#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 4.52 0.04 0.55 1.02 -1.26 -4.94 118.68 118.61 2jop s LEU 26 Ca 0.00 1.36 0.01 0.00 0.02 0.00 0.00 54.13 55.52 2jop s LEU 26 Cb 0.00 -3.03 -0.03 0.00 0.02 0.00 0.00 46.19 43.15 2jop s LEU 26 CO 0.00 0.21 -0.05 -0.94 0.02 0.00 0.00 176.35 175.60 2jop s SER 27 N -0.91 0.59 0.15 2.29 1.04 -1.25 -0.25 113.70 115.36 2jop s SER 27 Ca 0.32 -0.71 0.18 0.00 0.48 0.00 0.00 55.95 56.22 2jop s SER 27 Cb -0.20 0.11 0.78 0.00 0.10 0.00 0.00 66.02 66.80 2jop s SER 27 CO 0.21 -0.37 1.54 -2.67 0.98 0.00 0.00 173.24 172.93 2jop n TRP 28 N 0.97 0.44 0.09 5.02 4.27 -1.26 -1.88 117.44 125.09 2jop n TRP 28 Ca -0.20 0.19 0.11 0.00 -3.89 0.00 0.00 57.50 53.71 2jop n TRP 28 Cb 0.57 -0.80 0.24 0.00 -1.36 0.00 0.00 31.31 29.96 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 -1.91 0.62 -2.46 -2.67 0.18 -1.26 -4.67 117.16 104.99 2jop n TYR 29 Ca 0.02 -0.33 -0.41 0.00 1.88 0.00 0.00 57.90 59.06 2jop n TYR 29 Cb 0.16 -0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.08 2jop n TYR 29 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2jop s ASP 30 N -1.30 7.20 0.36 9.48 1.01 -0.79 -4.95 116.67 127.68 2jop s ASP 30 Ca 0.40 2.17 0.04 0.00 0.71 0.00 0.00 52.55 55.87 2jop s ASP 30 Cb 0.23 -2.61 0.69 0.00 1.01 0.00 0.00 42.92 42.24 2jop s ASP 30 CO 0.31 -0.27 1.98 -0.65 0.21 0.00 0.00 175.17 176.75 2jop h PRO 31 N 4.99 0.65 -0.01 8.23 0.11 -1.91 -1.80 132.00 142.27 2jop h PRO 31 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2jop h PRO 31 Cb 1.21 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2jop h PRO 31 CO 0.72 0.50 -0.01 -0.40 -0.21 0.00 0.00 178.00 178.60 2jop n ASP 32 N -4.40 1.26 -4.67 -2.05 5.75 -1.26 -4.81 116.55 106.36 2jop n ASP 32 Ca 0.04 -1.38 -0.39 0.00 -0.01 0.00 0.00 54.79 53.04 2jop n ASP 32 Cb 0.11 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.14 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 -2.03 3.40 -0.31 2.11 5.36 -0.68 -5.04 117.98 120.79 2jop s PHE 33 Ca 0.38 0.81 -0.19 0.00 -0.96 0.00 0.00 56.93 56.98 2jop s PHE 33 Cb 0.21 -2.66 -0.01 0.00 -0.34 0.00 0.00 43.02 40.22 2jop s PHE 33 CO 0.35 -0.05 0.56 -1.14 -1.46 0.00 0.00 175.22 173.48 2jop s GLN 34 N 1.45 3.83 -0.01 10.12 0.74 -1.26 -4.82 119.66 129.72 2jop s GLN 34 Ca 0.25 0.13 -0.08 0.00 0.05 0.00 0.00 55.36 55.70 2jop s GLN 34 Cb -0.15 -3.74 0.01 0.00 1.10 0.00 0.00 33.01 30.22 2jop s GLN 34 CO 0.10 -0.56 0.16 0.00 -0.55 0.00 0.00 175.29 174.44 2jop s ALA 35 N 2.48 -0.39 -0.01 1.58 0.00 -1.26 -2.30 121.76 121.85 2jop s ALA 35 Ca 0.22 -0.02 -0.16 0.00 0.00 0.00 0.00 51.96 52.00 2jop s ALA 35 Cb -0.15 0.06 0.05 0.00 0.00 0.00 0.00 23.12 23.08 2jop s ALA 35 CO 0.12 -0.20 0.72 2.89 0.00 0.00 0.00 175.76 179.29 2jop n ARG 36 N 1.59 0.10 -2.97 0.00 0.00 -0.52 -4.83 116.66 110.04 2jop n ARG 36 Ca -0.22 -0.43 -0.30 0.00 -0.00 0.00 0.00 57.85 56.91 2jop n ARG 36 Cb 0.56 0.71 -0.03 0.00 -0.00 0.00 0.00 32.46 33.69 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 3.89 1.16 2.89 1.43 -1.24 0.33 118.68 127.14 2jop s LEU 37 Ca 0.17 1.07 -0.16 0.00 -1.03 0.00 0.00 54.13 54.18 2jop s LEU 37 Cb -0.00 -3.93 0.27 0.00 0.03 0.00 0.00 46.19 42.55 2jop s LEU 37 CO -0.00 -0.34 1.06 0.42 0.23 0.00 0.00 176.35 177.71 2jop s THR 38 N -2.28 1.79 -1.09 5.49 -4.23 0.73 -4.68 115.64 