#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jop n LEU 26 N 0.00 -0.41 -3.79 2.89 4.77 -1.26 -4.67 117.00 114.53 2jop n LEU 26 Ca 0.00 -1.22 -0.13 0.00 -0.03 0.00 0.00 56.01 54.63 2jop n LEU 26 Cb 0.00 -0.98 -0.09 0.00 -2.33 0.00 0.00 43.42 40.01 2jop n LEU 26 CO 0.00 -2.07 -0.05 -0.94 -1.33 0.00 0.00 177.39 173.00 2jop s SER 27 N 3.83 -0.15 -0.03 -1.43 1.04 -1.26 -1.13 113.70 114.58 2jop s SER 27 Ca 0.88 0.10 0.01 0.00 0.48 0.00 0.00 55.95 57.41 2jop s SER 27 Cb -0.39 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.14 2jop s SER 27 CO 0.28 -0.36 0.79 -2.67 0.98 0.00 0.00 173.24 172.26 2jop n TRP 28 N 1.66 0.22 -1.35 5.02 4.27 -1.26 -1.85 117.44 124.15 2jop n TRP 28 Ca -0.20 -0.27 0.01 0.00 -3.89 0.00 0.00 57.50 53.15 2jop n TRP 28 Cb 0.56 -0.20 0.02 0.00 -1.36 0.00 0.00 31.31 30.33 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 0.17 0.00 -3.47 -2.67 0.18 -1.26 -4.26 117.16 105.84 2jop n TYR 29 Ca 0.04 -0.20 -0.37 0.00 1.88 0.00 0.00 57.90 59.25 2jop n TYR 29 Cb 0.44 -0.05 -0.07 0.00 -0.38 0.00 0.00 39.34 39.28 2jop n TYR 29 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2jop s ASP 30 N -0.97 6.47 0.55 9.48 -1.08 -0.77 -4.96 116.67 125.39 2jop s ASP 30 Ca 0.05 0.55 0.30 0.00 -0.52 0.00 0.00 52.55 52.93 2jop s ASP 30 Cb 0.04 -2.21 1.59 0.00 -1.46 0.00 0.00 42.92 40.88 2jop s ASP 30 CO 0.00 0.05 2.12 1.55 0.52 0.00 0.00 175.17 179.41 2jop h PRO 31 N 6.85 0.00 0.00 4.34 0.13 -1.94 -2.06 132.00 139.32 2jop h PRO 31 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2jop h PRO 31 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2jop h PRO 31 CO 0.75 0.08 -1.12 -3.47 -0.23 0.00 0.00 178.00 174.01 2jop n ASP 32 N -3.58 0.63 -4.77 1.44 2.03 -1.26 -4.90 116.55 106.15 2jop n ASP 32 Ca -0.02 0.09 -0.37 0.00 0.52 0.00 0.00 54.79 55.01 2jop n ASP 32 Cb 0.21 0.76 -0.02 0.00 -0.72 0.00 0.00 41.12 41.34 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2jop s PHE 33 N -3.31 3.05 -0.27 -0.67 5.36 -0.77 -5.02 117.98 116.34 2jop s PHE 33 Ca 0.00 1.57 -0.06 0.00 -0.96 0.00 0.00 56.93 57.49 2jop s PHE 33 Cb 0.12 -3.31 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 2jop s PHE 33 CO 0.80 -1.19 0.04 -1.14 -1.46 0.00 0.00 175.22 172.27 2jop s GLN 34 N -2.51 3.18 0.12 10.12 2.00 -1.26 -4.90 119.66 126.41 2jop s GLN 34 Ca 0.60 -0.78 0.02 0.00 -2.00 0.00 0.00 55.36 53.19 2jop s GLN 34 Cb -0.27 -3.24 -0.04 0.00 0.80 0.00 0.00 33.01 30.25 2jop s GLN 34 CO 0.34 -0.36 -0.05 0.00 -0.50 0.00 0.00 175.29 174.72 2jop s ALA 35 N 1.48 1.09 -0.01 1.58 0.00 -1.26 -1.30 121.76 123.34 2jop s ALA 35 Ca 0.03 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.43 2jop s ALA 35 Cb -0.16 0.26 0.05 0.00 0.00 0.00 0.00 23.12 23.26 2jop s ALA 35 CO 0.00 -0.25 0.67 2.89 0.00 0.00 0.00 175.76 179.08 2jop n ARG 36 N -0.10 0.10 -3.32 0.00 1.85 -0.45 -5.00 116.66 109.74 2jop n ARG 36 Ca -0.11 -0.41 -0.20 0.00 -1.00 0.00 0.00 57.85 56.14 2jop n ARG 36 Cb 0.61 0.68 0.00 0.00 -1.05 0.00 0.00 32.46 32.70 2jop n ARG 36 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2jop s LEU 37 N 0.00 3.87 0.61 2.89 1.43 -1.26 -0.06 118.68 126.16 2jop s LEU 37 Ca 0.16 -0.12 -0.10 0.00 -1.03 0.00 0.00 54.13 53.04 2jop s LEU 37 Cb -0.00 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.37 2jop s LEU 37 CO -0.00 -0.53 1.00 0.42 0.23 0.00 0.00 176.35 177.47 2jop s