#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 1.83 -0.01 0.55 1.02 -1.26 -5.02 118.68 115.79 2jop s LEU 26 Ca 0.00 -0.36 -0.06 0.00 0.02 0.00 0.00 54.13 53.73 2jop s LEU 26 Cb 0.00 -0.98 0.00 0.00 0.02 0.00 0.00 46.19 45.23 2jop s LEU 26 CO 0.00 0.10 0.12 -0.94 0.02 0.00 0.00 176.35 175.65 2jop s SER 27 N 0.36 0.02 0.54 2.29 1.04 -1.26 -0.29 113.70 116.41 2jop s SER 27 Ca -0.11 -0.15 0.35 0.00 0.48 0.00 0.00 55.95 56.53 2jop s SER 27 Cb -0.14 0.21 1.73 0.00 0.10 0.00 0.00 66.02 67.91 2jop s SER 27 CO 0.04 -0.30 2.07 4.11 0.98 0.00 0.00 173.24 180.14 2jop h TRP 28 N 4.63 0.00 -0.01 5.02 5.08 -1.94 -1.43 115.95 127.30 2jop h TRP 28 Ca -0.30 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.67 2jop h TRP 28 Cb 1.20 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.36 2jop h TRP 28 CO 0.56 0.00 -0.07 2.48 -1.28 0.00 0.00 178.44 180.13 2jop n TYR 29 N -2.88 0.00 -2.37 0.12 0.18 -1.26 -4.70 117.16 106.25 2jop n TYR 29 Ca -0.01 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.35 2jop n TYR 29 Cb 0.17 -0.04 -0.03 0.00 -0.38 0.00 0.00 39.34 39.06 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 -2.15 7.02 0.34 9.48 1.01 -0.54 -4.93 116.67 126.90 2jop s ASP 30 Ca 0.34 2.07 0.04 0.00 0.71 0.00 0.00 52.55 55.71 2jop s ASP 30 Cb 0.20 -2.58 0.66 0.00 1.01 0.00 0.00 42.92 42.22 2jop s ASP 30 CO 0.39 -0.52 1.93 -0.65 0.21 0.00 0.00 175.17 176.53 2jop h PRO 31 N 6.88 0.84 0.00 8.23 0.11 -1.89 -0.87 132.00 145.29 2jop h PRO 31 Ca -0.41 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2jop h PRO 31 Cb 1.21 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2jop h PRO 31 CO 0.83 0.55 0.00 0.38 -0.21 0.00 0.00 178.00 179.55 2jop h ASP 32 N 0.86 0.00 -3.10 -2.05 2.03 -1.95 -3.44 116.42 108.78 2jop h ASP 32 Ca 0.35 0.00 -0.55 0.00 -0.73 0.00 0.00 57.03 56.10 2jop h ASP 32 Cb 0.27 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.75 2jop h ASP 32 CO -0.13 0.00 0.69 0.12 -1.03 0.00 0.00 179.24 178.89 2jop s PHE 33 N -3.28 3.21 -0.22 4.15 2.19 -0.33 -5.01 117.98 118.70 2jop s PHE 33 Ca 0.06 1.24 -0.10 0.00 0.33 0.00 0.00 56.93 58.46 2jop s PHE 33 Cb 0.06 -3.41 -0.05 0.00 -1.31 0.00 0.00 43.02 38.31 2jop s PHE 33 CO 0.65 -1.24 0.14 -1.14 1.83 0.00 0.00 175.22 175.46 2jop s GLN 34 N 2.19 4.14 0.11 10.12 0.74 -1.26 -4.80 119.66 130.91 2jop s GLN 34 Ca 0.55 -0.24 -0.12 0.00 0.05 0.00 0.00 55.36 55.60 2jop s GLN 34 Cb -0.24 -3.47 0.02 0.00 1.10 0.00 0.00 33.01 30.42 2jop s GLN 34 CO 0.22 0.20 0.30 0.00 -0.55 0.00 0.00 175.29 175.46 2jop s ALA 35 N 0.64 -0.58 -0.02 1.58 0.00 -1.26 -1.98 121.76 120.15 2jop s ALA 35 Ca 0.08 -0.34 -0.19 0.00 0.00 0.00 0.00 51.96 51.51 2jop s ALA 35 Cb -0.12 0.60 0.06 0.00 0.00 0.00 0.00 23.12 23.67 2jop s ALA 35 CO 0.01 -0.58 0.85 2.89 0.00 0.00 0.00 175.76 178.92 2jop n ARG 36 N -0.15 0.12 -3.22 0.00 0.00 -0.22 -4.84 116.66 108.35 2jop n ARG 36 Ca -0.15 -0.51 -0.32 0.00 -0.00 0.00 0.00 57.85 56.87 2jop n ARG 36 Cb 0.63 0.84 -0.06 0.00 -0.00 0.00 0.00 32.46 33.87 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 4.09 0.15 2.89 1.43 -1.26 0.12 118.68 126.10 2jop s LEU 37 Ca 0.20 1.17 -0.31 0.00 -1.03 0.00 0.00 54.13 54.16 2jop s LEU 37 Cb -0.01 -3.97 -0.09 0.00 0.03 0.00 0.00 46.19 42.16 2jop s LEU 37 CO -0.00 -0.17 1.47 0.42 0.23 0.00 0.00 176.35 