111.37 2jop s THR 38 Ca 0.50 0.00 -0.23 0.00 -1.18 0.00 0.00 61.69 60.78 2jop s THR 38 Cb -0.10 -2.32 -0.05 0.00 1.34 0.00 0.00 72.50 71.37 2jop s THR 38 CO 0.30 0.00 1.88 -0.60 -0.54 0.00 0.00 174.62 175.66 2jop s ARG 39 N -4.96 2.77 0.00 3.99 3.52 -1.26 -4.44 118.95 118.56 2jop s ARG 39 Ca 0.68 -0.97 0.00 0.00 -0.13 0.00 0.00 55.73 55.31 2jop s ARG 39 Cb -0.17 -5.23 0.00 0.00 -1.56 0.00 0.00 34.95 27.99 2jop s ARG 39 CO 0.59 -3.46 0.00 -1.13 -0.81 0.00 0.00 175.30 170.49 2jop n SER 40 N 13.16 0.00 0.00 -2.12 3.41 -1.26 -5.03 113.62 121.78 2jop n SER 40 Ca 0.43 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.04 2jop n SER 40 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 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 -2.21 0.61 -3.70 4.04 5.03 -1.26 -5.12 115.26 112.66 2jop n ASN 41 Ca 0.00 0.00 -0.14 0.00 0.87 0.00 0.00 54.58 55.31 2jop n ASN 41 Cb 0.00 0.03 -0.08 0.00 -1.02 0.00 0.00 39.78 38.71 2jop n ASN 41 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 2jop s SER 42 N -2.19 -0.37 0.58 6.41 0.15 -0.68 -4.95 113.70 112.65 2jop s SER 42 Ca 0.00 0.43 0.38 0.00 0.70 0.00 0.00 55.95 57.46 2jop s SER 42 Cb 0.00 0.52 1.83 0.00 -1.71 0.00 0.00 66.02 66.66 2jop s SER 42 CO 0.00 -0.41 2.14 0.07 1.20 0.00 0.00 173.24 176.23 2jop h LYS 43 N 4.05 0.00 -0.22 5.44 2.10 -1.83 -2.53 116.57 123.58 2jop h LYS 43 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 2jop h LYS 43 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2jop h LYS 43 CO 0.35 0.00 0.00 0.00 -2.00 0.00 0.00 179.45 177.80 2jop s GLN 45 N -1.36 0.48 0.00 0.00 0.74 -0.95 -0.35 119.66 118.22 2jop s GLN 45 Ca 0.20 1.20 0.00 0.00 0.05 0.00 0.00 55.36 56.81 2jop s GLN 45 Cb 0.13 0.49 0.00 0.00 1.10 0.00 0.00 33.01 34.72 2jop s GLN 45 CO 0.10 -0.21 0.00 0.41 -0.55 0.00 0.00 175.29 175.04 2jop n GLY 46 N 5.15 -2.65 3.82 2.59 0.00 -0.56 -1.69 105.19 111.85 2jop n GLY 46 Ca -0.13 -1.28 -0.31 0.00 0.00 0.00 0.00 46.02 44.30 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 -1.99 2.94 -0.12 1.61 -1.52 -1.26 -2.02 119.66 117.31 2jop s GLN 47 Ca 0.00 0.97 -0.30 0.00 -1.95 0.00 0.00 55.36 54.09 2jop s GLN 47 Cb 0.00 -1.99 -0.01 0.00 -0.22 0.00 0.00 33.01 30.79 2jop s GLN 47 CO 0.00 -1.10 1.07 -1.17 -0.25 0.00 0.00 175.29 173.84 2jop s LEU 48 N -5.51 4.23 -0.30 2.90 2.96 -1.25 -0.19 118.68 121.52 2jop s LEU 48 Ca 0.58 1.58 -0.03 0.00 -0.22 0.00 0.00 54.13 56.05 2jop s LEU 48 Cb -0.14 -3.55 0.04 0.00 0.50 0.00 0.00 46.19 43.04 2jop s LEU 48 CO 0.54 -0.53 0.02 -0.70 -1.32 0.00 0.00 176.35 174.36 2jop s GLU 49 N 2.32 2.55 -0.03 1.98 2.12 0.15 -0.35 118.70 127.45 2jop s GLU 49 Ca 0.50 -1.19 0.04 0.00 0.36 0.00 0.00 54.97 54.68 2jop s GLU 49 Cb -0.19 -3.23 -0.00 0.00 0.26 0.00 0.00 34.13 30.96 2jop s GLU 49 CO 0.17 -0.60 -0.15 0.14 -0.54 0.00 0.00 175.26 174.29 2jop s VAL 50 N 1.31 1.22 -0.45 3.70 -7.23 -0.91 -1.43 120.40 116.60 2jop s VAL 50 Ca -0.03 -0.62 -0.22 0.00 -1.81 0.00 0.00 61.98 59.30 2jop s VAL 50 Cb -0.19 -1.04 0.03 0.00 0.56 0.00 0.00 36.38 35.73 2jop s VAL 50 CO -0.00 0.35 0.70 -0.47 -0.31 0.00 0.00 175.10 175.37 2jop s TYR 51 N -0.06 3.03 -0.06 2.82 5.04 -0.97 -0.08 117.35 127.07 2jop s TYR 51 Ca -0.00 -0.01 -0.27 0.00 -2.44 0.00 0.00 57.07 54.35 2jop s TYR 51 Cb -0.09 -3.48 0.06 0.00 0.35 0.00 0.00 41.96 38.80 