00 0.00 36.38 35.02 2jop s VAL 50 CO -0.04 0.57 0.71 -0.47 -0.31 0.00 0.00 175.10 175.56 2jop s TYR 51 N -0.31 2.98 -0.08 2.82 5.04 -0.78 -0.21 117.35 126.81 2jop s TYR 51 Ca 0.01 -0.62 -0.09 0.00 -2.44 0.00 0.00 57.07 53.94 2jop s TYR 51 Cb -0.13 -3.79 0.02 0.00 0.35 0.00 0.00 41.96 38.41 2jop s TYR 51 CO 0.02 -1.19 0.24 -0.48 -1.34 0.00 0.00 175.55 172.80 2jop s LEU 52 N 2.90 1.10 0.00 6.97 -0.00 -0.93 -4.60 118.68 124.12 2jop s LEU 52 Ca 0.16 0.39 0.00 0.00 -0.00 0.00 0.00 54.13 54.68 2jop s LEU 52 Cb -0.20 0.85 0.00 0.00 -0.00 0.00 0.00 46.19 46.85 2jop s LEU 52 CO 0.11 -0.14 0.00 1.17 -0.00 0.00 0.00 176.35 177.49 2jop n LYS 53 N 2.66 0.00 0.00 1.48 4.81 -1.26 -1.72 118.16 124.13 2jop n LYS 53 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 2jop n LYS 53 Cb 0.58 -0.34 0.00 0.00 0.02 0.00 0.00 35.03 35.29 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2jop n ASP 54 N 1.00 0.00 -4.74 3.14 5.75 -1.26 -5.14 116.55 115.30 2jop n ASP 54 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 54.79 54.42 2jop n ASP 54 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2jop n ASP 54 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2jop s GLY 55 N 0.00 2.16 -1.03 6.12 0.00 -0.70 -4.97 107.32 108.90 2jop s GLY 55 Ca 0.00 -0.53 -0.23 0.00 0.00 0.00 0.00 44.72 43.96 2jop s GLY 55 CO 0.00 0.29 1.93 0.79 0.00 0.00 0.00 173.10 176.11 2jop n TRP 56 N 3.41 2.21 -2.41 1.90 7.02 -1.25 -2.19 117.44 126.13 2jop n TRP 56 Ca -0.14 -1.34 -0.43 0.00 -1.02 0.00 0.00 57.50 54.57 2jop n TRP 56 Cb 0.52 -2.33 -0.02 0.00 -2.42 0.00 0.00 31.31 27.06 2jop n TRP 56 CO 0.00 0.00 0.00 -1.01 -2.02 0.00 0.00 177.69 174.66 2jop s HIS 57 N 10.29 2.74 -0.67 -5.99 3.76 0.71 -4.64 115.29 121.48 2jop s HIS 57 Ca 0.68 0.92 -0.27 0.00 -0.15 0.00 0.00 55.06 56.24 2jop s HIS 57 Cb 0.03 -3.70 0.01 0.00 1.11 0.00 0.00 32.58 30.03 2jop s HIS 57 CO 0.15 -1.77 1.46 -1.64 -0.85 0.00 0.00 174.74 172.08 2jop s MET 58 N 3.85 3.07 0.48 1.40 -1.94 -1.26 -2.07 119.30 122.83 2jop s MET 58 Ca 0.56 0.13 -0.04 0.00 -1.71 0.00 0.00 55.69 54.63 2jop s MET 58 Cb -0.20 -4.22 -0.02 0.00 2.01 0.00 0.00 34.83 32.40 2jop s MET 58 CO 0.19 -2.26 0.75 0.14 -0.01 0.00 0.00 175.02 173.84 2jop s VAL 59 N 6.67 4.56 -0.57 -6.03 -7.23 -0.07 -0.44 120.40 117.29 2jop s VAL 59 Ca 0.47 -0.05 0.11 0.00 -1.81 0.00 0.00 61.98 60.70 2jop s VAL 59 Cb -0.10 -3.73 0.60 0.00 0.56 0.00 0.00 36.38 33.71 2jop s VAL 59 CO 0.19 -0.65 1.42 0.00 -0.31 0.00 0.00 175.10 175.75 2jop n SER 61 N 0.51 0.00 -0.53 0.00 7.64 -1.26 -3.84 113.62 116.13 2jop n SER 61 Ca 0.20 0.00 0.05 0.00 1.01 0.00 0.00 