178.29 2jop s THR 38 N -1.94 2.95 -0.65 5.49 -4.23 0.59 -4.77 115.64 113.07 2jop s THR 38 Ca 0.52 0.69 -0.26 0.00 -1.18 0.00 0.00 61.69 61.47 2jop s THR 38 Cb -0.10 -3.44 -0.11 0.00 1.34 0.00 0.00 72.50 70.18 2jop s THR 38 CO 0.19 0.06 2.42 -2.11 -0.54 0.00 0.00 174.62 174.64 2jop n ARG 39 N 3.76 0.77 -0.00 3.99 1.85 -1.26 -4.40 116.66 121.37 2jop n ARG 39 Ca 0.12 -0.40 -0.00 0.00 -1.00 0.00 0.00 57.85 56.56 2jop n ARG 39 Cb 0.40 -3.48 -0.00 0.00 -1.05 0.00 0.00 32.46 28.33 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 16.96 0.15 0.00 2.89 3.41 -1.26 -4.94 113.62 130.82 2jop n SER 40 Ca 0.43 0.02 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 2jop n SER 40 Cb 0.47 -0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.16 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 -2.64 1.04 -3.69 4.04 4.13 -1.26 -5.09 115.26 111.79 2jop n ASN 41 Ca -0.01 -0.10 -0.14 0.00 1.68 0.00 0.00 54.58 56.01 2jop n ASN 41 Cb 0.02 0.41 -0.08 0.00 -1.54 0.00 0.00 39.78 38.59 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 -0.62 -0.46 0.23 6.41 0.15 -1.21 -4.97 113.70 113.24 2jop s SER 42 Ca 0.00 0.71 0.23 0.00 0.70 0.00 0.00 55.95 57.59 2jop s SER 42 Cb 0.00 0.74 0.94 0.00 -1.71 0.00 0.00 66.02 65.99 2jop s SER 42 CO 0.00 -0.32 1.69 2.29 1.20 0.00 0.00 173.24 178.10 2jop n LYS 43 N 2.08 0.18 -0.25 5.44 2.85 -1.26 -2.46 118.16 124.74 2jop n LYS 43 Ca -0.17 0.39 0.09 0.00 -1.05 0.00 0.00 58.31 57.58 2jop n LYS 43 Cb 0.56 -1.83 0.19 0.00 -0.65 0.00 0.00 35.03 33.30 2jop n LYS 43 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2jop s GLN 45 N -2.65 0.48 0.00 0.00 0.74 -1.03 -0.33 119.66 116.87 2jop s GLN 45 Ca 0.35 1.11 0.00 0.00 0.05 0.00 0.00 55.36 56.86 2jop s GLN 45 Cb 0.29 0.32 0.00 0.00 1.10 0.00 0.00 33.01 34.71 2jop s GLN 45 CO 0.06 -0.19 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 2jop n GLY 46 N 4.88 -2.77 3.77 2.59 0.00 0.06 -3.31 105.19 110.41 2jop n GLY 46 Ca -0.16 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.00 2.39 -0.23 1.61 -1.52 -1.26 -2.06 119.66 116.60 2jop s GLN 47 Ca 0.00 1.20 -0.28 0.00 -1.95 0.00 0.00 55.36 54.34 2jop s GLN 47 Cb 0.00 -1.91 0.00 0.00 -0.22 0.00 0.00 33.01 30.88 2jop s GLN 47 CO 0.00 -1.54 0.97 -1.17 -0.25 0.00 0.00 175.29 173.29 2jop s LEU 48 N -5.70 4.10 -0.28 2.90 2.96 -1.26 -0.30 118.68 121.10 2jop s LEU 48 Ca 0.62 1.27 -0.03 0.00 -0.22 0.00 0.00 54.13 55.77 2jop s LEU 48 Cb -0.18 -3.42 0.03 0.00 0.50 0.00 0.00 46.19 43.12 2jop s LEU 48 CO 0.53 -0.62 -0.00 -0.70 -1.32 0.00 0.00 176.35 174.24 2jop s GLU 49 N 3.06 2.77 -0.05 1.98 2.12 0.12 -0.90 118.70 127.80 2jop s GLU 49 Ca 0.41 -1.04 0.06 0.00 0.36 0.00 0.00 54.97 54.76 2jop s GLU 49 Cb -0.15 -3.15 -0.01 0.00 0.26 0.00 0.00 34.13 31.07 2jop s GLU 49 CO 0.07 -0.49 -0.24 0.14 -0.54 0.00 0.00 175.26 174.20 2jop s VAL 50 N 1.35 1.98 -0.66 3.70 -7.23 -1.01 -1.05 120.40 117.48 2jop s VAL 50 Ca -0.01 -1.04 -0.22 0.00 -1.81 0.00 0.00 61.98 58.90 2jop s VAL 50 Cb -0.18 -1.67 0.07 0.00 0.56 0.00 0.00 36.38 35.16 2jop s VAL 50 CO -0.02 0.55 0.96 -0.47 -0.31 0.00 0.00 175.10 175.82 2jop s TYR 51 N -0.23 2.68 -0.03 2.82 5.04 -0.84 -0.30 117.35 126.49 2jop s TYR 51 Ca -0.01 -0.56 -0.23 0.00 -2.44 0.00 0.00 57.07 53.82 2jop s TYR 51 Cb -0.13 -4.29 0.05 0.00 0.35 0.00 0.00 41.96 37.94 