2jop s TYR 51 CO 0.01 -0.93 0.59 -0.48 -1.34 0.00 0.00 175.55 173.40 2jop s LEU 52 N 3.00 -0.28 0.00 6.97 -0.00 -0.68 -4.67 118.68 123.02 2jop s LEU 52 Ca 0.25 0.61 0.00 0.00 -0.00 0.00 0.00 54.13 54.99 2jop s LEU 52 Cb -0.14 2.21 0.00 0.00 -0.00 0.00 0.00 46.19 48.27 2jop s LEU 52 CO 0.20 -0.54 0.00 1.17 -0.00 0.00 0.00 176.35 177.18 2jop n LYS 53 N 1.13 0.00 0.00 1.48 4.81 -1.26 -1.61 118.16 122.71 2jop n LYS 53 Ca -0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 2jop n LYS 53 Cb 0.57 -0.22 0.00 0.00 0.02 0.00 0.00 35.03 35.39 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 1.02 0.00 -4.34 3.14 5.75 -1.26 -5.16 116.55 115.71 2jop n ASP 54 Ca 0.00 0.00 -0.30 0.00 -0.01 0.00 0.00 54.79 54.48 2jop n ASP 54 Cb 0.00 0.00 -0.15 0.00 -1.03 0.00 0.00 41.12 39.94 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 1.39 -1.11 6.12 0.00 -0.63 -5.00 107.32 108.08 2jop s GLY 55 Ca 0.00 -1.26 -0.23 0.00 0.00 0.00 0.00 44.72 43.23 2jop s GLY 55 CO 0.00 -1.14 1.95 0.79 0.00 0.00 0.00 173.10 174.70 2jop n TRP 56 N 1.80 2.36 -2.58 1.90 7.02 -1.26 -1.68 117.44 124.99 2jop n TRP 56 Ca -0.17 -1.31 -0.43 0.00 -1.02 0.00 0.00 57.50 54.57 2jop n TRP 56 Cb 0.52 -2.50 -0.02 0.00 -2.42 0.00 0.00 31.31 26.89 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 11.21 2.83 -0.71 -5.99 3.76 0.88 -4.76 115.29 122.51 2jop s HIS 57 Ca 0.69 0.79 -0.27 0.00 -0.15 0.00 0.00 55.06 56.13 2jop s HIS 57 Cb 0.01 -4.30 0.01 0.00 1.11 0.00 0.00 32.58 29.41 2jop s HIS 57 CO 0.15 -1.26 1.49 -1.64 -0.85 0.00 0.00 174.74 172.63 2jop s MET 58 N 4.36 3.00 0.74 1.40 -1.94 -1.26 -2.14 119.30 123.47 2jop s MET 58 Ca 0.49 0.01 -0.06 0.00 -1.71 0.00 0.00 55.69 54.42 2jop s MET 58 Cb -0.09 -4.31 0.10 0.00 2.01 0.00 0.00 34.83 32.55 2jop s MET 58 CO 0.29 -2.37 1.05 0.14 -0.01 0.00 0.00 175.02 174.12 2jop s VAL 59 N 6.90 2.22 -0.27 -6.03 -7.23 0.52 -0.35 120.40 116.17 2jop s VAL 59 Ca 0.47 -0.34 0.12 0.00 -1.81 0.00 0.00 61.98 60.42 2jop s VAL 59 Cb -0.09 -2.88 0.77 0.00 0.56 0.00 0.00 36.38 34.74 2jop s VAL 59 CO 0.16 0.00 1.76 0.00 -0.31 0.00 0.00 175.10 176.70 2jop n SER 61 N 0.19 0.00 -0.60 0.00 7.64 -1.26 -3.89 113.62 115.69 2jop n SER 61 Ca 0.33 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.27 2jop n SER 61 Cb 1.27 0.00 0.16 0.00 -1.01 0.00 0.00 64.21 64.63 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 1.76 -0.57 1.43 -0.00 -1.26 -4.92 117.38 113.82 2jop n GLN 62 Ca 0.00 -1.18 -0.30 0.00 -0.00 0.00 0.00 57.00 55.52 2jop n GLN 62 Cb 0.00 -1.26 0.22 0.00 -0.00 0.00 0.00 30.24 29.19 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 0.45 -1.56 0.00 2.61 7.64 -1.26 -0.72 113.62 120.78 2jop n SER 63 Ca 0.11 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.97 2jop n SER 63 Cb 0.28 -1.23 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 -4.67 0.00 0.42 1.43 8.01 0.12 -4.15 117.44 118.59 2jop n TRP 64 Ca 0.04 0.00 -0.16 0.00 -1.31 0.00 0.00 57.50 56.07 2jop n TRP 64 Cb 0.55 0.00 -0.08 0.00 -2.01 0.00 0.00 31.31 29.77 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 -1.12 0.00 6.99 0.00 -1.71 -3.22 103.07 104.00 2jop h GLY 65 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2jop h GLY 65 CO 0.00 -0.41 0.00 0.54 0.00 0.00 0.00 176.54 176.67 2jop n ARG 66 N -5.30 0.00 -0.09 4.80 1.74 0.10 -4.77 116.66 