58.87 60.13 2jop n SER 61 Cb 0.91 0.00 0.14 0.00 -1.01 0.00 0.00 64.21 64.25 2jop n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jop n GLN 62 N 0.00 1.67 -0.52 1.43 -0.00 -1.26 -4.90 117.38 113.80 2jop n GLN 62 Ca 0.00 -1.04 -0.29 0.00 -0.00 0.00 0.00 57.00 55.67 2jop n GLN 62 Cb 0.00 -1.23 0.24 0.00 -0.00 0.00 0.00 30.24 29.25 2jop n GLN 62 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2jop n SER 63 N 0.34 -1.18 0.00 2.61 7.64 -1.26 -2.09 113.62 119.69 2jop n SER 63 Ca 0.10 -0.01 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2jop n SER 63 Cb 0.25 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 2jop n SER 63 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 2jop n TRP 64 N -4.81 0.00 -0.08 1.43 8.01 0.16 -4.08 117.44 118.07 2jop n TRP 64 Ca 0.05 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.15 2jop n TRP 64 Cb 0.53 0.00 -0.02 0.00 -2.01 0.00 0.00 31.31 29.81 2jop n TRP 64 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 177.69 177.46 2jop h GLY 65 N 0.00 0.41 -1.37 6.99 0.00 -1.73 -3.22 103.07 104.16 2jop h GLY 65 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 47.33 46.72 2jop h GLY 65 CO 0.00 0.18 -0.41 0.54 0.00 0.00 0.00 176.54 176.85 2jop n ARG 66 N -4.84 -1.50 0.09 4.80 1.74 -0.89 -4.88 116.66 111.19 2jop n ARG 66 Ca -0.02 1.19 -0.12 0.00 -0.77 0.00 0.00 57.85 58.12 2jop n ARG 66 Cb 0.07 -5.62 -0.05 0.00 -1.02 0.00 0.00 32.46 25.84 2jop n ARG 66 CO 0.00 0.00 0.00 0.77 -1.52 0.00 0.00 177.63 176.88 2jop h SER 67 N 0.00 -0.77 -0.56 0.55 0.02 -1.89 -3.47 113.55 107.43 2jop h SER 67 Ca -0.44 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 2jop h SER 67 Cb 1.35 0.30 0.00 0.00 0.14 0.00 0.00 62.40 64.20 2jop h SER 67 CO 0.61 -0.34 0.00 -0.24 -1.14 0.00 0.00 176.83 175.72 2jop n SER 68 N -5.38 0.00 -4.62 3.07 2.88 -1.26 -5.13 113.62 103.17 2jop n SER 68 Ca -0.06 -0.85 -0.38 0.00 -1.33 0.00 0.00 58.87 56.26 2jop n SER 68 Cb 0.29 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.65 2jop n SER 68 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2jop s LYS 69 N -1.55 4.01 -0.21 -1.46 1.02 -1.26 -4.69 119.74 115.59 2jop s LYS 69 Ca 0.00 -0.25 -0.04 0.00 0.02 0.00 0.00 55.97 55.70 2jop s LYS 69 Cb 0.00 -3.61 0.02 0.00 -0.52 0.00 0.00 37.83 33.72 2jop s LYS 69 CO 0.00 -0.09 0.08 0.94 -0.92 0.00 0.00 175.35 175.36 2jop n GLN 70 N 4.75 -3.21 -2.63 1.68 7.27 -1.26 -4.95 117.38 119.03 2jop n GLN 70 Ca -0.14 2.59 -0.41 0.00 0.07 0.00 0.00 57.00 59.11 2jop n GLN 70 Cb 0.52 -4.49 -0.04 0.00 2.41 0.00 0.00 30.24 28.64 2jop n GLN 70 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2jop