THR 38 N -2.27 4.42 -0.46 5.49 -4.23 -0.29 -4.60 115.64 113.70 2jop s THR 38 Ca 0.47 0.63 -0.27 0.00 -1.18 0.00 0.00 61.69 61.34 2jop s THR 38 Cb -0.10 -3.76 -0.07 0.00 1.34 0.00 0.00 72.50 69.91 2jop s THR 38 CO 0.33 -0.95 2.40 -2.11 -0.54 0.00 0.00 174.62 173.74 2jop n ARG 39 N -2.71 1.15 -0.70 3.99 1.85 -1.26 -4.70 116.66 114.28 2jop n ARG 39 Ca 0.05 0.07 0.05 0.00 -1.00 0.00 0.00 57.85 57.02 2jop n ARG 39 Cb 0.55 -3.37 0.09 0.00 -1.05 0.00 0.00 32.46 28.68 2jop n ARG 39 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2jop n SER 40 N 15.19 1.21 0.00 2.89 7.64 -1.26 -5.01 113.62 134.28 2jop n SER 40 Ca 0.37 -2.70 0.00 0.00 1.01 0.00 0.00 58.87 57.54 2jop n SER 40 Cb 0.52 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2jop n SER 40 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2jop n ASN 41 N -0.46 0.00 -4.67 6.43 4.13 -1.26 -4.87 115.26 114.56 2jop n ASN 41 Ca 0.10 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.93 2jop n ASN 41 Cb 0.81 0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 39.02 2jop n ASN 41 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2jop s SER 42 N 0.00 6.97 0.06 6.41 0.01 -1.26 -4.90 113.70 120.98 2jop s SER 42 Ca 0.00 1.78 0.23 0.00 1.31 0.00 0.00 55.95 59.26 2jop s SER 42 Cb 0.00 -2.55 0.92 0.00 0.21 0.00 0.00 66.02 64.61 2jop s SER 42 CO 0.00 -0.70 1.71 0.29 0.41 0.00 0.00 173.24 174.95 2jop n LYS 43 N 6.01 0.06 -0.06 12.44 4.76 -1.26 -2.45 118.16 137.66 2jop n LYS 43 Ca 0.13 0.17 0.07 0.00 -2.87 0.00 0.00 58.31 55.81 2jop n LYS 43 Cb 0.45 -1.58 0.10 0.00 -1.84 0.00 0.00 35.03 32.16 2jop n LYS 43 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jop s GLN 45 N -2.28 0.38 0.00 0.00 -0.21 -1.03 -0.45 119.66 116.07 2jop s GLN 45 Ca 0.22 0.04 0.00 0.00 0.02 0.00 0.00 55.36 55.65 2jop s GLN 45 Cb 0.20 -0.53 0.00 0.00 1.00 0.00 0.00 33.01 33.68 2jop s GLN 45 CO 0.02 -0.12 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 2jop n GLY 46 N 4.09 4.43 3.87 3.09 0.00 -0.83 -4.48 105.19 115.36 2jop n GLY 46 Ca -0.27 -1.15 -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 -0.86 0.00 0.00 0.00 173.32 172.46 2jop s GLN 47 N -3.46 3.31 0.38 1.61 1.03 -1.23 -4.21 119.66 117.09 2jop s GLN 47 Ca 0.00 0.70 -0.26 0.00 0.04 0.00 0.00 55.36 55.83 2jop s GLN 47 Cb 0.00 -2.05 -0.09 0.00 0.03 0.00 0.00 33.01 30.90 2jop s GLN 47 CO 0.00 -0.77 1.25 -1.17 -2.54 0.00 0.00 175.29 172.06 2jop s LEU 48 N -5.28 4.27 -0.11 2.60 2.96 -1.26 -1.13 118.68 120.72 2jop s LEU 48 Ca 0.56 2.55 -0.03 0.00 -0.22 0.00 0.00 54.13 56.99 2jop s LEU 48 Cb -0.11 -3.87 0.05 0.00 0.50 0.00 0.00 46.19 42.75 2jop s LEU 48 CO 0.54 -0.70 0.07 -0.70 -1.32 0.00 0.00 176.35 174.23 2jop s GLU 49 N -2.13 0.07 0.03 1.98 2.12 0.92 -1.46 118.70 120.23 2jop s GLU 49 Ca 0.55 0.09 0.08 0.00 0.36 0.00 0.00 54.97 56.05 2jop s GLU 49 Cb -0.36 -1.27 -0.02 0.00 0.26 0.00 0.00 34.13 32.74 2jop s GLU 49 CO 0.46 -0.51 -0.23 0.14 -0.54 0.00 0.00 175.26 174.58 2jop s VAL 50 N 2.12 1.82 -0.39 3.70 -7.23 -0.31 -1.34 120.40 118.77 2jop s VAL 50 Ca 0.03 -1.18 -0.15 0.00 -1.81 0.00 0.00 61.98 58.87 2jop s VAL 50 Cb -0.14 -1.55 0.01 0.00 0.56 0.00 0.00 36.38 35.25 2jop s VAL 50 CO -0.06 0.33 0.34 -0.47 -0.31 0.00 0.00 175.10 174.93 2jop s TYR 51 N -0.72 3.21 0.07 2.82 5.04 -0.42 0.03 117.35 127.39 2jop s TYR 51 Ca 0.09 -0.36 -0.25 0.00 -2.44 0.00 0.00 57.07 