2jop s TYR 51 CO 0.03 -1.64 0.50 -0.48 -1.34 0.00 0.00 175.55 172.62 2jop s LEU 52 N 4.04 0.06 0.00 6.97 -0.00 -0.59 -4.66 118.68 124.49 2jop s LEU 52 Ca 0.22 0.42 0.00 0.00 -0.00 0.00 0.00 54.13 54.77 2jop s LEU 52 Cb -0.17 1.94 0.00 0.00 -0.00 0.00 0.00 46.19 47.96 2jop s LEU 52 CO 0.10 -0.53 0.00 1.17 -0.00 0.00 0.00 176.35 177.09 2jop n LYS 53 N 1.08 0.00 0.00 1.48 4.81 -1.26 -1.52 118.16 122.75 2jop n LYS 53 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.24 2jop n LYS 53 Cb 0.57 -0.52 0.00 0.00 0.02 0.00 0.00 35.03 35.10 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 0.86 0.00 -4.16 3.14 5.75 -1.26 -5.16 116.55 115.72 2jop n ASP 54 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 54.79 54.57 2jop n ASP 54 Cb 0.00 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 39.96 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 0.85 -0.93 6.12 0.00 -0.58 -5.01 107.32 107.77 2jop s GLY 55 Ca 0.00 -0.87 -0.24 0.00 0.00 0.00 0.00 44.72 43.61 2jop s GLY 55 CO 0.00 -0.83 1.92 0.79 0.00 0.00 0.00 173.10 174.98 2jop n TRP 56 N 1.90 1.90 -2.34 1.90 7.02 -1.25 -1.54 117.44 125.03 2jop n TRP 56 Ca -0.18 -1.23 -0.43 0.00 -1.02 0.00 0.00 57.50 54.65 2jop n TRP 56 Cb 0.54 -2.18 -0.02 0.00 -2.42 0.00 0.00 31.31 27.23 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 10.16 2.73 -0.59 -5.99 3.76 0.59 -4.60 115.29 121.36 2jop s HIS 57 Ca 0.68 0.87 -0.28 0.00 -0.15 0.00 0.00 55.06 56.19 2jop s HIS 57 Cb 0.04 -3.58 0.02 0.00 1.11 0.00 0.00 32.58 30.18 2jop s HIS 57 CO 0.17 -2.08 1.32 -1.64 -0.85 0.00 0.00 174.74 171.65 2jop s MET 58 N 3.38 3.36 0.72 1.40 -1.94 -1.26 -2.40 119.30 122.55 2jop s MET 58 Ca 0.59 0.30 0.01 0.00 -1.71 0.00 0.00 55.69 54.87 2jop s MET 58 Cb -0.25 -4.09 0.13 0.00 2.01 0.00 0.00 34.83 32.63 2jop s MET 58 CO 0.19 -1.88 0.99 0.14 -0.01 0.00 0.00 175.02 174.45 2jop s VAL 59 N 5.65 2.06 -0.69 -6.03 -7.23 -0.08 -0.92 120.40 113.17 2jop s VAL 59 Ca 0.47 -0.66 0.16 0.00 -1.81 0.00 0.00 61.98 60.15 2jop s VAL 59 Cb -0.09 -2.40 0.76 0.00 0.56 0.00 0.00 36.38 35.20 2jop s VAL 59 CO 0.24 0.00 1.68 0.00 -0.31 0.00 0.00 175.10 176.70 2jop n SER 61 N 0.82 0.00 -0.53 0.00 7.64 -1.26 -3.31 113.62 116.97 2jop n SER 61 Ca 0.26 0.00 0.07 0.00 1.01 0.00 0.00 58.87 60.21 2jop n SER 61 Cb 1.03 0.00 0.24 0.00 -1.01 0.00 0.00 64.21 64.47 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 1.68 -0.67 1.43 -0.00 -1.26 -4.92 117.38 113.64 2jop n GLN 62 Ca 0.00 -1.05 -0.31 0.00 -0.00 0.00 0.00 57.00 55.64 2jop n GLN 62 Cb 0.00 -1.29 0.17 0.00 -0.00 0.00 0.00 30.24 29.12 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 0.31 -0.58 0.00 2.61 7.64 -1.26 -1.45 113.62 120.89 2jop n SER 63 Ca 0.12 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.30 2jop n SER 63 Cb 0.27 -1.37 0.00 0.00 -1.01 0.00 0.00 64.21 62.10 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 -4.23 0.00 -0.02 1.43 8.01 0.93 -4.11 117.44 119.45 2jop n TRP 64 Ca 0.09 0.00 -0.11 0.00 -1.31 0.00 0.00 57.50 56.17 2jop n TRP 64 Cb 0.53 0.00 -0.05 0.00 -2.01 0.00 0.00 31.31 29.78 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 0.18 -2.88 6.99 0.00 -1.79 -3.33 103.07 102.24 2jop h GLY 65 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 47.33 46.84 2jop h GLY 65 CO 0.00 0.08 -0.50 0.54 0.00 0.00 0.00 176.54 176.66 2jop n ARG 66 N -4.94 -1.71 -0.14 4.80 1.74 -0.53 -4.86 116.66 111.02 2jop n ARG 66 Ca -0.05 1.