s TRP 71 N -1.04 3.73 0.05 3.69 0.52 -1.26 -4.95 118.94 119.69 2jop s TRP 71 Ca -0.09 1.72 0.17 0.00 0.02 0.00 0.00 56.10 57.92 2jop s TRP 71 Cb 0.01 -3.15 0.40 0.00 -1.15 0.00 0.00 33.47 29.58 2jop s TRP 71 CO 0.65 -0.14 1.60 1.05 0.02 0.00 0.00 176.95 180.13 2jop h GLU 72 N 5.16 0.00 -4.64 4.98 4.11 -1.92 -3.40 114.58 118.86 2jop h GLU 72 Ca -0.44 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.32 2jop h GLU 72 Cb 1.21 0.00 -0.38 0.00 0.50 0.00 0.00 28.75 30.08 2jop h GLU 72 CO 0.72 0.47 -0.67 0.34 0.07 0.00 0.00 179.01 179.93 2jop s ASP 73 N -6.47 4.91 -0.40 3.06 2.15 -1.26 -4.99 116.67 113.68 2jop s ASP 73 Ca 0.01 -2.01 -0.01 0.00 0.43 0.00 0.00 52.55 50.97 2jop s ASP 73 Cb 0.10 -1.69 0.26 0.00 -0.30 0.00 0.00 42.92 41.28 2jop s ASP 73 CO 0.72 -0.41 2.05 -0.81 -0.17 0.00 0.00 175.17 176.54 2jop n PRO 74 N 4.40 2.02 0.00 4.34 -0.04 -1.26 -4.95 135.00 139.51 2jop n PRO 74 Ca -0.00 -1.97 0.00 0.00 -0.04 0.00 0.00 63.50 61.48 2jop n PRO 74 Cb 0.42 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2jop n PRO 74 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2jop n SER 75 N 0.09 -0.34 0.00 3.54 3.41 -1.26 -4.33 113.62 114.73 2jop n SER 75 Ca 0.38 -0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2jop n SER 75 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 2jop n SER 75 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jop n GLN 76 N -0.73 0.00 -0.23 4.33 1.13 -1.26 -4.53 117.38 116.08 2jop n GLN 76 Ca 0.00 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 55.08 2jop n GLN 76 Cb 0.00 -0.20 0.12 0.00 0.11 0.00 0.00 30.24 30.27 2jop n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jop n ALA 77 N 0.00 2.79 -0.15 -1.58 0.00 -1.26 -4.16 120.51 116.15 2jop n ALA 77 Ca 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 53.44 52.87 2jop n ALA 77 Cb 0.00 -1.02 0.05 0.00 0.00 0.00 0.00 19.45 18.47 2jop n ALA 77 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2jop h SER 78 N 1.23 0.23 -0.57 0.00 4.64 -1.84 -0.93 113.55 116.31 2jop h SER 78 Ca 0.00 0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.43 2jop h SER 78 Cb 0.77 0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 62.83 2jop h SER 78 CO 0.11 0.17 0.38 0.50 -0.87 0.00 0.00 176.83 177.12 2jop h LYS 79 N 0.38 0.51 0.69 4.77 3.11 -1.91 -0.60 116.57 123.52 2jop h LYS 79 Ca 0.21 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.99 2jop h LYS 79 Cb 0.18 -0.12 0.01 0.00 -1.00 0.00 0.00 32.23 31.30 2jop h LYS 79 CO -0.19 0.34 -0.33 0.28 -2.81 0.00 0.00 179.45 176.74 2jop h VAL 80 N 0.53 0.00 0.00 2.00 2.07 -1.43 -1.11 116.25 118.31 2jop h VAL 80 Ca 0.25 -0.14 -0.12 0.00 0.82 0.00 0.00 66.70 67.51 2jop h VAL 80 Cb 0.30 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2jop h VAL 80 CO -0.07 0.00 -0.55 0.00 0.02 0.00 0.00 177.57 176.97 2jop h GLN 82 N 0.00 1.15 0.00 0.00 4.15 -0.93 0.83 115.11 120.31 2jop h GLN 82 Ca -0.01 -0.09 -0.08 0.00 0.77 0.00 0.00 58.65 59.24 2jop h GLN 82 Cb 1.02 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 28.45 2jop h GLN 82 CO 0.07 0.79 -0.37 -0.09 -1.93 0.00 0.00 178.83 177.30 2jop h ARG 83 N 1.17 0.00 -0.65 1.69 2.43 -0.49 -2.52 114.38 116.01 2jop h ARG 83 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2jop h ARG 83 Cb -0.07 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2jop h ARG 83 CO -0.06 0.37 0.00 1.28 -1.51 0.00 0.00 179.97 180.05 2jop n LEU 84 N -3.48 4.26 -4.14 3.80 4.32 -0.62 -4.93 117.00 116.22 2jop n LEU 84 Ca 0.00 -2.15 -0.35 0.00 -0.02 0.00 0.00 56.01 53.49 2jop n LEU 84 Cb 0.53 -0.57 -0.02 0.00 -1.62 0.00 0.00 43.42 41.73 2jop n LEU 84 CO 0.37 0.62 -0.01 -0.46 -1.22 0.00 0.00 177.39 176.68 2jop n ASN 85 N 0.71 -3.51 -1.01 -1.43 0.23 -0.58 -4.83 115.26 104.84 2jop n ASN 85 Ca 0.21 -0.94 0.09 0.00 -0.53 0.00 0.00 54.58 53.41 2jop n ASN 85 Cb 0.85 -2.86 0.23 0.00 -2.08 0.00 0.00 39.78 35.91 2jop n ASN 85 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jop n GLY 87 N 1.16 0.81 3.90 0.00 0.00 -1.24 -4.38 105.19 105.44 2jop n GLY 87 Ca 0.18 -1.02 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2jop n GLY 87 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jop s ASP 88 N -4.00 4.24 0.48 1.61 1.01 -1.26 -2.79 116.67 115.96 2jop s ASP 88 Ca 0.00 0.73 -0.22 0.00 0.71 0.00 0.00 52.55 53.77 2jop s ASP 88 Cb 0.00 -1.16 -0.07 0.00 1.01 0.00 0.00 42.92 42.70 2jop s ASP 88 CO 0.00 -2.07 1.15 -2.16 0.21 0.00 0.00 175.17 172.31 2jop s PRO 89 N -5.60 3.65 -0.34 8.23 0.04 -1.26 -1.00 135.00 138.71 2jop s PRO 89 Ca 0.64 1.73 -0.31 0.00 0.04 0.00 0.00 61.00 63.10 2jop s PRO 89 Cb -0.10 -2.30 -0.13 0.00 0.04 0.00 0.00 34.50 32.01 2jop s PRO 89 CO 0.50 -0.63 1.31 1.47 0.04 0.00 0.00 177.00 179.68 2jop n LEU 90 N -0.71 0.64 -4.78 -3.56 -0.00 -1.25 -0.61 117.00 106.73 2jop n LEU 90 Ca 0.08 0.60 -0.37 0.00 -0.00 0.00 0.00 56.01 56.33 2jop n LEU 90 Cb 0.49 -0.61 -0.03 0.00 -0.00 0.00 0.00 43.42 43.27 2jop n LEU 90 CO 0.46 -0.54 0.77 -0.55 -0.00 0.00 0.00 177.39 177.52 2jop s SER 91 N 3.26 6.69 -0.06 1.45 0.15 0.80 -4.34 113.70 121.64 2jop s SER 91 Ca 0.78 2.14 -0.04 0.00 0.70 0.00 0.00 55.95 59.53 2jop s SER 91 Cb -1.02 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 