54.11 2jop s TYR 51 Cb -0.09 -2.67 0.07 0.00 0.35 0.00 0.00 41.96 39.61 2jop s TYR 51 CO 0.01 -0.55 0.61 -0.48 -1.34 0.00 0.00 175.55 173.80 2jop s LEU 52 N 1.88 -0.50 0.00 6.97 -0.00 -1.04 -4.45 118.68 121.54 2jop s LEU 52 Ca 0.08 0.26 0.00 0.00 -0.00 0.00 0.00 54.13 54.47 2jop s LEU 52 Cb -0.18 2.49 0.00 0.00 -0.00 0.00 0.00 46.19 48.50 2jop s LEU 52 CO 0.11 -0.81 0.00 1.17 -0.00 0.00 0.00 176.35 176.83 2jop n LYS 53 N 0.18 0.00 0.00 1.48 3.00 -1.26 -1.63 118.16 119.93 2jop n LYS 53 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.13 2jop n LYS 53 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 35.03 35.53 2jop n LYS 53 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2jop n ASP 54 N 1.48 0.00 -4.64 3.14 5.75 -1.26 -5.13 116.55 115.89 2jop n ASP 54 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 54.79 54.40 2jop n ASP 54 Cb 0.00 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.01 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 1.99 -0.80 6.12 0.00 -0.64 -4.99 107.32 108.99 2jop s GLY 55 Ca 0.00 -0.69 -0.25 0.00 0.00 0.00 0.00 44.72 43.78 2jop s GLY 55 CO 0.00 0.82 2.14 -0.98 0.00 0.00 0.00 173.10 175.08 2jop s TRP 56 N 1.58 1.50 -0.57 1.90 0.52 -1.26 -2.49 118.94 120.11 2jop s TRP 56 Ca 0.16 1.20 -0.22 0.00 0.02 0.00 0.00 56.10 57.26 2jop s TRP 56 Cb -0.15 -3.80 0.06 0.00 -1.15 0.00 0.00 33.47 28.43 2jop s TRP 56 CO 0.08 -1.80 0.84 -1.01 0.02 0.00 0.00 176.95 175.08 2jop s HIS 57 N 11.82 2.85 -0.35 -1.98 3.76 0.11 -4.85 115.29 126.64 2jop s HIS 57 Ca 0.80 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 55.05 2jop s HIS 57 Cb -0.10 -3.97 -0.01 0.00 1.11 0.00 0.00 32.58 29.62 2jop s HIS 57 CO 0.07 -1.33 1.59 -1.64 -0.85 0.00 0.00 174.74 172.58 2jop s MET 58 N 3.49 3.52 0.75 1.40 -1.94 -1.26 -1.16 119.30 124.10 2jop s MET 58 Ca 0.22 1.25 -0.06 0.00 -1.71 0.00 0.00 55.69 55.39 2jop s MET 58 Cb -0.16 -4.09 0.11 0.00 2.01 0.00 0.00 34.83 32.69 2jop s MET 58 CO 0.14 -1.63 1.05 0.14 -0.01 0.00 0.00 175.02 174.70 2jop s VAL 59 N 5.96 2.21 -2.08 -6.03 -7.23 -0.53 -1.44 120.40 111.26 2jop s VAL 59 Ca 0.70 -0.35 0.22 0.00 -1.81 0.00 0.00 61.98 60.74 2jop s VAL 59 Cb -0.19 -2.86 0.60 0.00 0.56 0.00 0.00 36.38 34.49 2jop s VAL 59 CO 0.32 0.00 1.80 0.00 -0.31 0.00 0.00 175.10 176.91 2jop n SER 61 N -0.59 0.00 -1.40 0.00 2.88 -1.26 -4.12 113.62 109.13 2jop n SER 61 Ca 0.17 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.61 2jop n SER 61 Cb 0.14 0.00 0.17 0.00 -0.75 0.00 0.00 64.21 63.77 2jop n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2jop n GLN 62 N 0.00 2.10 -0.93 -1.46 10.64 -1.26 -4.83 117.38 121.64 2jop n GLN 62 Ca 0.00 -3.30 -0.30 0.00 -1.83 0.00 0.00 57.00 51.56 2jop n GLN 62 Cb 0.00 -1.92 0.25 0.00 -0.86 0.00 0.00 30.24 27.71 2jop n GLN 62 CO 0.00 0.00 0.00 -1.12 -1.83 0.00 0.00 177.06 174.11 2jop s SER 63 N -2.55 0.41 0.00 2.61 0.01 -1.26 -3.02 113.70 109.90 2jop s SER 63 Ca 0.47 0.64 0.00 0.00 1.31 0.00 0.00 55.95 58.38 2jop s SER 63 Cb 0.42 -0.88 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2jop s SER 63 CO 0.00 -4.44 0.00 0.79 0.41 0.00 0.00 173.24 170.01 2jop n TRP 64 N -4.98 0.00 -2.68 2.43 8.01 0.20 -3.52 117.44 116.90 2jop n TRP 64 Ca 0.14 0.00 -0.05 0.00 -1.31 0.00 0.00 57.50 56.27 2jop n TRP 64 Cb 0.60 0.00 0.07 0.00 -2.01 0.00 0.00 31.31 29.97 2jop n TRP 