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.98 2jop n ARG 66 Cb 0.08 -5.63 0.05 0.00 -1.02 0.00 0.00 32.46 25.94 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 0.20 -0.93 0.55 0.02 -1.90 -3.47 113.55 108.02 2jop h SER 67 Ca -0.47 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.54 2jop h SER 67 Cb 1.35 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.91 2jop h SER 67 CO 0.57 0.15 0.07 -0.24 -1.14 0.00 0.00 176.83 176.24 2jop n SER 68 N -4.99 -0.25 0.02 3.07 2.88 -1.26 -5.02 113.62 108.08 2jop n SER 68 Ca 0.04 -1.14 0.12 0.00 -1.33 0.00 0.00 58.87 56.55 2jop n SER 68 Cb 0.17 0.41 0.12 0.00 -0.75 0.00 0.00 64.21 64.16 2jop n SER 68 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jop n LYS 69 N -0.09 0.17 -3.45 -1.46 5.02 -1.26 -4.71 118.16 112.38 2jop n LYS 69 Ca -0.00 0.02 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 2jop n LYS 69 Cb 0.08 -1.58 -0.11 0.00 -0.02 0.00 0.00 35.03 33.40 2jop n LYS 69 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2jop s GLN 70 N -3.11 0.24 0.14 1.97 0.74 -1.26 -4.57 119.66 113.81 2jop s GLN 70 Ca 0.07 0.22 -0.24 0.00 0.05 0.00 0.00 55.36 55.46 2jop s GLN 70 Cb 0.15 -0.99 -0.08 0.00 1.10 0.00 0.00 33.01 33.20 2jop s GLN 70 CO 0.75 -0.70 0.73 -1.58 -0.55 0.00 0.00 175.29 173.94 2jop s TRP 71 N 2.37 3.88 -0.50 1.67 0.52 -1.26 -4.96 118.94 120.66 2jop s TRP 71 Ca 0.08 1.55 0.23 0.00 0.02 0.00 0.00 56.10 57.99 2jop s TRP 71 Cb -0.15 -2.72 0.18 0.00 -1.15 0.00 0.00 33.47 29.63 2jop s TRP 71 CO -0.16 0.52 1.18 1.05 0.02 0.00 0.00 176.95 179.56 2jop h GLU 72 N 4.45 0.00 -4.75 4.98 4.11 -2.01 -3.44 114.58 117.93 2jop h GLU 72 Ca -0.47 0.00 -0.67 0.00 0.07 0.00 0.00 59.36 58.29 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 0.66 0.00 -0.73 0.34 0.07 0.00 0.00 179.01 179.34 2jop s ASP 73 N -4.55 4.70 -0.38 3.06 -1.08 -1.26 -4.97 116.67 112.20 2jop s ASP 73 Ca 0.04 -1.80 0.06 0.00 -0.52 0.00 0.00 52.55 50.33 2jop s ASP 73 Cb 0.12 -1.62 0.67 0.00 -1.46 0.00 0.00 42.92 40.63 2jop s ASP 73 CO 0.76 -0.31 1.83 -0.81 0.52 0.00 0.00 175.17 177.15 2jop n PRO 74 N 4.38 2.77 0.00 4.34 -0.04 -1.26 -4.96 135.00 140.22 2jop n PRO 74 Ca -0.04 -2.89 0.00 0.00 -0.04 0.00 0.00 63.50 60.53 2jop n PRO 74 Cb 0.42 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.74 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 -0.68 0.00 0.00 3.54 3.41 -1.26 -4.51 113.62 114.12 2jop n SER 75 Ca 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2jop n SER 75 Cb 1.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.46 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 -0.35 4.33 1.13 -1.26 -4.45 117.38 116.78 2jop n GLN 76 Ca 0.00 0.00 0.04 0.00 -1.94 0.00 0.00 57.00 55.10 2jop n GLN 76 Cb 0.00 -0.13 0.17 0.00 0.11 0.00 0.00 30.24 30.40 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 2.97 -0.16 -1.58 0.00 -1.26 -4.24 120.51 116.25 2jop n ALA 77 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 2jop n ALA 77 Cb 0.00 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.47 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 1.81 0.21 -0.30 0.00 0.02 -1.85 -0.19 113.55 113.25 2jop h SER 78 Ca 0.00 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2jop