113.14 2jop n ARG 66 Ca -0.13 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 56.96 2jop n ARG 66 Cb 0.42 -2.67 0.04 0.00 -1.02 0.00 0.00 32.46 29.24 2jop n ARG 66 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2jop n SER 67 N 0.00 1.32 -3.66 0.55 3.41 -1.26 -4.69 113.62 109.29 2jop n SER 67 Ca 0.00 -2.08 -0.10 0.00 -0.26 0.00 0.00 58.87 56.43 2jop n SER 67 Cb 0.00 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 2jop n SER 67 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jop s SER 68 N -0.24 -0.77 -0.26 4.04 0.15 -1.26 -5.13 113.70 110.24 2jop s SER 68 Ca 0.06 1.30 -0.02 0.00 0.70 0.00 0.00 55.95 57.98 2jop s SER 68 Cb 0.04 1.21 0.02 0.00 -1.71 0.00 0.00 66.02 65.59 2jop s SER 68 CO 0.02 -0.22 -0.04 -0.54 1.20 0.00 0.00 173.24 173.66 2jop s LYS 69 N 1.22 2.87 -0.16 5.44 1.02 -1.26 -4.78 119.74 124.08 2jop s LYS 69 Ca -0.07 -0.96 -0.03 0.00 0.02 0.00 0.00 55.97 54.92 2jop s LYS 69 Cb -0.06 -3.04 0.01 0.00 -0.52 0.00 0.00 37.83 34.22 2jop s LYS 69 CO -0.12 -0.41 0.06 0.94 -0.92 0.00 0.00 175.35 174.90 2jop n GLN 70 N 4.69 -2.42 -2.86 1.68 7.27 -1.26 -4.99 117.38 119.50 2jop n GLN 70 Ca -0.16 2.07 -0.39 0.00 0.07 0.00 0.00 57.00 58.59 2jop n GLN 70 Cb 0.47 -3.61 -0.06 0.00 2.41 0.00 0.00 30.24 29.45 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 -0.76 3.91 -0.31 3.69 0.52 -1.26 -4.95 118.94 119.79 2jop s TRP 71 Ca -0.07 1.77 0.20 0.00 0.02 0.00 0.00 56.10 58.02 2jop s TRP 71 Cb 0.00 -2.88 0.19 0.00 -1.15 0.00 0.00 33.47 29.64 2jop s TRP 71 CO 0.48 0.44 1.48 1.05 0.02 0.00 0.00 176.95 180.43 2jop h GLU 72 N 4.06 0.00 -4.28 4.98 4.11 -1.94 -3.42 114.58 118.09 2jop h GLU 72 Ca -0.46 0.00 -0.63 0.00 0.07 0.00 0.00 59.36 58.34 2jop h GLU 72 Cb 1.20 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 30.05 2jop h GLU 72 CO 0.67 0.21 -0.74 0.34 0.07 0.00 0.00 179.01 179.56 2jop s ASP 73 N -6.24 4.45 -0.51 3.06 2.15 -1.26 -5.00 116.67 113.31 2jop s ASP 73 Ca 0.05 -1.90 -0.00 0.00 0.43 0.00 0.00 52.55 51.13 2jop s ASP 73 Cb 0.06 -1.33 0.42 0.00 -0.30 0.00 0.00 42.92 41.77 2jop s ASP 73 CO 0.71 -0.38 1.96 -0.81 -0.17 0.00 0.00 175.17 176.49 2jop n PRO 74 N 4.49 2.31 0.00 4.34 -0.04 -1.26 -4.95 135.00 139.89 2jop n PRO 74 Ca 0.01 -2.68 0.00 0.00 -0.04 0.00 0.00 63.50 60.78 2jop n PRO 74 Cb 0.42 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 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 -0.61 0.00 0.00 3.54 3.41 -1.26 -4.57 113.62 114.13 2jop n SER 75 Ca 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 2jop n SER 75 Cb 0.85 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.80 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 0.00 0.00 -0.33 4.33 1.13 -1.26 -4.54 117.38 116.71 2jop n GLN 76 Ca 0.00 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.05 2jop n GLN 76 Cb 0.00 -0.00 0.11 0.00 0.11 0.00 0.00 30.24 30.45 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 3.15 -0.13 -1.58 0.00 -1.26 -4.22 120.51 116.47 2jop n ALA 77 Ca 0.00 -0.73 -0.06 0.00 0.00 0.00 0.00 53.44 52.65 2jop n ALA 77 Cb 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 19.45 18.40 2jop n ALA 77 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2jop h SER 78 N 0.95 0.31 -0.59 0.00 0.02 -1.88 -0.95 113.55 111.41 2jop h SER 78 Ca 0.07 0.02 0.09 0.00 -0.84 0.00 0.00 