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2jop n GLY 65 N 0.00 -0.14 3.41 6.99 0.00 -1.26 -2.59 105.19 111.60 2jop n GLY 65 Ca 0.00 0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 2jop n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jop s ARG 66 N 0.12 3.58 0.34 1.61 1.81 -1.17 -4.91 118.95 120.34 2jop s ARG 66 Ca 0.16 -0.52 -0.25 0.00 -1.72 0.00 0.00 55.73 53.39 2jop s ARG 66 Cb 0.25 -3.22 -0.10 0.00 -0.45 0.00 0.00 34.95 31.43 2jop s ARG 66 CO -0.09 -0.18 0.96 -1.12 -0.68 0.00 0.00 175.30 174.19 2jop s SER 67 N 1.53 7.25 -1.17 0.23 0.01 -1.26 -4.83 113.70 115.47 2jop s SER 67 Ca 0.06 1.85 -0.21 0.00 1.31 0.00 0.00 55.95 58.95 2jop s SER 67 Cb -0.15 -2.58 -0.02 0.00 0.21 0.00 0.00 66.02 63.49 2jop s SER 67 CO 0.02 -0.13 1.83 -0.44 0.41 0.00 0.00 173.24 174.92 2jop s SER 68 N -1.65 5.76 -0.00 2.44 0.01 -1.26 -4.87 113.70 114.12 2jop s SER 68 Ca 0.52 -1.76 -0.00 0.00 1.31 0.00 0.00 55.95 56.02 2jop s SER 68 Cb -0.18 -2.58 0.00 0.00 0.21 0.00 0.00 66.02 63.47 2jop s SER 68 CO 0.23 -2.28 0.00 -0.75 0.41 0.00 0.00 173.24 170.85 2jop s LYS 69 N 5.69 -0.00 -0.32 12.44 2.20 -1.26 -5.12 119.74 133.37 2jop s LYS 69 Ca 0.62 0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.96 2jop s LYS 69 Cb 0.00 -0.02 0.01 0.00 -1.51 0.00 0.00 37.83 36.31 2jop s LYS 69 CO 0.07 -0.01 1.24 -0.65 -0.36 0.00 0.00 175.35 175.64 2jop s GLN 70 N 0.09 3.92 -0.97 4.03 -0.21 -1.26 -3.49 119.66 121.77 2jop s GLN 70 Ca -0.01 1.13 -0.04 0.00 0.02 0.00 0.00 55.36 56.46 2jop s GLN 70 Cb -0.01 -3.85 0.00 0.00 1.00 0.00 0.00 33.01 30.15 2jop s GLN 70 CO -0.00 -1.11 0.58 0.91 -2.12 0.00 0.00 175.29 173.55 2jop n TRP 71 N 7.50 -1.58 -0.08 0.91 7.02 -1.21 -4.92 117.44 125.08 2jop n TRP 71 Ca 0.14 0.50 -0.10 0.00 -1.02 0.00 0.00 57.50 57.01 2jop n TRP 71 Cb 0.47 -3.49 0.04 0.00 -2.42 0.00 0.00 31.31 25.91 2jop n TRP 71 CO 0.00 0.00 0.00 1.49 -2.02 0.00 0.00 177.69 177.16 2jop h GLU 72 N -1.33 0.79 -0.50 -0.99 4.57 -1.89 -3.44 114.58 111.80 2jop h GLU 72 Ca -0.36 -0.39 0.10 0.00 -1.18 0.00 0.00 59.36 57.53 2jop h GLU 72 Cb 1.24 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.65 2jop h GLU 72 CO 0.37 1.02 -0.19 0.34 -1.18 0.00 0.00 179.01 179.37 2jop s ASP 73 N -6.83 -0.79 -0.23 1.04 2.15 -1.26 -5.04 116.67 105.71 2jop s ASP 73 Ca -0.09 -0.17 0.05 0.00 0.43 0.00 0.00 52.55 52.77 2jop s ASP 73 Cb 0.12 1.22 0.47 0.00 -0.30 0.00 0.00 42.92 44.43 2jop s ASP 73 CO 0.85 -0.11 1.47 -0.81 -0.17 0.00 0.00 175.17 176.41 2jop n PRO 74 N 4.52 2.52 0.00 4.34 -0.04 -1.26 -4.74 135.00 140.34 2jop n PRO 74 Ca 0.08 -1.98 0.00 0.00 -0.04 0.00 0.00 63.50 61.56 2jop n PRO 74 Cb 0.59 -1.86 0.00 0.00 -0.04 0.00 0.00 33.50 32.19 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 -0.16 0.00 0.00 3.54 3.41 -1.26 -4.22 113.62 114.93 2jop n SER 75 Ca 0.30 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 2jop n SER 75 Cb 1.10 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.05 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 -0.03 4.33 1.13 -1.26 -4.46 117.38 117.09 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 0.00 0.00 0.11 0.00 0.00 30.24 30.35 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 2.58 -0.33 -1.58 0.00 -1.26 -4.26 120.51 115.65 2jop n ALA 77 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.47 2jop n ALA 77 Cb 0.00 -1.01 0.29 0.00 0.00 0.00 0.00 19.45 