h SER 78 Cb 1.00 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2jop h SER 78 CO 0.17 0.15 0.20 0.50 -1.14 0.00 0.00 176.83 176.72 2jop h LYS 79 N 0.37 0.33 0.73 3.45 3.11 -1.92 -1.41 116.57 121.24 2jop h LYS 79 Ca 0.23 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 58.01 2jop h LYS 79 Cb 0.22 -0.08 0.01 0.00 -1.00 0.00 0.00 32.23 31.38 2jop h LYS 79 CO -0.22 0.22 -0.35 0.28 -2.81 0.00 0.00 179.45 176.57 2jop h VAL 80 N 0.34 0.00 0.00 2.00 2.07 -1.32 -1.31 116.25 118.03 2jop h VAL 80 Ca 0.12 -0.21 -0.10 0.00 0.82 0.00 0.00 66.70 67.32 2jop h VAL 80 Cb 0.06 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2jop h VAL 80 CO -0.03 0.00 -0.49 0.00 0.02 0.00 0.00 177.57 177.07 2jop h GLN 82 N 0.00 1.25 0.00 0.00 4.15 -0.71 0.93 115.11 120.72 2jop h GLN 82 Ca -0.00 -0.16 -0.06 0.00 0.77 0.00 0.00 58.65 59.20 2jop h GLN 82 Cb 0.98 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 2jop h GLN 82 CO 0.06 0.93 -0.28 -0.09 -1.93 0.00 0.00 178.83 177.52 2jop h ARG 83 N 1.25 0.00 -0.60 1.69 2.43 -0.70 -1.61 114.38 116.85 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 0.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 2jop h ARG 83 CO -0.05 0.28 0.00 1.28 -1.51 0.00 0.00 179.97 179.97 2jop n LEU 84 N -3.53 3.34 -2.32 3.80 4.32 -0.55 -4.92 117.00 117.14 2jop n LEU 84 Ca -0.00 -1.68 -0.08 0.00 -0.02 0.00 0.00 56.01 54.22 2jop n LEU 84 Cb 0.43 -0.46 -0.01 0.00 -1.62 0.00 0.00 43.42 41.76 2jop n LEU 84 CO 0.34 0.59 -0.10 -0.46 -1.22 0.00 0.00 177.39 176.55 2jop n ASN 85 N 0.72 -2.87 -0.95 -1.43 0.23 -0.42 -4.78 115.26 105.76 2jop n ASN 85 Ca 0.18 0.28 0.08 0.00 -0.53 0.00 0.00 54.58 54.59 2jop n ASN 85 Cb 0.63 -2.52 0.23 0.00 -2.08 0.00 0.00 39.78 36.04 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 1.32 0.61 3.89 0.00 0.00 -1.22 -4.34 105.19 105.46 2jop n GLY 87 Ca 0.17 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.90 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 4.11 0.48 1.61 1.11 -1.26 -2.13 116.67 116.59 2jop s ASP 88 Ca 0.00 0.71 -0.21 0.00 0.18 0.00 0.00 52.55 53.22 2jop s ASP 88 Cb 0.00 -1.12 -0.07 0.00 1.07 0.00 0.00 42.92 42.79 2jop s ASP 88 CO 0.00 -2.15 1.12 -2.16 1.18 0.00 0.00 175.17 173.16 2jop s PRO 89 N -5.60 3.68 -0.37 8.23 0.04 -1.26 -0.69 135.00 139.03 2jop s PRO 89 Ca 0.64 1.62 -0.33 0.00 0.04 0.00 0.00 61.00 62.98 2jop s PRO 89 Cb -0.10 -2.24 -0.14 0.00 0.04 0.00 0.00 34.50 32.06 2jop s PRO 89 CO 0.50 -0.58 1.49 1.47 0.04 0.00 0.00 177.00 179.93 2jop n LEU 90 N -0.78 0.63 -4.76 -3.56 -0.00 -1.24 -0.80 117.00 106.48 2jop n LEU 90 Ca 0.09 0.58 -0.39 0.00 -0.00 0.00 0.00 56.01 56.29 2jop n LEU 90 Cb 0.50 -0.66 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2jop n LEU 90 CO 0.44 -0.58 0.94 -0.55 -0.00 0.00 0.00 177.39 177.65 2jop s SER 91 N 3.95 6.08 -0.03 1.45 0.15 0.64 -4.35 113.70 121.60 2jop s SER 91 Ca 0.86 2.62 0.06 0.00 0.70 0.00 0.00 55.95 60.19 2jop s SER 91 Cb -1.11 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 60.55 2jop s SER 91 CO 0.51 -1.00 -0.21 -0.22 1.20 0.00 0.00 173.24 173.53 2jop s LEU 92 N -2.75 2.37 -0.19 3.45 2.96 -1.26 -0.71 118.68 122.56 2jop s LEU 92 Ca 0.61 -0.36 -0.36 0.00 -0.22 0.00 0.00 54.13 53.81 2jop s LEU 92 Cb -0.37 -1.44 0.15 0.00 0.50 0.00 0.00 46.19 45.03 