#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 1.65 0.04 2.89 1.43 -1.26 -4.72 118.68 118.70 2jop s LEU 26 Ca 0.00 -2.82 -0.08 0.00 -1.03 0.00 0.00 54.13 50.21 2jop s LEU 26 Cb 0.00 -0.57 -0.00 0.00 0.03 0.00 0.00 46.19 45.65 2jop s LEU 26 CO 0.00 -0.22 0.15 -0.94 0.23 0.00 0.00 176.35 175.58 2jop s SER 27 N 0.28 0.10 0.00 2.29 1.04 -1.26 -0.39 113.70 115.76 2jop s SER 27 Ca 0.26 -0.45 0.00 0.00 0.48 0.00 0.00 55.95 56.25 2jop s SER 27 Cb -0.08 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.31 2jop s SER 27 CO -0.11 -0.54 0.93 -2.67 0.98 0.00 0.00 173.24 171.83 2jop n TRP 28 N 0.70 0.00 -0.53 5.02 4.27 -1.26 -1.72 117.44 123.91 2jop n TRP 28 Ca -0.19 0.00 0.04 0.00 -3.89 0.00 0.00 57.50 53.46 2jop n TRP 28 Cb 0.59 -0.01 0.05 0.00 -1.36 0.00 0.00 31.31 30.58 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 -0.47 0.00 -3.26 -2.67 4.11 -1.25 -3.76 117.16 109.86 2jop n TYR 29 Ca 0.00 -0.63 -0.39 0.00 -0.00 0.00 0.00 57.90 56.88 2jop n TYR 29 Cb 0.01 -0.08 -0.06 0.00 -0.00 0.00 0.00 39.34 39.21 2jop n TYR 29 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2jop s ASP 30 N -1.62 6.62 0.62 9.48 -1.08 -0.70 -4.97 116.67 125.02 2jop s ASP 30 Ca 0.12 0.75 0.38 0.00 -0.52 0.00 0.00 52.55 53.27 2jop s ASP 30 Cb 0.10 -2.30 2.04 0.00 -1.46 0.00 0.00 42.92 41.31 2jop s ASP 30 CO 0.01 -0.12 2.26 -0.65 0.52 0.00 0.00 175.17 177.19 2jop h PRO 31 N 7.19 0.00 0.00 4.34 0.11 -1.95 -1.92 132.00 139.77 2jop h PRO 31 Ca -0.36 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.63 2jop h PRO 31 Cb 1.16 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2jop h PRO 31 CO 0.75 0.02 -1.32 -3.47 -0.21 0.00 0.00 178.00 173.76 2jop n ASP 32 N -3.30 0.82 -4.76 -2.05 2.03 -1.26 -4.93 116.55 103.10 2jop n ASP 32 Ca -0.02 0.35 -0.38 0.00 0.52 0.00 0.00 54.79 55.25 2jop n ASP 32 Cb 0.13 0.31 0.01 0.00 -0.72 0.00 0.00 41.12 40.85 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 -3.07 2.68 -0.27 -0.67 5.36 -0.72 -5.00 117.98 116.28 2jop s PHE 33 Ca -0.02 1.45 -0.06 0.00 -0.96 0.00 0.00 56.93 57.33 2jop s PHE 33 Cb 0.09 -3.59 0.00 0.00 -0.34 0.00 0.00 43.02 39.18 2jop s PHE 33 CO 0.81 -2.10 0.05 -1.14 -1.46 0.00 0.00 175.22 171.37 2jop s GLN 34 N -2.62 3.20 0.07 10.12 2.00 -1.26 -4.94 119.66 126.23 2jop s GLN 34 Ca 0.64 -0.78 0.00 0.00 -2.00 0.00 0.00 55.36 53.23 2jop s GLN 34 Cb -0.35 -3.27 -0.04 0.00 0.80 0.00 0.00 33.01 30.15 2jop s GLN 34 CO 0.43 -0.36 -0.05 0.00 -0.50 0.00 0.00 175.29 174.81 2jop s ALA 35 N 1.50 0.70 0.01 1.58 0.00 -1.26 -0.42 121.76 123.87 2jop s ALA 35 Ca 0.03 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 2jop s ALA 35 Cb -0.16 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.22 2jop s ALA 35 CO 0.01 -0.30 0.74 2.89 0.00 0.00 0.00 