18.73 2jop n ALA 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jop h SER 78 N 0.03 0.83 -0.66 0.00 0.87 -1.85 -1.71 113.55 111.06 2jop h SER 78 Ca 0.01 0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.59 2jop h SER 78 Cb 1.04 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 2jop h SER 78 CO 0.02 0.42 0.27 0.50 -0.53 0.00 0.00 176.83 177.51 2jop h LYS 79 N 0.88 0.98 -0.07 2.24 1.63 -1.81 -1.71 116.57 118.71 2jop h LYS 79 Ca 0.49 -0.17 -0.16 0.00 -0.85 0.00 0.00 60.65 59.96 2jop h LYS 79 Cb 0.61 -0.16 0.01 0.00 -0.60 0.00 0.00 32.23 32.08 2jop h LYS 79 CO -0.26 0.81 -0.58 -0.39 -3.45 0.00 0.00 179.45 175.58 2jop h VAL 80 N 0.93 1.37 0.00 2.00 -1.51 -1.49 0.13 116.25 117.69 2jop h VAL 80 Ca 0.22 -1.94 -0.19 0.00 -1.23 0.00 0.00 66.70 63.57 2jop h VAL 80 Cb 0.20 2.32 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 2jop h VAL 80 CO -0.02 0.58 -0.86 0.00 -1.23 0.00 0.00 177.57 176.04 2jop h GLN 82 N 0.04 0.64 -0.58 0.00 4.15 -1.15 0.18 115.11 118.38 2jop h GLN 82 Ca -0.02 -0.20 0.02 0.00 0.77 0.00 0.00 58.65 59.22 2jop h GLN 82 Cb 1.50 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 29.10 2jop h GLN 82 CO 0.12 0.74 0.39 -0.09 -1.93 0.00 0.00 178.83 178.05 2jop h ARG 83 N 0.58 0.72 -0.61 1.69 9.65 -0.41 -0.66 114.38 125.34 2jop h ARG 83 Ca 0.10 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 2jop h ARG 83 Cb 0.54 -0.16 0.00 0.00 -1.39 0.00 0.00 29.97 28.96 2jop h ARG 83 CO 0.03 0.47 0.00 1.28 2.80 0.00 0.00 179.97 184.56 2jop n LEU 84 N -4.46 3.62 -3.79 3.80 4.77 -0.65 -4.92 117.00 115.37 2jop n LEU 84 Ca 0.06 -1.82 -0.29 0.00 -0.03 0.00 0.00 56.01 53.92 2jop n LEU 84 Cb 0.09 -0.48 -0.02 0.00 -2.33 0.00 0.00 43.42 40.67 2jop n LEU 84 CO 0.35 0.65 -0.04 -0.46 -1.33 0.00 0.00 177.39 176.56 2jop n ASN 85 N 0.85 -3.09 -0.99 -1.43 0.23 -0.26 -4.81 115.26 105.76 2jop n ASN 85 Ca 0.19 -0.68 0.12 0.00 -0.53 0.00 0.00 54.58 53.69 2jop n ASN 85 Cb 0.67 -2.57 0.21 0.00 -2.08 0.00 0.00 39.78 36.01 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 1.39 0.97 3.89 0.00 0.00 -1.24 -4.58 105.19 105.62 2jop n GLY 87 Ca 0.17 -1.28 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 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 4.27 0.53 1.61 1.11 -1.26 -2.84 116.67 116.09 2jop s ASP 88 Ca 0.00 0.77 -0.19 0.00 0.18 0.00 0.00 52.55 53.31 2jop s ASP 88 Cb 0.00 -1.24 -0.06 0.00 1.07 0.00 0.00 42.92 42.69 2jop s ASP 88 CO 0.00 -2.05 1.06 -2.16 1.18 0.00 0.00 175.17 173.20 2jop s PRO 89 N -5.56 3.55 -0.41 8.23 0.04 -1.26 -0.78 135.00 138.81 2jop s PRO 89 Ca 0.63 1.36 -0.36 0.00 0.04 0.00 0.00 61.00 62.67 2jop s PRO 89 Cb -0.11 -2.06 -0.16 0.00 0.04 0.00 0.00 34.50 32.22 2jop s PRO 89 CO 0.50 -0.64 1.67 1.28 0.04 0.00 0.00 177.00 179.84 2jop n LEU 90 N -1.37 0.68 -4.78 -3.56 4.32 -1.24 -0.43 117.00 110.62 2jop n LEU 90 Ca 0.10 0.63 -0.34 0.00 -0.02 0.00 0.00 56.01 56.38 2jop n LEU 90 Cb 0.52 -0.73 0.01 0.00 -1.62 0.00 0.00 43.42 41.60 2jop n LEU 90 CO 0.42 -0.64 0.76 -0.94 -1.22 0.00 0.00 177.39 175.77 2jop s SER 91 N 4.45 5.63 -0.08 -1.43 1.04 -0.24 -4.45 113.70 118.63 2jop s SER 91 Ca 0.96 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 59.33 2jop s SER 91 Cb -1.23 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 62.28 2jop s SER 91 CO 0.56 -1.27 0.30 -0.76 0.98 0.00 0.00 173.24 173.05 2jop s LEU 92 N -4.12 4.39 -0.30 