60.65 2jop s SER 91 CO 0.49 -0.54 0.11 -0.22 1.20 0.00 0.00 173.24 174.28 2jop s LEU 92 N -2.56 4.14 0.00 3.45 2.96 -1.26 -0.42 118.68 124.98 2jop s LEU 92 Ca 0.57 0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 54.73 2jop s LEU 92 Cb -0.25 -2.19 0.02 0.00 0.50 0.00 0.00 46.19 44.27 2jop s LEU 92 CO 0.31 0.34 0.33 0.61 -1.32 0.00 0.00 176.35 176.62 2jop n GLY 93 N 1.59 1.12 3.66 7.98 0.00 -0.42 -4.60 105.19 114.53 2jop n GLY 93 Ca -0.16 -1.00 -0.43 0.00 0.00 0.00 0.00 46.02 44.43 2jop n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jop s PRO 94 N -2.02 4.28 -0.65 1.61 0.04 -1.26 -0.14 135.00 136.86 2jop s PRO 94 Ca 0.07 1.30 0.03 0.00 0.04 0.00 0.00 61.00 62.43 2jop s PRO 94 Cb -0.01 -3.62 0.37 0.00 0.04 0.00 0.00 34.50 31.28 2jop s PRO 94 CO 0.02 -0.55 1.39 0.34 0.04 0.00 0.00 177.00 178.24 2jop n PHE 95 N 6.00 3.38 -4.07 0.56 7.35 -0.73 -4.79 117.46 125.15 2jop n PHE 95 Ca 0.10 -3.06 0.00 0.00 -0.76 0.00 0.00 57.45 53.74 2jop n PHE 95 Cb 0.47 -0.59 0.00 0.00 0.35 0.00 0.00 39.48 39.71 2jop n PHE 95 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2jop n LEU 96 N -0.38 0.00 -4.32 -2.13 4.77 -1.26 -4.30 117.00 109.37 2jop n LEU 96 Ca 0.42 0.00 -0.36 0.00 -0.03 0.00 0.00 56.01 56.04 2jop n LEU 96 Cb 0.44 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.40 2jop n LEU 96 CO 0.40 -0.03 -0.33 -0.75 -1.33 0.00 0.00 177.39 175.35 2jop s LYS 97 N 0.00 3.20 0.00 3.23 2.20 -1.26 -4.29 119.74 122.82 2jop s LYS 97 Ca 0.00 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 54.85 2jop s LYS 97 Cb 0.00 -3.19 0.00 0.00 -1.51 0.00 0.00 37.83 33.13 2jop s LYS 97 CO 0.00 -0.33 0.00 2.41 -0.36 0.00 0.00 175.35 177.07 2jop n THR 98 N 4.82 0.00 -2.98 3.43 -1.04 -1.26 -5.11 114.28 112.14 2jop n THR 98 Ca -0.16 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.77 2jop n THR 98 Cb 0.49 -0.42 0.03 0.00 -1.82 0.00 0.00 70.33 68.60 2jop n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jop n TYR 99 N -2.24 -2.75 -3.96 -1.42 0.18 -1.26 -5.13 117.16 100.58 2jop n TYR 99 Ca 0.00 -0.82 -0.16 0.00 1.88 0.00 0.00 57.90 58.81 2jop n TYR 99 Cb 0.34 -0.22 -0.15 0.00 -0.38 0.00 0.00 39.34 38.92 2jop n TYR 99 CO 0.00 0.00 0.00 0.99 -2.08 0.00 0.00 176.86 175.77 2jop s THR 100 N -0.43 0.18 0.56 -3.48 2.01 -1.26 -5.01 115.64 108.21 2jop s THR 100 Ca 0.24 0.02 0.33 0.00 0.31 0.00 0.00 61.69 62.59 2jop s THR 100 Cb -0.02 -0.24 0.49 0.00 0.01 0.00 0.00 72.50 72.75 2jop s THR 100 CO 0.15 0.11 1.81 -0.65 -0.69 0.00 0.00 174.62 175.36 2jop h PRO 101 N 6.85 0.00 0.00 4.92 0.11 -1.87 0.40 132.00 142.41 2jop h PRO 101 Ca -0.37 