61.79 61.13 2jop h SER 78 Cb 1.20 -0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.67 2jop h SER 78 CO 0.23 0.23 0.40 0.50 -1.14 0.00 0.00 176.83 177.04 2jop h LYS 79 N 0.43 0.44 0.76 3.45 3.11 -1.92 -0.63 116.57 122.20 2jop h LYS 79 Ca 0.18 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.96 2jop h LYS 79 Cb 0.08 -0.10 0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2jop h LYS 79 CO -0.12 0.29 -0.37 0.28 -2.81 0.00 0.00 179.45 176.72 2jop h VAL 80 N 0.45 0.00 -0.02 2.00 2.07 -1.45 0.57 116.25 119.87 2jop h VAL 80 Ca 0.27 -0.15 -0.12 0.00 0.82 0.00 0.00 66.70 67.52 2jop h VAL 80 Cb 0.47 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.22 2jop h VAL 80 CO -0.08 0.00 -0.57 0.00 0.02 0.00 0.00 177.57 176.95 2jop h GLN 82 N 0.04 0.93 -0.65 0.00 4.15 -1.11 0.17 115.11 118.65 2jop h GLN 82 Ca -0.00 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.38 2jop h GLN 82 Cb 1.01 -0.20 -0.04 0.00 0.21 0.00 0.00 27.48 28.47 2jop h GLN 82 CO 0.08 0.66 0.43 -0.09 -1.93 0.00 0.00 178.83 177.98 2jop h ARG 83 N 0.94 0.67 -0.61 1.69 9.65 -0.36 -0.62 114.38 125.74 2jop h ARG 83 Ca 0.25 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 59.09 2jop h ARG 83 Cb -0.03 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 28.40 2jop h ARG 83 CO -0.05 0.45 0.00 1.28 2.80 0.00 0.00 179.97 184.45 2jop n LEU 84 N -4.47 5.34 -2.61 3.80 4.32 -0.61 -4.93 117.00 117.84 2jop n LEU 84 Ca 0.09 -2.71 -0.11 0.00 -0.02 0.00 0.00 56.01 53.25 2jop n LEU 84 Cb 0.20 -0.66 -0.00 0.00 -1.62 0.00 0.00 43.42 41.33 2jop n LEU 84 CO 0.34 0.63 -0.10 -0.46 -1.22 0.00 0.00 177.39 176.57 2jop n ASN 85 N 0.65 -3.19 -1.02 -1.43 0.23 -0.19 -4.81 115.26 105.51 2jop n ASN 85 Ca 0.26 0.16 0.06 0.00 -0.53 0.00 0.00 54.58 54.53 2jop n ASN 85 Cb 1.11 -2.74 0.21 0.00 -2.08 0.00 0.00 39.78 36.28 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 0.82 0.66 3.86 0.00 0.00 -1.25 -4.35 105.19 104.93 2jop n GLY 87 Ca 0.15 -1.16 -0.29 0.00 0.00 0.00 0.00 46.02 44.72 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 4.09 0.47 1.61 1.11 -1.26 -3.43 116.67 115.26 2jop s ASP 88 Ca 0.00 0.82 -0.22 0.00 0.18 0.00 0.00 52.55 53.32 2jop s ASP 88 Cb 0.00 -1.31 -0.07 0.00 1.07 0.00 0.00 42.92 42.61 2jop s ASP 88 CO 0.00 -2.17 1.15 -2.16 1.18 0.00 0.00 175.17 173.16 2jop s PRO 89 N -5.49 3.70 -0.37 8.23 0.04 -1.26 -0.60 135.00 139.24 2jop s PRO 89 Ca 0.63 1.71 -0.34 0.00 0.04 0.00 0.00 61.00 63.04 2jop s PRO 89 Cb -0.12 -2.32 -0.15 0.00 0.04 0.00 0.00 34.50 31.95 2jop s PRO 89 CO 0.51 -0.58 1.38 1.47 0.04 0.00 0.00 177.00 179.81 2jop n LEU 90 N -0.64 0.76 -4.80 -3.56 -0.00 -1.24 -0.74 117.00 106.77 2jop n LEU 90 Ca 0.08 0.73 -0.34 0.00 -0.00 0.00 0.00 56.01 56.47 2jop n LEU 90 Cb 0.49 -0.67 -0.04 0.00 -0.00 0.00 0.00 43.42 43.20 2jop n LEU 90 CO 0.46 -0.61 0.72 -0.55 -0.00 0.00 0.00 177.39 177.41 2jop s SER 91 N 3.23 6.47 -0.21 1.45 0.15 0.48 -4.42 113.70 120.85 2jop s SER 91 Ca 0.84 1.94 -0.03 0.00 0.70 0.00 0.00 55.95 59.40 2jop s SER 91 Cb -1.12 -2.56 -0.00 0.00 -1.71 0.00 0.00 66.02 60.62 2jop s SER 91 CO 0.56 -0.69 -0.08 -0.22 1.20 0.00 0.00 173.24 174.02 2jop s LEU 92 N -3.28 2.75 0.17 3.45 2.96 -1.26 -0.50 118.68 122.98 2jop s LEU 92 Ca 0.65 -0.43 -0.08 0.00 -0.22 0.00 0.00 54.13 54.05 2jop s LEU 92 Cb -0.17 -1.68 -0.01 0.00 0.50 0.00 