175.76 179.10 2jop n ARG 36 N 0.12 0.16 -3.68 0.00 1.85 -0.51 -4.84 116.66 109.76 2jop n ARG 36 Ca -0.14 -0.53 -0.20 0.00 -1.00 0.00 0.00 57.85 55.98 2jop n ARG 36 Cb 0.61 0.84 -0.03 0.00 -1.05 0.00 0.00 32.46 32.83 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 3.67 0.00 2.89 1.43 -1.26 -0.19 118.68 125.22 2jop s LEU 37 Ca 0.17 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.83 2jop s LEU 37 Cb -0.01 -2.34 0.00 0.00 0.03 0.00 0.00 46.19 43.87 2jop s LEU 37 CO 0.00 -0.42 0.00 0.35 0.23 0.00 0.00 176.35 176.51 2jop n THR 38 N -1.47 0.00 -1.42 5.49 -2.24 0.15 -4.71 114.28 110.08 2jop n THR 38 Ca -0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.38 2jop n THR 38 Cb 0.60 -1.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.09 2jop n THR 38 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2jop n ARG 39 N -0.94 2.92 -1.20 -0.78 1.85 -1.26 -4.50 116.66 112.74 2jop n ARG 39 Ca 0.00 -2.26 -0.23 0.00 -1.00 0.00 0.00 57.85 54.36 2jop n ARG 39 Cb 0.00 -2.99 0.17 0.00 -1.05 0.00 0.00 32.46 28.58 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 5.20 4.09 0.00 2.89 7.64 -1.26 -4.93 113.62 127.24 2jop n SER 40 Ca 0.60 -3.66 0.00 0.00 1.01 0.00 0.00 58.87 56.83 2jop n SER 40 Cb 0.31 -0.83 0.00 0.00 -1.01 0.00 0.00 64.21 62.68 2jop n SER 40 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2jop n ASN 41 N -1.11 0.00 -4.69 6.43 5.15 -1.26 -4.87 115.26 114.91 2jop n ASN 41 Ca 0.57 0.00 -0.39 0.00 -0.60 0.00 0.00 54.58 54.16 2jop n ASN 41 Cb 1.47 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 40.66 2jop n ASN 41 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2jop s SER 42 N 0.00 6.67 0.29 1.20 0.01 -1.26 -4.93 113.70 115.69 2jop s SER 42 Ca 0.00 0.81 0.25 0.00 1.31 0.00 0.00 55.95 58.32 2jop s SER 42 Cb 0.00 -2.31 0.97 0.00 0.21 0.00 0.00 66.02 64.88 2jop s SER 42 CO 0.00 -0.12 1.76 0.11 0.41 0.00 0.00 173.24 175.40 2jop h LYS 43 N 7.10 0.00 -0.41 12.44 1.79 -1.89 -2.72 116.57 132.88 2jop h LYS 43 Ca -0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 2jop h LYS 43 Cb 1.17 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.82 2jop h LYS 43 CO 0.75 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.12 2jop s GLN 45 N -1.00 0.08 0.00 0.00 -0.21 -1.02 -0.35 119.66 117.15 2jop s GLN 45 Ca 0.28 0.53 0.00 0.00 0.02 0.00 0.00 55.36 56.19 2jop s GLN 45 Cb 0.15 -0.19 0.00 0.00 1.00 0.00 0.00 33.01 33.96 2jop s GLN 45 CO 0.19 -0.25 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 2jop n GLY 46 N 4.89 -0.32 3.86 3.09 0.00 -1.04 -4.09 105.19 111.58 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 -2.00 3.87 0.09 1.61 -0.21 -1.26 -3.82 119.66 117.94 2jop s GLN 47 Ca 0.00 0.67 -0.31 0.00 0.02 0.00 0.00 55.36 55.75 2jop s GLN 