2jop s LEU 92 CO 0.46 0.33 1.36 -0.83 -1.32 0.00 0.00 176.35 176.35 2jop s GLY 93 N -0.73 -0.32 0.10 7.98 0.00 -0.82 -4.61 107.32 108.93 2jop s GLY 93 Ca 0.11 1.47 -0.33 0.00 0.00 0.00 0.00 44.72 45.97 2jop s GLY 93 CO 0.00 0.44 1.70 -1.55 0.00 0.00 0.00 173.10 173.69 2jop n PRO 94 N -0.21 2.31 -3.73 2.90 -0.04 -1.26 -0.03 135.00 134.94 2jop n PRO 94 Ca -0.01 0.84 -0.28 0.00 -0.04 0.00 0.00 63.50 64.01 2jop n PRO 94 Cb 0.59 -2.65 -0.11 0.00 -0.04 0.00 0.00 33.50 31.29 2jop n PRO 94 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jop n PHE 95 N 4.60 1.98 -0.67 0.54 7.35 -1.05 -4.72 117.46 125.49 2jop n PHE 95 Ca 0.18 -4.00 0.00 0.00 -0.76 0.00 0.00 57.45 52.87 2jop n PHE 95 Cb 0.31 -0.36 0.00 0.00 0.35 0.00 0.00 39.48 39.78 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 2.18 0.00 -3.74 -2.13 4.77 -1.26 -4.11 117.00 112.71 2jop n LEU 96 Ca 0.23 0.00 -0.28 0.00 -0.03 0.00 0.00 56.01 55.93 2jop n LEU 96 Cb 0.39 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.32 2jop n LEU 96 CO 0.22 0.00 -0.36 -0.75 -1.33 0.00 0.00 177.39 175.16 2jop s LYS 97 N 0.00 0.71 -0.09 3.23 2.20 -1.26 -4.62 119.74 119.91 2jop s LYS 97 Ca 0.00 -0.59 0.04 0.00 -0.36 0.00 0.00 55.97 55.06 2jop s LYS 97 Cb 0.00 -2.08 -0.08 0.00 -1.51 0.00 0.00 37.83 34.16 2jop s LYS 97 CO 0.00 -0.72 -0.04 2.41 -0.36 0.00 0.00 175.35 176.64 2jop n THR 98 N 4.99 0.57 -1.78 3.43 -1.04 -1.26 -5.05 114.28 114.15 2jop n THR 98 Ca -0.08 -0.28 -0.30 0.00 -2.04 0.00 0.00 64.05 61.35 2jop n THR 98 Cb 0.46 -0.83 0.06 0.00 -1.82 0.00 0.00 70.33 68.20 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 -2.20 3.16 -0.27 -1.42 -0.85 -1.26 -5.05 117.35 109.46 2jop s TYR 99 Ca -0.09 1.07 -0.06 0.00 -0.52 0.00 0.00 57.07 57.47 2jop s TYR 99 Cb 0.03 -3.10 -0.00 0.00 0.38 0.00 0.00 41.96 39.27 2jop s TYR 99 CO 0.28 -1.38 0.05 0.99 -1.52 0.00 0.00 175.55 173.97 2jop s THR 100 N -3.30 3.93 -0.83 -3.49 2.01 -1.26 -5.01 115.64 107.69 2jop s THR 100 Ca 0.59 -0.52 -0.12 0.00 0.31 0.00 0.00 61.69 61.96 2jop s THR 100 Cb -0.12 -2.93 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 2jop s THR 100 CO 0.52 0.22 2.00 -2.65 -0.69 0.00 0.00 174.62 174.02 2jop n PRO 101 N 4.87 1.79 0.04 4.92 -0.02 -1.26 -0.79 135.00 144.54 2jop n PRO 101 Ca -0.16 -1.56 0.00 0.00 -2.02 0.00 0.00 63.50 59.76 2jop n PRO 101 Cb 0.49 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2jop n PRO 101 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2jop n GLN 102 N 5.28 0.00 -0.02 -0.52 7.27 -0.94 -4.69 117.38 123.77 2jop n GLN 102 Ca 0.45 0.00 -0.12 0.00 0.07 0.00 0.00 57.00 57.39 2jop n GLN 102 Cb 0.23 0.00 -0.14 0.00 2.41 0.00 0.00 30.24 32.74 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 -2.88 1.20 -4.83 1.69 3.41 -1.09 -4.67 113.62 106.45 2jop n SER 103 Ca 0.00 0.33 -0.31 0.00 -0.26 0.00 0.00 58.87 58.62 2jop n SER 103 Cb 0.00 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 63.75 2jop n SER 103 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2jop s SER 104 N -6.33 5.54 0.12 4.04 0.01 0.03 -4.84 113.70 112.27 2jop s SER 104 Ca -0.10 1.60 0.05 0.00 1.31 0.00 0.00 55.95 58.80 2jop s SER 104 Cb 0.07 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.77 2jop s SER 104 CO 0.81 -1.34 -0.11 0.27 0.41 0.00 0.00 173.24 173.28 2jop s ILE 105 N -3.02 