2.42 1.43 -1.25 -2.23 118.68 119.02 2jop s LEU 92 Ca 0.70 0.70 -0.16 0.00 -1.03 0.00 0.00 54.13 54.33 2jop s LEU 92 Cb -0.21 -2.38 0.20 0.00 0.03 0.00 0.00 46.19 43.83 2jop s LEU 92 CO 0.31 0.29 1.24 -0.83 0.23 0.00 0.00 176.35 177.59 2jop s GLY 93 N -0.63 0.54 -0.34 -3.19 0.00 -0.45 -3.28 107.32 99.97 2jop s GLY 93 Ca 0.19 3.77 -0.39 0.00 0.00 0.00 0.00 44.72 48.30 2jop s GLY 93 CO 0.08 2.86 1.96 -1.55 0.00 0.00 0.00 173.10 176.44 2jop n PRO 94 N 3.35 0.96 -4.53 2.90 -0.04 -1.26 -0.29 135.00 136.09 2jop n PRO 94 Ca -0.16 0.31 -0.25 0.00 -0.04 0.00 0.00 63.50 63.37 2jop n PRO 94 Cb 0.56 -2.14 -0.11 0.00 -0.04 0.00 0.00 33.50 31.77 2jop n PRO 94 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2jop s PHE 95 N 5.22 2.32 0.23 0.54 5.36 0.30 -4.70 117.98 127.26 2jop s PHE 95 Ca 1.05 -0.57 -0.32 0.00 -0.96 0.00 0.00 56.93 56.14 2jop s PHE 95 Cb -1.06 -1.37 -0.13 0.00 -0.34 0.00 0.00 43.02 40.12 2jop s PHE 95 CO 0.60 0.50 1.52 -0.11 -1.46 0.00 0.00 175.22 176.27 2jop n LEU 96 N -0.77 3.49 -4.65 6.12 7.94 -1.26 -4.77 117.00 123.10 2jop n LEU 96 Ca -0.05 1.12 -0.43 0.00 -1.11 0.00 0.00 56.01 55.55 2jop n LEU 96 Cb 0.64 -1.48 -0.03 0.00 0.53 0.00 0.00 43.42 43.08 2jop n LEU 96 CO 0.43 -0.23 0.84 -1.59 -1.11 0.00 0.00 177.39 175.74 2jop s LYS 97 N -0.03 4.19 -0.04 1.96 -2.85 -1.26 -4.89 119.74 116.83 2jop s LYS 97 Ca 0.70 1.17 0.17 0.00 -1.00 0.00 0.00 55.97 57.01 2jop s LYS 97 Cb -0.60 -3.66 0.55 0.00 -2.06 0.00 0.00 37.83 32.05 2jop s LYS 97 CO 0.45 -0.65 1.46 2.41 0.10 0.00 0.00 175.35 179.13 2jop n THR 98 N 5.41 1.31 -4.25 3.79 -1.04 -1.26 -5.00 114.28 113.23 2jop n THR 98 Ca 0.10 -1.12 -0.27 0.00 -2.04 0.00 0.00 64.05 60.72 2jop n THR 98 Cb 0.47 0.35 -0.07 0.00 -1.82 0.00 0.00 70.33 69.26 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 -1.35 2.30 -0.02 -1.42 -0.85 -1.26 -5.07 117.35 109.68 2jop s TYR 99 Ca 0.41 -0.70 -0.01 0.00 -0.52 0.00 0.00 57.07 56.24 2jop s TYR 99 Cb 0.24 -1.87 0.01 0.00 0.38 0.00 0.00 41.96 40.71 2jop s TYR 99 CO 0.24 0.11 0.04 -0.08 -1.52 0.00 0.00 175.55 174.33 2jop s THR 100 N -2.69 -0.01 -0.96 -3.49 -1.32 -1.26 -5.03 115.64 100.88 2jop s THR 100 Ca 0.33 0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.85 2jop s THR 100 Cb 0.03 -0.07 0.00 0.00 -1.51 0.00 0.00 72.50 70.96 2jop s THR 100 CO 0.18 0.02 0.27 -0.81 -2.21 0.00 0.00 174.62 172.07 2jop n PRO 101 N 3.28 0.52 -0.10 7.08 -0.04 -1.26 -0.37 135.00 144.11 2jop n PRO 101 Ca -0.15 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.17 2jop n PRO 101 Cb 0.58 -1.26 -0.05 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.26 0.53 0.00 0.54 7.27 -1.26 -4.60 117.38 120.12 2jop n GLN 102 Ca 0.00 0.22 0.04 0.00 0.07 0.00 0.00 57.00 57.33 2jop n GLN 102 Cb 0.13 -1.42 -0.03 0.00 2.41 0.00 0.00 30.24 31.33 2jop n GLN 102 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 2jop n SER 103 N -4.38 0.72 -4.85 1.69 3.41 -1.11 -4.89 113.62 104.22 2jop n SER 103 Ca -0.24 -0.86 -0.32 0.00 -0.26 0.00 0.00 58.87 57.19 2jop n SER 103 Cb 0.61 0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 65.29 2jop n SER 103 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2jop s SER 104 N -1.57 6.63 0.13 4.04 0.15 0.50 -4.67 113.70 118.92 2jop s SER 104 Ca 0.05 1.46 0.05 0.00 0.70 0.00 0.00 55.95 58.22 2jop s SER 104 Cb 0.07 -2.46 -0.04 0.00 -1.71 0.00 0.00 66.02 61.88 