47 Cb 0.00 -2.30 -0.06 0.00 1.00 0.00 0.00 33.01 31.64 2jop s GLN 47 CO 0.00 -0.10 1.23 -1.17 -2.12 0.00 0.00 175.29 173.13 2jop s LEU 48 N -3.82 4.38 -0.21 2.90 2.96 -1.26 -0.68 118.68 122.95 2jop s LEU 48 Ca 0.54 2.11 -0.00 0.00 -0.22 0.00 0.00 54.13 56.56 2jop s LEU 48 Cb -0.10 -3.59 0.06 0.00 0.50 0.00 0.00 46.19 43.06 2jop s LEU 48 CO 0.29 -0.48 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.11 2jop s GLU 49 N 0.83 1.41 -0.04 1.98 2.12 0.74 -1.14 118.70 124.60 2jop s GLU 49 Ca 0.59 -0.79 0.06 0.00 0.36 0.00 0.00 54.97 55.18 2jop s GLU 49 Cb -0.31 -2.39 -0.02 0.00 0.26 0.00 0.00 34.13 31.67 2jop s GLU 49 CO 0.31 -0.57 -0.20 0.14 -0.54 0.00 0.00 175.26 174.39 2jop s VAL 50 N 1.53 2.52 -0.30 3.70 -7.23 -0.83 -1.42 120.40 118.37 2jop s VAL 50 Ca -0.04 -0.93 -0.11 0.00 -1.81 0.00 0.00 61.98 59.09 2jop s VAL 50 Cb -0.18 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2jop s VAL 50 CO -0.07 0.58 0.20 -0.47 -0.31 0.00 0.00 175.10 175.03 2jop s TYR 51 N -0.60 3.21 -0.14 2.82 5.04 0.44 -0.01 117.35 128.12 2jop s TYR 51 Ca 0.09 -0.05 -0.08 0.00 -2.44 0.00 0.00 57.07 54.60 2jop s TYR 51 Cb -0.11 -2.40 0.05 0.00 0.35 0.00 0.00 41.96 39.85 2jop s TYR 51 CO 0.00 -0.25 0.33 -0.48 -1.34 0.00 0.00 175.55 173.81 2jop s LEU 52 N 1.73 0.23 0.00 6.97 -0.00 -1.08 -4.02 118.68 122.52 2jop s LEU 52 Ca 0.07 0.70 0.00 0.00 -0.00 0.00 0.00 54.13 54.89 2jop s LEU 52 Cb -0.16 1.04 0.00 0.00 -0.00 0.00 0.00 46.19 47.07 2jop s LEU 52 CO 0.10 -0.17 0.00 1.17 -0.00 0.00 0.00 176.35 177.45 2jop n LYS 53 N 4.09 0.00 0.00 1.48 3.00 -1.26 -1.74 118.16 123.73 2jop n LYS 53 Ca -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.08 2jop n LYS 53 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 35.03 35.44 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 1.30 0.00 -4.58 3.14 5.75 -1.26 -5.11 116.55 115.79 2jop n ASP 54 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 54.79 54.35 2jop n ASP 54 Cb 0.00 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.07 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 1.24 -0.87 6.12 0.00 -0.71 -4.94 107.32 108.17 2jop s GLY 55 Ca 0.00 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 43.76 2jop s GLY 55 CO 0.00 2.40 2.10 -0.98 0.00 0.00 0.00 173.10 176.62 2jop s TRP 56 N 4.59 1.58 -0.55 1.90 0.52 -1.26 -2.62 118.94 123.09 2jop s TRP 56 Ca 0.44 1.11 -0.22 0.00 0.02 0.00 0.00 56.10 57.44 2jop s TRP 56 Cb -0.08 -3.83 0.05 0.00 -1.15 0.00 0.00 33.47 28.46 2jop s TRP 56 CO 0.28 -1.66 0.86 -1.01 0.02 0.00 0.00 176.95 175.43 2jop s HIS 57 N 11.78 2.85 -0.46 -1.98 3.76 0.98 -4.83 115.29 127.39 2jop s HIS 57 Ca 0.78 -0.24 -0.28 0.00 -0.15 0.00 0.00 55.06 55.16 2jop s HIS 57 Cb -0.09 -3.96 0.01 0.00 1.11 0.00 0.00 32.58 29.66 2jop