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.64 2jop h PRO 101 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2jop h PRO 101 CO 0.49 0.00 -1.38 0.94 -0.21 0.00 0.00 178.00 177.84 2jop n GLN 102 N -4.05 0.62 -0.06 1.05 7.27 -1.26 -2.97 117.38 117.98 2jop n GLN 102 Ca 0.20 0.12 -0.21 0.00 0.07 0.00 0.00 57.00 57.19 2jop n GLN 102 Cb 1.08 -1.77 -0.13 0.00 2.41 0.00 0.00 30.24 31.84 2jop n GLN 102 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 2jop n SER 103 N -2.72 2.04 -4.86 1.69 7.64 0.11 -4.98 113.62 112.53 2jop n SER 103 Ca -0.07 0.09 -0.21 0.00 1.01 0.00 0.00 58.87 59.69 2jop n SER 103 Cb 0.71 -0.69 0.08 0.00 -1.01 0.00 0.00 64.21 63.30 2jop n SER 103 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2jop s SER 104 N -6.85 4.80 0.06 6.43 1.04 0.76 -4.71 113.70 115.24 2jop s SER 104 Ca -0.29 -0.55 0.01 0.00 0.48 0.00 0.00 55.95 55.60 2jop s SER 104 Cb 0.08 0.02 -0.03 0.00 0.10 0.00 0.00 66.02 66.19 2jop s SER 104 CO 0.68 -1.53 -0.06 0.27 0.98 0.00 0.00 173.24 173.58 2jop s ILE 105 N -2.87 0.47 -0.29 -1.02 -5.25 0.41 -2.96 121.20 109.69 2jop s ILE 105 Ca 0.63 -1.54 0.02 0.00 -0.99 0.00 0.00 60.65 58.78 2jop s ILE 105 Cb -0.06 -1.16 0.08 0.00 2.95 0.00 0.00 42.46 44.27 2jop s ILE 105 CO 0.41 -0.72 0.00 -0.63 -1.79 0.00 0.00 174.94 172.21 2jop s ILE 106 N -2.78 1.81 0.67 8.37 1.01 0.95 -2.92 121.20 128.31 2jop s ILE 106 Ca 0.01 -1.75 -0.08 0.00 0.00 0.00 0.00 60.65 58.83 2jop s ILE 106 Cb -0.00 -2.19 0.03 0.00 0.01 0.00 0.00 42.46 40.30 2jop s ILE 106 CO -0.04 -0.37 1.01 0.00 0.00 0.00 0.00 174.94 175.54 2jop n TYR 108 N -2.85 0.00 -0.15 0.00 4.01 -1.26 0.40 117.16 117.30 2jop n TYR 108 Ca 0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.80 2jop n TYR 108 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 2jop n TYR 108 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2jop n GLY 109 N 1.93 0.99 3.50 2.72 0.00 -1.22 -4.31 105.19 108.80 2jop n GLY 109 Ca 0.00 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.26 2jop n GLY 109 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2jop s GLN 110 N 0.00 2.22 0.18 1.61 1.11 -1.26 -4.19 119.66 119.33 2jop s GLN 110 Ca 0.00 -0.91 -0.32 0.00 0.01 0.00 0.00 55.36 54.15 2jop s GLN 110 Cb 0.00 -2.29 -0.11 0.00 -1.01 0.00 0.00 33.01 29.60 2jop s GLN 110 CO 0.00 0.56 1.72 -1.17 0.01 0.00 0.00 175.29 176.41 2jop s LEU 111 N -1.47 4.38 0.00 2.90 2.96 -1.26 -2.32 118.68 123.86 2jop s LEU 111 Ca 0.16 2.81 0.00 0.00 -0.22 0.00 0.00 54.13 56.88 2jop s LEU 111 Cb -0.11 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.99 2jop s LEU 111 CO 0.06 -0.96 