2jop s SER 104 CO 0.29 -0.50 -0.13 0.27 1.20 0.00 0.00 173.24 174.37 2jop s ILE 105 N -2.50 1.25 -0.27 6.45 -5.25 -0.52 -1.29 121.20 119.07 2jop s ILE 105 Ca 0.57 -1.79 0.02 0.00 -0.99 0.00 0.00 60.65 58.46 2jop s ILE 105 Cb -0.10 -1.58 0.07 0.00 2.95 0.00 0.00 42.46 43.80 2jop s ILE 105 CO 0.29 -0.51 -0.04 -0.63 -1.79 0.00 0.00 174.94 172.26 2jop s ILE 106 N -2.45 1.86 0.70 8.37 1.01 0.84 -1.95 121.20 129.58 2jop s ILE 106 Ca 0.10 -1.63 -0.08 0.00 0.00 0.00 0.00 60.65 59.04 2jop s ILE 106 Cb -0.03 -2.15 0.04 0.00 0.01 0.00 0.00 42.46 40.33 2jop s ILE 106 CO 0.02 -0.24 1.03 0.00 0.00 0.00 0.00 174.94 175.76 2jop s TYR 108 N -3.27 0.19 -3.11 0.00 2.02 -1.26 0.60 117.35 112.53 2jop s TYR 108 Ca 0.59 -0.55 0.00 0.00 -0.37 0.00 0.00 57.07 56.73 2jop s TYR 108 Cb -0.11 -0.12 0.00 0.00 -0.40 0.00 0.00 41.96 41.33 2jop s TYR 108 CO 0.47 -0.44 0.00 0.41 -1.57 0.00 0.00 175.55 174.42 2jop n GLY 109 N 0.38 0.62 3.69 0.71 0.00 -1.07 -4.75 105.19 104.77 2jop n GLY 109 Ca -0.17 -1.84 -0.40 0.00 0.00 0.00 0.00 46.02 43.61 2jop n GLY 109 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jop s GLN 110 N -1.24 4.33 -0.16 1.61 0.74 -1.26 -4.11 119.66 119.57 2jop s GLN 110 Ca 0.00 0.86 -0.38 0.00 0.05 0.00 0.00 55.36 55.90 2jop s GLN 110 Cb 0.00 -3.52 -0.15 0.00 1.10 0.00 0.00 33.01 30.44 2jop s GLN 110 CO 0.00 -0.15 1.73 -0.11 -0.55 0.00 0.00 175.29 176.21 2jop n LEU 111 N 4.59 2.64 0.00 3.68 7.94 -1.26 -1.03 117.00 133.56 2jop n LEU 111 Ca 0.01 1.05 0.00 0.00 -1.11 0.00 0.00 56.01 55.96 2jop n LEU 111 Cb 0.50 -1.23 0.00 0.00 0.53 0.00 0.00 43.42 43.22 2jop n LEU 111 CO 0.47 -0.39 0.00 0.61 -1.11 0.00 0.00 177.39 176.97 2jop n GLY 112 N 4.02 1.75 3.51 -3.96 0.00 -1.26 -5.03 105.19 104.22 2jop n GLY 112 Ca 0.24 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.38 6.62 -0.29 1.61 0.01 -0.20 -4.12 113.70 116.95 2jop s SER 113 Ca 0.00 -1.88 -0.00 0.00 1.31 0.00 0.00 55.95 55.38 2jop s SER 113 Cb 0.00 -2.48 0.23 0.00 0.21 0.00 0.00 66.02 63.98 2jop s SER 113 CO 0.00 -1.24 1.88 0.49 0.41 0.00 0.00 173.24 174.78 2jop n PHE 114 N 7.60 1.48 0.95 2.43 3.01 -0.28 -4.24 117.46 128.42 2jop n PHE 114 Ca 0.30 -1.76 0.11 0.00 1.01 0.00 0.00 57.45 57.12 2jop n PHE 114 Cb 0.49 -0.86 0.12 0.00 -0.01 0.00 0.00 39.48 39.22 2jop n PHE 114 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 2jop n SER 115 N 0.23 0.66 -3.73 4.37 7.64 -1.26 -4.81 113.62 116.72 2jop n SER 115 Ca 0.29 -0.46 -0.14 0.00 1.01 0.00 0.00 58.87 59.57 2jop n SER 115 Cb 0.68 0.52 -0.09 0.00 -1.01 0.00 0.00 64.21 64.31 2jop n SER 115 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2jop s ASN 116 N -3.11 -0.34 0.16 6.43 2.47 -1.26 -4.97 114.94 114.33 2jop s ASN 116 Ca 0.09 0.49 0.01 0.00 0.42 0.00 0.00 52.86 53.87 2jop s ASN 116 Cb 0.17 0.58 -0.00 0.00 -1.45 0.00 0.00 41.25 40.54 2jop s ASN 116 CO 0.76 -0.32 0.20 0.00 -3.72 0.00 0.00 177.10 174.02 2jop s SER 118 N -2.07 0.02 0.47 0.00 0.01 -0.95 -4.84 113.70 106.34 2jop s SER 118 Ca 0.16 -0.65 -0.23 0.00 1.31 0.00 0.00 55.95 56.54 2jop s SER 118 Cb 0.00 0.40 -0.07 0.00 0.21 0.00 0.00 66.02 66.56 2jop s SER 118 CO 0.11 -0.81 1.24 -1.00 0.41 0.00 0.00 173.24 173.19 2jop s HIS 119 N -3.88 2.74 -0.59 2.43 3.76 -1.26 -0.11 115.29 118.38 2jop s HIS 119 Ca 0.08 1.48 -0.26 0.00 -0.15 0.00 0.00 55.06 56.20 2jop s HIS 119 Cb 0.04 -3.53 -0.03 0.00 1.11 0.00 0.00 