s HIS 57 CO 0.03 -1.30 1.45 -1.64 -0.85 0.00 0.00 174.74 172.42 2jop s MET 58 N 3.59 3.45 0.66 1.40 -1.94 -1.26 -1.97 119.30 123.23 2jop s MET 58 Ca 0.25 0.82 -0.04 0.00 -1.71 0.00 0.00 55.69 55.01 2jop s MET 58 Cb -0.15 -4.07 0.06 0.00 2.01 0.00 0.00 34.83 32.68 2jop s MET 58 CO 0.16 -1.72 0.94 0.14 -0.01 0.00 0.00 175.02 174.53 2jop s VAL 59 N 5.81 2.38 -2.00 -6.03 -7.23 -0.30 -1.46 120.40 111.57 2jop s VAL 59 Ca 0.60 -0.42 0.13 0.00 -1.81 0.00 0.00 61.98 60.47 2jop s VAL 59 Cb -0.13 -2.96 0.36 0.00 0.56 0.00 0.00 36.38 34.21 2jop s VAL 59 CO 0.30 0.00 1.45 0.00 -0.31 0.00 0.00 175.10 176.54 2jop n SER 61 N -0.71 0.00 -4.06 0.00 7.64 -1.26 -4.13 113.62 111.10 2jop n SER 61 Ca 0.10 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.56 2jop n SER 61 Cb 0.04 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.23 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 3.84 -3.57 1.43 10.64 -1.24 -4.89 117.38 123.59 2jop n GLN 62 Ca 0.00 -4.53 -0.23 0.00 -1.83 0.00 0.00 57.00 50.40 2jop n GLN 62 Cb 0.00 -2.49 0.01 0.00 -0.86 0.00 0.00 30.24 26.90 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 -0.80 4.86 0.00 2.61 0.01 -1.26 -4.64 113.70 114.48 2jop s SER 63 Ca 0.31 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.55 2jop s SER 63 Cb 0.00 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.41 2jop s SER 63 CO 0.02 -1.08 0.00 0.79 0.41 0.00 0.00 173.24 173.38 2jop n TRP 64 N -1.86 0.00 -2.66 2.43 8.01 0.21 -2.98 117.44 120.60 2jop n TRP 64 Ca 0.04 0.00 -0.02 0.00 -1.31 0.00 0.00 57.50 56.21 2jop n TRP 64 Cb 0.63 0.00 0.11 0.00 -2.01 0.00 0.00 31.31 30.04 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 1.66 3.50 6.99 0.00 -1.26 -3.49 105.19 112.59 2jop n GLY 65 Ca 0.00 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 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 3.34 0.24 1.61 1.81 -1.16 -4.90 118.95 120.02 2jop s ARG 66 Ca 0.09 -0.75 -0.30 0.00 -1.72 0.00 0.00 55.73 53.06 2jop s ARG 66 Cb 0.40 -3.82 -0.09 0.00 -0.45 0.00 0.00 34.95 30.99 2jop s ARG 66 CO -0.11 -0.52 0.95 -1.12 -0.68 0.00 0.00 175.30 173.82 2jop s SER 67 N 1.70 7.62 -0.90 0.23 0.01 -1.26 -4.71 113.70 116.38 2jop s SER 67 Ca 0.06 1.97 -0.24 0.00 1.31 0.00 0.00 55.95 59.04 2jop s SER 67 Cb -0.18 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.42 2jop s SER 67 CO 0.10 0.13 1.84 -0.94 0.41 0.00 0.00 173.24 174.78 2jop s SER 68 N -1.12 5.42 -0.01 2.44 1.04 -1.26 -4.90 113.70 115.31 2jop s SER 68 Ca 0.41 -0.76 0.00 0.00 0.48 0.00 0.00 55.95 56.09 2jop s SER 68 Cb -0.26 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.30 2jop s SER 68 CO 0.33 -2.48 -0.00 -0.75 0.98 0.00 0.00 173.24 171.31 2jop s LYS 69 N 6.62 0.05 -0.48 4.02 2.20 -1.26 -5.11 119.74 125.78 2jop