0.00 0.61 -1.32 0.00 0.00 176.35 174.74 2jop n GLY 112 N 4.00 2.41 3.43 7.98 0.00 -1.26 -5.00 105.19 116.75 2jop n GLY 112 Ca 0.16 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2jop n GLY 112 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jop s SER 113 N -1.26 7.10 -0.03 1.61 0.15 -0.98 -3.75 113.70 116.55 2jop s SER 113 Ca 0.00 -3.07 -0.01 0.00 0.70 0.00 0.00 55.95 53.56 2jop s SER 113 Cb 0.00 -2.35 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 2jop s SER 113 CO 0.00 -0.65 2.37 0.49 1.20 0.00 0.00 173.24 176.64 2jop n PHE 114 N 4.98 0.13 0.08 3.44 3.01 0.70 -4.10 117.46 125.71 2jop n PHE 114 Ca 0.32 -1.19 0.09 0.00 1.01 0.00 0.00 57.45 57.69 2jop n PHE 114 Cb 0.42 -0.78 -0.03 0.00 -0.01 0.00 0.00 39.48 39.08 2jop n PHE 114 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 2jop n SER 115 N 1.63 0.78 -3.55 4.37 3.41 -1.26 -4.65 113.62 114.35 2jop n SER 115 Ca 0.12 0.31 -0.14 0.00 -0.26 0.00 0.00 58.87 58.90 2jop n SER 115 Cb 0.60 0.52 -0.06 0.00 -0.26 0.00 0.00 64.21 65.01 2jop n SER 115 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2jop s ASN 116 N -5.37 -0.53 0.13 4.04 3.84 -1.26 -5.03 114.94 110.76 2jop s ASN 116 Ca -0.02 0.61 0.02 0.00 0.21 0.00 0.00 52.86 53.69 2jop s ASN 116 Cb 0.10 0.48 -0.01 0.00 -0.55 0.00 0.00 41.25 41.27 2jop s ASN 116 CO 0.80 -0.47 0.13 0.00 -2.79 0.00 0.00 177.10 174.77 2jop s SER 118 N -1.90 0.10 0.57 0.00 0.15 -1.18 -4.94 113.70 106.50 2jop s SER 118 Ca 0.15 -1.11 -0.09 0.00 0.70 0.00 0.00 55.95 55.59 2jop s SER 118 Cb 0.01 0.42 -0.04 0.00 -1.71 0.00 0.00 66.02 64.70 2jop s SER 118 CO 0.11 -0.90 0.95 -1.00 1.20 0.00 0.00 173.24 173.60 2jop s HIS 119 N -4.06 3.60 -0.26 3.44 3.76 -1.26 -0.03 115.29 120.49 2jop s HIS 119 Ca 0.27 1.15 -0.29 0.00 -0.15 0.00 0.00 55.06 56.04 2jop s HIS 119 Cb 0.04 -2.60 -0.02 0.00 1.11 0.00 0.00 32.58 31.12 2jop s HIS 119 CO 0.06 -0.55 1.61 -1.12 -0.85 0.00 0.00 174.74 173.89 2jop s SER 120 N -4.10 6.32 -0.00 1.40 0.01 -1.16 -4.09 113.70 112.09 2jop s SER 120 Ca 0.53 1.49 -0.01 0.00 1.31 0.00 0.00 55.95 59.27 2jop s SER 120 Cb -0.11 -2.53 -0.00 0.00 0.21 0.00 0.00 66.02 63.59 2jop s SER 120 CO 0.50 -1.32 -0.01 0.54 0.41 0.00 0.00 173.24 173.36 2jop n ARG 121 N 7.78 0.02 -3.15 12.44 5.12 -1.26 -4.44 116.66 133.17 2jop n ARG 121 Ca 0.19 0.01 0.05 0.00 -1.93 0.00 0.00 57.85 56.17 2jop n ARG 121 Cb 0.46 -0.27 0.00 0.00 -1.16 0.00 0.00 32.46 31.49 2jop n ARG 121 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 2jop s ASN 122 N -4.67 -0.72 0.00 0.55 3.04 -1.26 -5.03 114.94 106.86 2jop s ASN 122 Ca -0.01 0.08 0.00 0.00 0.04 0.00 