32.58 30.17 2jop s HIS 119 CO -0.08 -1.93 1.95 0.45 -0.85 0.00 0.00 174.74 174.28 2jop s SER 120 N -1.13 5.15 0.00 1.40 0.15 -0.41 -4.19 113.70 114.66 2jop s SER 120 Ca 0.64 0.47 0.16 0.00 0.70 0.00 0.00 55.95 57.92 2jop s SER 120 Cb -0.33 -2.52 0.58 0.00 -1.71 0.00 0.00 66.02 62.03 2jop s SER 120 CO 0.41 -2.45 1.43 0.54 1.20 0.00 0.00 173.24 174.36 2jop n ARG 121 N 9.15 1.68 -4.37 5.44 5.12 -1.26 -4.49 116.66 127.93 2jop n ARG 121 Ca 0.23 -1.04 -0.27 0.00 -1.93 0.00 0.00 57.85 54.84 2jop n ARG 121 Cb 0.52 -1.33 -0.12 0.00 -1.16 0.00 0.00 32.46 30.37 2jop n ARG 121 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2jop s ASN 122 N -1.33 3.12 0.24 0.55 0.01 -1.26 -5.03 114.94 111.24 2jop s ASN 122 Ca 0.27 -0.77 0.02 0.00 -0.71 0.00 0.00 52.86 51.67 2jop s ASN 122 Cb 0.14 -0.20 0.27 0.00 0.41 0.00 0.00 41.25 41.87 2jop s ASN 122 CO 0.21 0.12 1.60 -0.78 -1.51 0.00 0.00 177.10 176.74 2jop h ASP 123 N 3.73 0.42 -3.02 -1.22 3.58 -1.97 -3.40 116.42 114.53 2jop h ASP 123 Ca -0.48 -0.20 -0.10 0.00 0.42 0.00 0.00 57.03 56.67 2jop h ASP 123 Cb 1.18 -0.12 -0.26 0.00 1.72 0.00 0.00 39.33 41.85 2jop h ASP 123 CO 0.42 0.84 -0.28 0.00 -2.88 0.00 0.00 179.24 177.34 2jop s MET 124 N -4.05 0.41 -0.13 0.28 0.23 -1.26 -4.69 119.30 110.09 2jop s MET 124 Ca -0.06 0.90 0.02 0.00 -1.03 0.00 0.00 55.69 55.52 2jop s MET 124 Cb 0.12 0.08 0.22 0.00 -1.53 0.00 0.00 34.83 33.73 2jop s MET 124 CO 0.81 -0.18 1.19 0.00 -2.03 0.00 0.00 175.02 174.81 2jop n HIS 126 N 0.03 0.00 -3.43 0.00 8.25 -1.26 -4.61 115.22 114.20 2jop n HIS 126 Ca 0.16 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.41 2jop n HIS 126 Cb 0.79 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.96 2jop n HIS 126 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2jop n SER 127 N 0.77 -5.83 -4.55 0.41 7.64 -1.26 -4.48 113.62 106.33 2jop n SER 127 Ca 0.00 -0.82 -0.33 0.00 1.01 0.00 0.00 58.87 58.73 2jop n SER 127 Cb 0.00 -4.51 -0.04 0.00 -1.01 0.00 0.00 64.21 58.65 2jop n SER 127 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jop n LEU 128 N -3.64 2.13 -4.84 -3.43 7.94 -1.26 -0.54 117.00 113.36 2jop n LEU 128 Ca -0.09 -0.63 -0.30 0.00 -1.11 0.00 0.00 56.01 53.88 2jop n LEU 128 Cb 0.61 -1.56 0.17 0.00 0.53 0.00 0.00 43.42 43.17 2jop n LEU 128 CO 0.62 -1.70 0.79 -0.83 -1.11 0.00 0.00 177.39 175.17 2jop s GLY 129 N 11.86 1.68 0.01 -3.96 0.00 0.61 -4.03 107.32 113.49 2jop s GLY 129 Ca 0.99 -0.95 0.01 0.00 0.00 0.00 0.00 44.72 44.77 2jop s GLY 129 CO 0.25 -0.24 -0.03 1.08 0.00 0.00 0.00 173.10 174.16 2jop s LEU 130 N -6.04 2.07 -0.28 0.66 1.43 -1.25 -1.34 118.68 113.94 2jop s LEU 130 Ca 0.70 -0.17 -0.00 0.00 -1.03 0.00 0.00 54.13 53.62 2jop s LEU 130 Cb -0.08 -0.09 0.16 0.00 0.03 0.00 0.00 46.19 46.22 2jop s LEU 130 CO 0.53 -0.05 0.48 -0.89 0.23 0.00 0.00 176.35 176.65 2jop s THR 131 N -0.43 -0.79 -0.38 5.49 2.01 -0.95 -1.97 115.64 118.62 2jop s THR 131 Ca -0.03 -0.07 -0.40 0.00 0.31 0.00 0.00 61.69 61.50 2jop s THR 131 Cb -0.03 -0.93 -0.15 0.00 0.01 0.00 0.00 72.50 71.40 2jop s THR 131 CO -0.00 -0.09 2.03 0.00 -0.69 0.00 0.00 174.62 175.87 2jop n LEU 133 N 7.74 0.00 0.00 0.00 7.94 0.43 -4.60 117.00 128.50 2jop n LEU 133 Ca 0.41 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 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 0.82 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.26