s LYS 69 Ca 0.65 0.01 -0.29 0.00 -0.36 0.00 0.00 55.97 55.99 2jop s LYS 69 Cb -0.06 -0.11 0.03 0.00 -1.51 0.00 0.00 37.83 36.18 2jop s LYS 69 CO -0.01 -0.02 1.21 -0.65 -0.36 0.00 0.00 175.35 175.52 2jop s GLN 70 N 0.21 3.66 0.18 4.03 -0.21 -1.26 -4.64 119.66 121.63 2jop s GLN 70 Ca -0.02 0.61 0.00 0.00 0.02 0.00 0.00 55.36 55.97 2jop s GLN 70 Cb -0.03 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 30.03 2jop s GLN 70 CO -0.01 -1.47 0.00 0.91 -2.12 0.00 0.00 175.29 172.61 2jop n TRP 71 N 8.16 -2.31 0.00 0.91 7.02 -1.26 -5.05 117.44 124.90 2jop n TRP 71 Ca 0.13 1.21 0.00 0.00 -1.02 0.00 0.00 57.50 57.82 2jop n TRP 71 Cb 0.49 -2.56 0.00 0.00 -2.42 0.00 0.00 31.31 26.82 2jop n TRP 71 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2jop n GLU 72 N 0.02 0.00 -3.00 -0.99 4.07 -1.26 -5.07 120.64 114.41 2jop n GLU 72 Ca 0.00 0.00 0.04 0.00 -0.06 0.00 0.00 57.16 57.14 2jop n GLU 72 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 2jop n GLU 72 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2jop s ASP 73 N 0.00 -0.55 -0.19 4.31 2.15 -1.26 -5.03 116.67 116.10 2jop s ASP 73 Ca 0.00 -0.10 0.14 0.00 0.43 0.00 0.00 52.55 53.02 2jop s ASP 73 Cb 0.00 1.03 0.72 0.00 -0.30 0.00 0.00 42.92 44.38 2jop s ASP 73 CO 0.00 -0.08 1.61 -0.81 -0.17 0.00 0.00 175.17 175.72 2jop n PRO 74 N 4.50 4.29 0.00 4.34 -0.04 -1.26 -4.76 135.00 142.07 2jop n PRO 74 Ca 0.08 -2.79 0.00 0.00 -0.04 0.00 0.00 63.50 60.74 2jop n PRO 74 Cb 0.60 -2.11 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -4.30 113.62 115.69 2jop n SER 75 Ca 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2jop n SER 75 Cb 1.04 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.99 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 -1.09 4.33 1.13 -1.26 -4.34 117.38 116.14 2jop n GLN 76 Ca 0.00 0.00 -0.24 0.00 -1.94 0.00 0.00 57.00 54.82 2jop n GLN 76 Cb 0.00 0.00 0.12 0.00 0.11 0.00 0.00 30.24 30.47 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 5.43 -0.22 -1.58 0.00 -1.25 -3.95 120.51 118.94 2jop n ALA 77 Ca 0.00 -2.61 -0.00 0.00 0.00 0.00 0.00 53.44 50.82 2jop n ALA 77 Cb 0.00 -1.48 0.11 0.00 0.00 0.00 0.00 19.45 18.08 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 1.21 0.44 0.34 0.00 0.87 -1.78 -2.02 113.55 112.61 2jop h SER 78 Ca 0.53 0.05 -0.08 0.00 -1.23 0.00 0.00 61.79 61.05 2jop h SER 78 Cb 1.93 -0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 63.85 2jop h SER 78 CO 1.09 0.27 -0.37 0.50 -0.53 0.00 0.00 176.83 177.79 2jop h LYS 79 N 0.59 0.05 -0.01 2.24 1.63 -1.83 -1.11 116.57 118.13 2jop h LYS 79 Ca 0.31 -0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.84 2jop h LYS 79 Cb 0.28 -0.00 0.02 0.00 -0.60 0.00 0.00 32.23 31.93 2jop h LYS 79 CO -0.23 0.41 -0.97 -0.39 -3.45 0.00 0.00 179.45 174.82 2jop h VAL 80 N 0.04 1.30 0.00 2.00 -1.51 -1.60 0.27 116.25 116.75 2jop h VAL 80 Ca 0.00 -2.20 -0.15 0.00 -1.23 0.00 0.00 66.70 63.12 2jop h VAL 80 Cb 0.67 2.38 -0.02 0.00 -2.13 0.00 0.00 31.29 32.19 2jop h VAL 80 CO 0.05 0.68 -0.73 0.00 -1.23 0.00 0.00 177.57 176.34 2jop h GLN 82 N 0.00 0.20 0.00 0.00 4.15 -0.66 0.28 115.11 119.07 2jop h GLN 82 Ca -0.01 -0.08 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 2jop h GLN 82 Cb 1.31 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.98 2jop h GLN 82 CO 0.09 0.51 -0.23 -0.09 -1.93 0.00 0.00 178.83 177.19 2jop h ARG 83 N 0.17 0.00 -0.62 1.69 9.65 0.21 -1.07 114.38 124.41 2jop h ARG 83 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2jop h ARG 83 Cb 0.67 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.25 2jop h ARG 83 CO 0.05 0.23 0.00 1.28 2.80 0.00 0.00 179.97 184.32 2jop n LEU 84 N -3.83 3.38 -3.35 3.80 4.77 -0.63 -4.93 117.00 116.19 2jop n LEU 84 Ca -0.02 -1.69 -0.22 0.00 -0.03 0.00 0.00 56.01 54.05 2jop n LEU 84 Cb 0.32 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.97 2jop n LEU 84 CO 0.34 0.82 -0.05 -0.46 -1.33 0.00 0.00 177.39 176.71 2jop n ASN 85 N 1.28 -3.25 -0.74 -1.43 0.23 -0.41 -4.83 115.26 106.12 2jop n ASN 85 Ca 0.21 -0.36 0.13 0.00 -0.53 0.00 0.00 54.58 54.02 2jop n ASN 85 Cb 0.54 -2.72 0.23 0.00 -2.08 0.00 0.00 39.78 35.75 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 1.30 0.96 3.88 0.00 0.00 -1.21 -4.57 105.19 105.56 2jop n GLY 87 Ca 0.15 -1.27 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 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 3.73 0.52 1.61 1.11 -1.26 -2.13 116.67 116.24 2jop s ASP 88 Ca 0.00 0.62 -0.19 0.00 0.18 0.00 0.00 52.55 53.16 2jop s ASP 88 Cb 0.00 -0.96 -0.07 0.00 1.07 0.00 0.00 42.92 42.96 2jop s ASP 88 CO 0.00 -2.38 1.06 -2.16 1.18 0.00 0.00 175.17 172.87 2jop s PRO 89 N -5.64 3.62 -0.40 8.23 0.04 -1.26 -1.01 135.00 138.58 2jop s PRO 89 Ca 0.67 1.36 -0.35 0.00 0.04 0.00 0.00 61.00 62.71 2jop s PRO 89 Cb -0.09 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 32.23 2jop s PRO 89 CO 0.51 -0.58 1.69 1.47 0.04 0.00 0.00 177.00 180.13 2jop n LEU 90 N -1.27 0.62 -4.77 -3.56 -0.00 -1.23 -0.16 117.00 106.63 2jop n LEU 90 Ca 0.09 0.56 -0.35 0.00 -0.00 0.00 0.00 56.01 56.32 2jop n LEU 90 Cb 0.52 -0.72 0.02 0.00 -0.00 0.00 0.00 43.42 43.24 2jop n LEU 90 CO 0.42 -0.62 0.80 -0.94 -0.00 0.00 0.00 177.39 177.05 2jop s SER 91 N 4.68 5.49 -0.06 1.45 1.04 0.38 -4.41 113.70 122.27 2jop s SER 91 Ca 0.95 2.23 -0.13 0.00 0.48 0.00 0.00 55.95 59.49 2jop s SER 91 Cb -1.20 -2.58 -0.05 0.00 0.10 0.00 0.00 66.02 62.28 2jop s SER 91 CO 0.53 -1.38 0.33 -0.76 0.98 0.00 0.00 173.24 172.94 2jop s LEU 92 N -3.98 4.41 0.00 2.42 