0.00 52.86 52.97 2jop s ASN 122 Cb 0.00 1.44 0.00 0.00 -1.54 0.00 0.00 41.25 41.15 2jop s ASN 122 CO 0.01 -0.13 0.00 0.47 -3.04 0.00 0.00 177.10 174.41 2jop n ASP 123 N 5.16 0.12 -0.48 -4.21 9.92 -1.26 -5.02 116.55 120.79 2jop n ASP 123 Ca 0.08 0.00 0.14 0.00 -0.53 0.00 0.00 54.79 54.48 2jop n ASP 123 Cb 0.57 0.00 0.52 0.00 -0.64 0.00 0.00 41.12 41.57 2jop n ASP 123 CO 0.00 0.00 0.00 0.23 0.13 0.00 0.00 177.20 177.56 2jop n MET 124 N 0.00 1.64 -3.33 -1.24 2.81 -1.26 -4.67 117.12 111.08 2jop n MET 124 Ca 0.00 -0.96 -0.46 0.00 -1.81 0.00 0.00 57.70 54.48 2jop n MET 124 Cb 0.00 -1.48 -0.06 0.00 -0.71 0.00 0.00 33.22 30.97 2jop n MET 124 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2jop n HIS 126 N 5.24 2.88 -3.48 0.00 -0.00 -1.26 -4.56 115.22 114.04 2jop n HIS 126 Ca -0.14 -2.80 -0.23 0.00 0.46 0.00 0.00 57.72 55.02 2jop n HIS 126 Cb 0.41 -1.95 0.05 0.00 -0.12 0.00 0.00 29.99 28.38 2jop n HIS 126 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2jop n SER 127 N 3.61 -5.99 -4.75 0.26 7.64 -1.26 -4.50 113.62 108.64 2jop n SER 127 Ca 0.43 -0.85 -0.41 0.00 1.01 0.00 0.00 58.87 59.06 2jop n SER 127 Cb 0.35 -4.17 -0.03 0.00 -1.01 0.00 0.00 64.21 59.35 2jop n SER 127 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jop s LEU 128 N -5.88 4.43 0.03 -3.43 1.43 -1.25 -1.78 118.68 112.23 2jop s LEU 128 Ca 0.44 2.46 0.07 0.00 -1.03 0.00 0.00 54.13 56.07 2jop s LEU 128 Cb -0.11 -3.62 -0.02 0.00 0.03 0.00 0.00 46.19 42.46 2jop s LEU 128 CO 0.81 -0.50 -0.21 -0.83 0.23 0.00 0.00 176.35 175.84 2jop s GLY 129 N 0.07 1.14 0.05 -3.19 0.00 0.79 -4.21 107.32 101.98 2jop s GLY 129 Ca 0.54 -1.06 0.02 0.00 0.00 0.00 0.00 44.72 44.22 2jop s GLY 129 CO 0.42 -0.97 0.08 1.08 0.00 0.00 0.00 173.10 173.70 2jop s LEU 130 N -1.08 3.81 -0.24 0.66 1.43 -1.01 -1.30 118.68 120.94 2jop s LEU 130 Ca 0.08 0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.19 2jop s LEU 130 Cb -0.09 -2.41 0.11 0.00 0.03 0.00 0.00 46.19 43.83 2jop s LEU 130 CO 0.01 0.20 0.24 0.28 0.23 0.00 0.00 176.35 177.32 2jop s THR 131 N -1.32 -0.33 -0.51 5.49 -1.32 0.44 -1.76 115.64 116.32 2jop s THR 131 Ca 0.27 -0.30 -0.37 0.00 -1.21 0.00 0.00 61.69 60.08 2jop s THR 131 Cb -0.12 -0.81 -0.16 0.00 -1.51 0.00 0.00 72.50 69.90 2jop s THR 131 CO 0.19 -0.34 2.26 0.00 -2.21 0.00 0.00 174.62 174.52 2jop n LEU 133 N 9.39 0.00 0.00 0.00 7.94 0.21 -4.61 117.00 129.94 2jop n LEU 133 Ca 0.50 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 2jop n LEU 133 Cb 0.11 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2jop n LEU 133 CO 0.83 0.00 0.17 -1.84 -1.11 0.00 0.00 177.39 175.44