0.00 46.19 44.82 2jop s LEU 92 CO 0.21 -0.01 0.27 -0.83 -1.32 0.00 0.00 176.35 174.67 2jop s GLY 93 N 1.38 0.63 -0.19 7.98 0.00 -0.55 -4.02 107.32 112.55 2jop s GLY 93 Ca 0.05 -1.03 -0.29 0.00 0.00 0.00 0.00 44.72 43.45 2jop s GLY 93 CO -0.05 -0.93 1.85 2.56 0.00 0.00 0.00 173.10 176.54 2jop s PRO 94 N -4.00 3.63 -0.24 2.90 0.04 -1.26 0.01 135.00 136.07 2jop s PRO 94 Ca 0.21 1.88 0.13 0.00 0.04 0.00 0.00 61.00 63.26 2jop s PRO 94 Cb 0.04 -4.16 0.81 0.00 0.04 0.00 0.00 34.50 31.22 2jop s PRO 94 CO 0.02 -1.51 1.74 0.34 0.04 0.00 0.00 177.00 177.63 2jop n PHE 95 N 9.34 2.09 0.00 0.56 7.35 -0.27 -4.83 117.46 131.70 2jop n PHE 95 Ca 0.22 -0.75 0.00 0.00 -0.76 0.00 0.00 57.45 56.17 2jop n PHE 95 Cb 0.45 -0.52 0.00 0.00 0.35 0.00 0.00 39.48 39.75 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 0.57 0.00 -3.46 -2.13 4.77 -1.24 -4.39 117.00 111.11 2jop n LEU 96 Ca 0.28 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.16 2jop n LEU 96 Cb 1.20 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 42.20 2jop n LEU 96 CO 0.33 0.00 -0.06 -0.75 -1.33 0.00 0.00 177.39 175.58 2jop s LYS 97 N 0.00 0.31 0.14 3.23 2.20 -1.26 -4.24 119.74 120.12 2jop s LYS 97 Ca 0.00 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.25 2jop s LYS 97 Cb 0.00 -0.32 0.00 0.00 -1.51 0.00 0.00 37.83 36.00 2jop s LYS 97 CO 0.00 -0.52 0.00 2.41 -0.36 0.00 0.00 175.35 176.88 2jop n THR 98 N 5.37 0.89 -1.58 3.43 -1.04 -1.26 -5.09 114.28 114.99 2jop n THR 98 Ca -0.05 0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 61.95 2jop n THR 98 Cb 0.50 -1.29 0.21 0.00 -1.82 0.00 0.00 70.33 67.93 2jop n THR 98 CO 0.00 0.00 0.00 -0.72 -0.64 0.00 0.00 175.07 173.71 2jop s TYR 99 N -1.96 1.16 -0.30 -1.42 -0.85 -1.26 -5.05 117.35 107.68 2jop s TYR 99 Ca 0.00 0.40 0.02 0.00 -0.52 0.00 0.00 57.07 56.97 2jop s TYR 99 Cb 0.00 -3.84 0.08 0.00 0.38 0.00 0.00 41.96 38.58 2jop s TYR 99 CO 0.00 -3.14 -0.00 0.99 -1.52 0.00 0.00 175.55 171.87 2jop s THR 100 N -3.52 1.92 -0.75 -3.49 2.01 -1.26 -5.03 115.64 105.52 2jop s THR 100 Ca 0.73 -1.82 -0.23 0.00 0.31 0.00 0.00 61.69 60.68 2jop s THR 100 Cb -0.06 -2.27 -0.21 0.00 0.01 0.00 0.00 72.50 69.96 2jop s THR 100 CO 0.54 -0.37 1.83 -0.81 -0.69 0.00 0.00 174.62 175.12 2jop n PRO 101 N 4.46 0.06 0.00 4.92 -0.04 -1.26 -1.13 135.00 142.01 2jop n PRO 101 Ca -0.04 -1.30 0.00 0.00 -0.04 0.00 0.00 63.50 62.11 2jop n PRO 101 Cb 0.42 -3.23 0.00 0.00 -0.04 0.00 0.00 33.50 30.65 2jop n PRO 101 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2jop n GLN 102 N 7.42 0.00 0.02 0.54 7.27 -1.19 -4.81 117.38 126.63 2jop n GLN 102 Ca 0.34 0.00 -0.19 0.00 0.07 0.00 0.00 57.00 57.22 2jop n GLN 102 Cb 0.46 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.97 2jop n GLN 102 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 2jop h SER 103 N 0.00 0.38 -4.46 1.69 0.02 -1.47 -3.44 113.55 106.26 2jop h SER 103 Ca 0.00 -0.76 -0.48 0.00 -0.84 0.00 0.00 61.79 59.71 2jop h SER 103 Cb 0.00 -0.12 0.09 0.00 0.14 0.00 0.00 62.40 62.51 2jop h SER 103 CO 0.00 1.67 0.39 -0.94 -1.14 0.00 0.00 176.83 176.81 2jop s SER 104 N -6.92 4.94 0.09 3.07 1.04 -0.51 -4.73 113.70 110.68 2jop s SER 104 Ca -0.17 1.07 0.02 0.00 0.48 0.00 0.00 55.95 57.35 2jop s SER 104 Cb 0.07 -1.78 -0.04 0.00 0.10 0.00 0.00 66.02 64.37 2jop s SER 104 CO 0.80 -1.66 -0.07 0.27 0.98 0.00 0.00 173.24 173.56 2jop s ILE 105 N -3.37 0.67 -0.26 -1.02 -5.25 0.52 -0.69 121.20 111.81 2jop s ILE 105 Ca 0.60 -1.83 0.03 0.00 -0.99 0.00 0.00 60.65 58.46 2jop s ILE 105 Cb -0.12 -1.55 0.06 0.00 2.95 0.00 0.00 42.46 43.81 2jop s ILE 105 CO 0.52 -0.81 -0.09 -0.63 -1.79 0.00 0.00 174.94 172.14 2jop s ILE 106 N -3.33 2.08 0.73 8.37 1.01 0.10 -2.87 121.20 127.28 2jop s ILE 106 Ca 0.09 -1.63 -0.09 0.00 0.00 0.00 0.00 60.65 59.02 2jop s ILE 106 Cb 0.03 -2.24 0.06 0.00 0.01 0.00 0.00 42.46 40.33 2jop s ILE 106 CO -0.04 -0.08 1.07 0.00 0.00 0.00 0.00 174.94 175.88 2jop s TYR 108 N -3.35 1.79 0.00 0.00 2.02 -1.24 0.16 117.35 116.73 2jop s TYR 108 Ca 0.60 -1.62 0.00 0.00 -0.37 0.00 0.00 57.07 55.68 2jop s TYR 108 Cb -0.11 -0.80 0.00 0.00 -0.40 0.00 0.00 41.96 40.65 2jop s TYR 108 CO 0.47 -0.79 0.00 0.41 -1.57 0.00 0.00 175.55 174.07 2jop n GLY 109 N -0.70 0.89 3.80 0.71 0.00 -1.22 -4.49 105.19 104.19 2jop n GLY 109 Ca 0.05 -1.60 -0.36 0.00 0.00 0.00 0.00 46.02 44.11 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 3.38 -0.05 1.61 1.11 -1.26 -4.11 119.66 120.33 2jop s GLN 110 Ca 0.00 -0.23 -0.30 0.00 0.01 0.00 0.00 55.36 54.84 2jop s GLN 110 Cb 0.00 -3.09 -0.06 0.00 -1.01 0.00 0.00 33.01 28.85 2jop s GLN 110 CO 0.00 0.70 1.79 -1.17 0.01 0.00 0.00 175.29 176.62 2jop s LEU 111 N -0.83 4.25 0.00 2.90 2.96 -1.26 -1.20 118.68 125.50 2jop s LEU 111 Ca 0.13 2.29 0.00 0.00 -0.22 0.00 0.00 54.13 56.33 2jop s LEU 111 Cb -0.12 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2jop s LEU 111 CO 0.03 -1.08 0.00 0.61 -1.32 0.00 0.00 176.35 174.59 2jop n GLY 112 N 4.44 0.95 3.24 7.98 0.00 -1.26 -5.03 105.19 115.51 2jop n GLY 112 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2jop n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jop s SER 113 N -1.72 6.62 -1.45 1.61 0.01 -0.34 -3.84 113.70 114.60 2jop s SER 113 Ca 0.00 -3.44 -0.09 0.00 1.31 0.00 0.00 55.95 53.73 2jop s SER 113 Cb 0.00 -2.08 0.04 0.00 0.21 0.00 0.00 66.02 64.19 2jop s SER 113 CO 0.00 -0.30 2.46 0.49 0.41 0.00 0.00 173.24 176.30 2jop n PHE 114 N 2.84 2.78 -0.01 2.43 3.01 0.65 -4.27 117.46 124.89 2jop n PHE 114 Ca 0.20 -2.94 0.02 0.00 1.01 0.00 0.00 57.45 55.74 2jop n PHE 114 Cb 0.40 -2.23 -0.05 0.00 -0.01 0.00 0.00 39.48 37.59 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 3.62 3.60 -3.73 4.37 3.41 -1.26 -4.39 113.62 119.25 2jop n SER 115 Ca 0.62 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2jop n SER 115 Cb 0.29 1.13 -0.10 0.00 -0.26 0.00 0.00 64.21 65.27 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 -2.93 -0.45 0.21 4.04 3.84 -1.26 -4.87 114.94 113.51 2jop s ASN 116 Ca -0.02 0.86 0.05 0.00 0.21 0.00 0.00 52.86 53.96 2jop s ASN 116 Cb 0.03 0.87 -0.02 0.00 -0.55 0.00 0.00 41.25 41.59 2jop s ASN 116 CO 0.25 -0.15 0.17 0.00 -2.79 0.00 0.00 177.10 174.58 2jop s SER 118 N -2.46 -0.01 0.23 0.00 0.01 -0.95 -4.92 113.70 105.59 2jop s SER 118 Ca 0.24 -0.36 -0.30 0.00 1.31 0.00 0.00 55.95 56.84 2jop s SER 118 Cb 0.01 0.32 -0.10 0.00 0.21 0.00 0.00 66.02 66.46 2jop s SER 118 CO 0.17 -0.61 1.48 -1.00 0.41 0.00 0.00 173.24 173.69 2jop s HIS 119 N -2.82 3.02 -0.01 2.43 3.76 -1.26 0.02 115.29 120.43 2jop s HIS 119 Ca -0.03 0.90 -0.30 0.00 -0.15 0.00 0.00 55.06 55.48 2jop s HIS 119 Cb 0.00 -3.86 -0.07 0.00 