1.43 -1.26 -1.93 118.68 119.76 2jop s LEU 92 Ca 0.74 0.77 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2jop s LEU 92 Cb -0.26 -2.43 0.00 0.00 0.03 0.00 0.00 46.19 43.53 2jop s LEU 92 CO 0.30 0.29 0.00 0.61 0.23 0.00 0.00 176.35 177.79 2jop n GLY 93 N 2.18 1.56 3.61 -3.19 0.00 -0.61 -4.04 105.19 104.70 2jop n GLY 93 Ca -0.15 0.20 -0.53 0.00 0.00 0.00 0.00 46.02 45.54 2jop n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jop n PRO 94 N -0.08 1.34 0.00 1.61 -0.04 -1.26 -0.28 135.00 136.29 2jop n PRO 94 Ca 0.00 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.92 2jop n PRO 94 Cb 0.00 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.12 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 7.20 0.00 -3.60 0.54 7.35 0.19 -4.68 117.46 124.47 2jop n PHE 95 Ca 0.31 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.94 2jop n PHE 95 Cb 0.20 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.99 2jop n PHE 95 CO 0.00 0.00 0.00 -1.17 -0.76 0.00 0.00 176.76 174.83 2jop s LEU 96 N -3.10 -0.22 -0.64 -2.13 2.96 -1.26 -5.00 118.68 109.29 2jop s LEU 96 Ca 0.00 0.18 -0.20 0.00 -0.22 0.00 0.00 54.13 53.89 2jop s LEU 96 Cb 0.00 1.53 0.10 0.00 0.50 0.00 0.00 46.19 48.32 2jop s LEU 96 CO 0.00 -0.24 0.80 -1.59 -1.32 0.00 0.00 176.35 174.00 2jop s LYS 97 N -1.47 3.11 -0.01 1.98 -2.85 -1.26 -4.79 119.74 114.45 2jop s LYS 97 Ca 0.04 -1.26 0.19 0.00 -1.00 0.00 0.00 55.97 53.94 2jop s LYS 97 Cb -0.01 -4.30 -0.26 0.00 -2.06 0.00 0.00 37.83 31.20 2jop s LYS 97 CO -0.03 -1.62 0.58 2.41 0.10 0.00 0.00 175.35 176.79 2jop n THR 98 N 5.59 0.00 -1.67 3.79 -1.04 -1.26 -5.01 114.28 114.68 2jop n THR 98 Ca -0.05 -0.27 -0.29 0.00 -2.04 0.00 0.00 64.05 61.39 2jop n THR 98 Cb 0.44 0.47 0.15 0.00 -1.82 0.00 0.00 70.33 69.57 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 -3.08 2.14 -0.13 -1.42 -0.85 -1.26 -5.09 117.35 107.65 2jop s TYR 99 Ca -0.01 0.65 -0.06 0.00 -0.52 0.00 0.00 57.07 57.13 2jop s TYR 99 Cb 0.13 -3.62 0.06 0.00 0.38 0.00 0.00 41.96 38.91 2jop s TYR 99 CO 0.78 -2.48 0.29 -0.08 -1.52 0.00 0.00 175.55 172.54 2jop s THR 100 N -3.48 -0.29 -0.81 -3.49 -1.32 -1.26 -5.03 115.64 99.95 2jop s THR 100 Ca 0.67 0.21 -0.25 0.00 -1.21 0.00 0.00 61.69 61.12 2jop s THR 100 Cb -0.10 -0.46 -0.16 0.00 -1.51 0.00 0.00 72.50 70.27 2jop s THR 100 CO 0.52 0.09 2.39 -2.65 -2.21 0.00 0.00 174.62 172.77 2jop n PRO 101 N 4.93 0.51 0.00 7.08 -0.02 -1.26 -1.13 135.00 145.11 2jop n PRO 101 Ca -0.14 -0.81 0.00 0.00 -2.02 0.00 0.00 63.50 60.54 2jop n PRO 101 Cb 0.51 -3.50 0.00 0.00 -0.02 0.00 0.00 33.50 30.49 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 8.55 0.00 -0.03 -0.52 7.27 -1.26 -4.92 117.38 126.47 2jop n GLN 102 Ca 0.48 0.00 0.01 0.00 0.07 0.00 0.00 57.00 57.57 2jop n GLN 