1.13 -0.29 1.44 -5.25 -0.09 -0.84 121.20 114.28 2jop s ILE 105 Ca 0.58 -1.80 0.02 0.00 -0.99 0.00 0.00 60.65 58.46 2jop s ILE 105 Cb -0.14 -1.57 0.08 0.00 2.95 0.00 0.00 42.46 43.78 2jop s ILE 105 CO 0.53 -0.58 -0.02 -0.63 -1.79 0.00 0.00 174.94 172.46 2jop s ILE 106 N -2.63 1.94 0.59 8.37 1.01 0.70 -2.77 121.20 128.40 2jop s ILE 106 Ca 0.10 -1.76 -0.08 0.00 0.00 0.00 0.00 60.65 58.91 2jop s ILE 106 Cb -0.02 -2.25 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2jop s ILE 106 CO 0.01 -0.30 0.95 0.00 0.00 0.00 0.00 174.94 175.60 2jop n TYR 108 N -2.62 -0.01 0.00 0.00 4.01 -1.25 -0.05 117.16 117.24 2jop n TYR 108 Ca 0.04 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 2jop n TYR 108 Cb 0.56 0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 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 1.44 0.87 3.56 2.72 0.00 -1.25 -4.42 105.19 108.11 2jop n GLY 109 Ca -0.01 -1.52 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 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 0.00 2.96 -0.21 1.61 2.00 -1.26 -4.49 119.66 120.26 2jop s GLN 110 Ca 0.00 -0.55 -0.28 0.00 -2.00 0.00 0.00 55.36 52.53 2jop s GLN 110 Cb 0.00 -2.66 -0.05 0.00 0.80 0.00 0.00 33.01 31.11 2jop s GLN 110 CO 0.00 0.56 2.17 -1.17 -0.50 0.00 0.00 175.29 176.35 2jop s LEU 111 N -0.53 3.50 0.00 3.68 2.96 -1.26 -1.15 118.68 125.88 2jop s LEU 111 Ca 0.08 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.87 2jop s LEU 111 Cb -0.12 -3.51 0.00 0.00 0.50 0.00 0.00 46.19 43.06 2jop s LEU 111 CO 0.02 -1.89 0.00 0.61 -1.32 0.00 0.00 176.35 173.77 2jop n GLY 112 N 5.67 1.09 3.07 7.98 0.00 -1.26 -4.94 105.19 116.80 2jop n GLY 112 Ca 0.29 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.61 5.07 -1.35 1.61 0.01 -0.30 -4.03 113.70 114.11 2jop s SER 113 Ca 0.00 -2.88 -0.06 0.00 1.31 0.00 0.00 55.95 54.32 2jop s SER 113 Cb 0.00 -1.81 0.10 0.00 0.21 0.00 0.00 66.02 64.52 2jop s SER 113 CO 0.00 -0.34 2.42 0.49 0.41 0.00 0.00 173.24 176.21 2jop n PHE 114 N 3.42 2.60 -0.04 2.43 3.01 0.61 -4.36 117.46 125.13 2jop n PHE 114 Ca 0.07 -2.84 -0.02 0.00 1.01 0.00 0.00 57.45 55.66 2jop n PHE 114 Cb 0.37 -1.89 -0.09 0.00 -0.01 0.00 0.00 39.48 37.86 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 1.95 2.34 -3.78 4.37 3.41 -1.26 -4.53 113.62 116.12 2jop n SER 115 Ca 0.63 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 59.11 2jop n SER 115 Cb 0.25 0.97 -0.11 0.00 -0.26 0.00 0.00 64.21 65.06 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 -4.06 -0.25 0.00 4.04 3.84 -1.26 -4.99 114.94 112.26 2jop s ASN 116 Ca -0.05 0.45 0.00 0.00 0.21 0.00 0.00 52.86 53.47 2jop s ASN 116 Cb 0.04 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.25 2jop s ASN 116 CO 0.45 -0.15 0.00 0.00 -2.79 0.00 0.00 177.10 174.61 2jop s SER 118 N -0.38 -0.30 0.38 0.00 0.15 -0.98 -4.84 113.70 107.73 2jop s SER 118 Ca 0.00 -0.21 -0.25 0.00 0.70 0.00 0.00 55.95 56.19 2jop s SER 118 Cb 0.00 0.49 -0.09 0.00 -1.71 0.00 0.00 66.02 64.71 2jop s SER 118 CO 0.00 -0.84 1.07 -1.00 1.20 0.00 0.00 173.24 173.67 2jop s HIS 119 N -3.58 3.30 -0.09 3.44 3.76 -1.26 -0.22 115.29 120.64 2jop s HIS 119 Ca 0.01 1.64 -0.20 0.00 -0.15 0.00 0.00 55.06 56.37 2jop s HIS 119 Cb 0.01 -3.19 -0.04 0.00 1.11 0.00 0.00 32.58 30.47 2jop s HIS 119 CO -0.11 -0.70 0.55 0.45 -0.85 0.00 0.00 174.74 174.09 2jop s SER 120 N -1.39 6.80 0.00 1.40 0.15 -0.02 -4.41 113.70 116.22 2jop s SER 120 Ca 0.55 0.96 0.00 0.00 0.70 0.00 0.00 55.95 58.16 2jop s SER 120 Cb -0.25 -2.33 0.00 0.00 -1.71 0.00 0.00 66.02 61.73 2jop s SER 120 CO 0.31 -0.02 0.00 0.54 1.20 0.00 0.00 173.24 175.27 2jop n ARG 121 N 3.59 0.00 -3.09 5.44 5.12 -1.26 -2.21 116.66 124.25 2jop n ARG 121 Ca -0.05 0.00 0.03 0.00 -1.93 0.00 0.00 57.85 55.90 2jop n ARG 121 Cb 0.51 0.00 -0.00 0.00 -1.16 0.00 0.00 32.46 31.81 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 0.96 -0.99 0.00 0.55 3.04 -1.26 -4.64 114.94 112.61 2jop s ASN 122 Ca 0.00 -0.12 0.00 0.00 0.04 0.00 0.00 52.86 52.78 2jop s ASN 122 Cb 0.00 1.48 0.00 0.00 -1.54 0.00 0.00 41.25 41.19 2jop s ASN 122 CO 0.00 -0.15 0.00 -0.67 -3.04 0.00 0.00 177.10 173.24 2jop n ASP 123 N 4.80 0.00 -0.08 -4.21 2.03 -1.26 -5.02 116.55 112.81 2jop n ASP 123 Ca 0.08 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.25 2jop n ASP 123 Cb 0.58 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.91 2jop n ASP 123 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51 2jop n MET 124 N 0.00 0.35 -2.42 -0.67 2.81 -1.26 -4.93 117.12 111.00 2jop n MET 124 Ca 0.00 0.11 -0.43 0.00 -1.81 0.00 0.00 57.70 55.57 2jop n MET 124 Cb 0.00 -1.19 -0.02 0.00 -0.71 0.00 0.00 33.22 31.30 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 8.54 2.69 -3.18 0.00 -0.00 -1.26 -4.76 115.22 117.24 2jop n HIS 126 Ca 0.15 -2.79 -0.18 0.00 0.46 0.00 0.00 57.72 55.36 2jop n HIS 126 Cb 0.48 -1.83 0.02 0.00 -0.12 0.00 0.00 29.99 28.54 2jop n HIS 126 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 2jop n SER 127 N 2.37 -6.64 -4.75 0.26 3.41 -1.26 -4.53 113.62 102.48 2jop n SER 127 Ca 0.53 0.34 -0.41 0.00 -0.26 0.00 0.00 58.87 59.07 2jop n SER 127 Cb 0.29 -2.98 -0.05 0.00 -0.26 0.00 0.00 64.21 61.21 2jop n SER 127 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2jop s LEU 128 N -2.06 4.55 -0.17 1.04 1.43 -1.21 -2.51 118.68 119.75 2jop s LEU 128 Ca 0.22 2.11 -0.06 0.00 -1.03 0.00 0.00 54.13 55.37 2jop s LEU 128 Cb -0.03 -3.61 -0.04 0.00 0.03 0.00 0.00 46.19 42.54 2jop s LEU 128 CO 0.65 -0.10 0.02 -0.83 0.23 0.00 0.00 176.35 176.32 2jop s GLY 129 N -0.60 1.84 -0.08 -3.19 0.00 0.95 -4.50 107.32 101.75 2jop s GLY 129 Ca 0.46 -0.77 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 2jop s GLY 129 CO 0.36 -0.04 0.02 1.08 0.00 0.00 0.00 173.10 174.53 2jop s LEU 130 N 0.26 3.69 -0.25 0.66 1.43 -0.87 -1.94 118.68 121.66 2jop s LEU 130 Ca 0.01 0.17 -0.04 0.00 -1.03 0.00 0.00 54.13 53.25 2jop s LEU 130 Cb -0.13 -1.89 0.09 0.00 0.03 0.00 0.00 46.19 44.30 2jop s LEU 130 CO 0.01 0.37 0.15 0.28 0.23 0.00 0.00 176.35 177.39 2jop s THR 131 N -0.93 -0.15 -0.76 5.49 -1.32 0.12 -0.76 115.64 117.32 2jop s THR 131 Ca 0.14 -0.48 -0.32 0.00 -1.21 0.00 0.00 61.69 59.83 2jop s THR 131 Cb -0.11 -0.83 -0.17 0.00 -1.51 0.00 0.00 72.50 69.87 2jop s THR 131 CO 0.04 -0.51 2.51 0.00 -2.21 0.00 0.00 174.62 174.45 2jop n LEU 133 N 11.15 0.00 0.00 0.00 7.94 0.13 -4.61 117.00 131.61 2jop n LEU 133 Ca 0.56 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.46 2jop n LEU 133 Cb 0.15 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.10 2jop n LEU 133 CO 0.87 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.31