1.11 0.00 0.00 32.58 29.76 2jop s HIS 119 CO -0.05 -2.91 1.79 0.45 -0.85 0.00 0.00 174.74 173.16 2jop s SER 120 N 0.60 6.57 0.00 1.40 0.15 0.13 -4.55 113.70 118.00 2jop s SER 120 Ca 0.63 2.43 0.00 0.00 0.70 0.00 0.00 55.95 59.71 2jop s SER 120 Cb -0.43 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.35 2jop s SER 120 CO 0.40 -0.98 0.00 0.54 1.20 0.00 0.00 173.24 174.40 2jop n ARG 121 N 7.22 0.00 -3.05 5.44 5.12 -1.26 -3.20 116.66 126.92 2jop n ARG 121 Ca 0.18 0.00 0.04 0.00 -1.93 0.00 0.00 57.85 56.14 2jop n ARG 121 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 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 0.54 -0.59 0.00 0.55 3.04 -1.26 -4.89 114.94 112.33 2jop s ASN 122 Ca 0.00 -0.05 0.00 0.00 0.04 0.00 0.00 52.86 52.85 2jop s ASN 122 Cb 0.00 1.16 0.00 0.00 -1.54 0.00 0.00 41.25 40.87 2jop s ASN 122 CO 0.00 -0.09 0.00 -0.67 -3.04 0.00 0.00 177.10 173.30 2jop n ASP 123 N 4.72 0.00 0.00 -4.21 -0.08 -1.26 -4.97 116.55 110.75 2jop n ASP 123 Ca 0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.36 2jop n ASP 123 Cb 0.59 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.05 2jop n ASP 123 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55 2jop n MET 124 N -0.73 2.49 -2.54 -0.67 2.81 -1.26 -5.05 117.12 112.17 2jop n MET 124 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 2jop n MET 124 Cb 0.00 -0.79 -0.02 0.00 -0.71 0.00 0.00 33.22 31.70 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 5.84 3.18 -3.38 0.00 -0.00 -1.26 -4.84 115.22 114.75 2jop n HIS 126 Ca 0.12 -3.09 -0.15 0.00 0.46 0.00 0.00 57.72 55.06 2jop n HIS 126 Cb 0.46 -0.95 0.00 0.00 -0.12 0.00 0.00 29.99 29.39 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 0.02 -6.40 -4.68 0.26 7.64 -1.26 -3.98 113.62 105.23 2jop n SER 127 Ca 0.40 -0.38 -0.42 0.00 1.01 0.00 0.00 58.87 59.47 2jop n SER 127 Cb 0.31 -3.49 -0.03 0.00 -1.01 0.00 0.00 64.21 60.00 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 -4.10 4.25 -0.20 -3.43 1.43 -1.25 -1.11 118.68 114.27 2jop s LEU 128 Ca 0.06 1.79 -0.07 0.00 -1.03 0.00 0.00 54.13 54.88 2jop s LEU 128 Cb -0.01 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2jop s LEU 128 CO 0.82 -0.65 0.06 -0.83 0.23 0.00 0.00 176.35 175.98 2jop s GLY 129 N 1.67 1.86 -0.13 -3.19 0.00 0.10 -4.43 107.32 103.19 2jop s GLY 129 Ca 0.56 -0.85 -0.11 0.00 0.00 0.00 0.00 44.72 44.32 2jop s GLY 129 CO 0.20 0.17 0.23 1.08 0.00 0.00 0.00 173.10 174.78 2jop s LEU 130 N 0.70 4.31 -0.20 0.66 1.43 -0.85 -1.48 118.68 123.24 2jop s LEU 130 Ca 0.03 0.51 -0.04 0.00 -1.03 0.00 0.00 54.13 53.60 2jop s LEU 130 Cb -0.13 -2.26 0.07 0.00 0.03 0.00 0.00 46.19 43.89 2jop s LEU 130 CO 0.02 0.23 0.08 0.28 0.23 0.00 0.00 176.35 177.19 2jop s THR 131 N -0.19 0.18 -0.53 5.49 -1.32 0.35 -1.49 115.64 118.12 2jop s THR 131 Ca 0.15 -0.43 -0.35 0.00 -1.21 0.00 0.00 61.69 59.86 2jop s THR 131 Cb -0.13 -0.83 -0.14 0.00 -1.51 0.00 0.00 72.50 69.88 2jop s THR 131 CO 0.04 -0.32 2.32 0.00 -2.21 0.00 0.00 174.62 174.45 2jop n LEU 133 N 10.46 0.00 0.00 0.00 7.94 0.23 -4.61 117.00 131.02 2jop n LEU 133 Ca 0.48 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.38 2jop n LEU 133 Cb 0.19 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.14 2jop n LEU 133 CO 0.81 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.25