102 Cb 0.41 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 32.96 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 0.00 2.00 -4.89 1.69 3.41 -1.00 -4.99 113.62 109.83 2jop n SER 103 Ca 0.00 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.31 2jop n SER 103 Cb 0.00 1.26 -0.03 0.00 -0.26 0.00 0.00 64.21 65.18 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 -3.93 6.48 0.17 4.04 0.15 -0.28 -4.65 113.70 115.67 2jop s SER 104 Ca -0.05 0.99 0.02 0.00 0.70 0.00 0.00 55.95 57.61 2jop s SER 104 Cb 0.06 -2.26 -0.05 0.00 -1.71 0.00 0.00 66.02 62.06 2jop s SER 104 CO 0.53 -0.35 -0.03 0.27 1.20 0.00 0.00 173.24 174.86 2jop s ILE 105 N -2.31 0.81 -0.22 6.45 -5.25 -0.54 -2.82 121.20 117.32 2jop s ILE 105 Ca 0.49 -2.00 -0.00 0.00 -0.99 0.00 0.00 60.65 58.15 2jop s ILE 105 Cb -0.10 -2.04 0.06 0.00 2.95 0.00 0.00 42.46 43.32 2jop s ILE 105 CO 0.32 -0.56 -0.03 -0.63 -1.79 0.00 0.00 174.94 172.25 2jop s ILE 106 N -3.56 1.28 0.62 8.37 1.01 0.47 -2.15 121.20 127.24 2jop s ILE 106 Ca 0.22 -1.04 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2jop s ILE 106 Cb 0.05 -1.60 -0.00 0.00 0.01 0.00 0.00 42.46 40.92 2jop s ILE 106 CO 0.03 -0.11 0.97 0.00 0.00 0.00 0.00 174.94 175.82 2jop s TYR 108 N -3.10 0.54 -1.14 0.00 2.02 -1.23 0.64 117.35 115.08 2jop s TYR 108 Ca 0.54 -0.89 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 2jop s TYR 108 Cb -0.11 -0.14 0.00 0.00 -0.40 0.00 0.00 41.96 41.31 2jop s TYR 108 CO 0.49 -0.71 0.00 0.41 -1.57 0.00 0.00 175.55 174.16 2jop n GLY 109 N -0.22 0.43 3.73 0.71 0.00 -1.23 -4.60 105.19 104.01 2jop n GLY 109 Ca -0.05 -2.01 -0.39 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.45 4.38 0.19 1.61 0.74 -1.26 -4.28 119.66 120.59 2jop s GLN 110 Ca 0.00 0.70 -0.33 0.00 0.05 0.00 0.00 55.36 55.78 2jop s GLN 110 Cb 0.00 -3.43 -0.14 0.00 1.10 0.00 0.00 33.01 30.54 2jop s GLN 110 CO 0.00 0.14 1.41 -0.11 -0.55 0.00 0.00 175.29 176.18 2jop n LEU 111 N 3.59 2.73 0.00 3.68 7.94 -1.26 -1.60 117.00 132.07 2jop n LEU 111 Ca -0.04 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 2jop n LEU 111 Cb 0.51 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2jop n LEU 111 CO 0.45 -0.61 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 2jop n GLY 112 N 2.50 0.13 3.10 -3.96 0.00 -1.26 -5.02 105.19 100.68 2jop n GLY 112 Ca 0.14 0.00 -0.36 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 -2.11 5.25 -0.09 1.61 0.01 -0.63 -4.19 113.70 113.55 2jop s SER 113 Ca 0.00 -2.60 0.02 0.00 1.31 0.00 0.00 55.95 54.68 2jop s SER 113 Cb 0.00 -1.85 0.18 0.00 0.21 0.00 0.00 66.02 64.56 2jop s SER 113 CO 0.00 -0.43 1.05 0.49 0.41 0.00 0.00 173.24 174.76 2jop n PHE 114 N 3.83 0.65 0.48 2.43 3.01 0.48 -3.99 117.46 124.34 2jop n PHE 114 Ca 0.05 -0.56 0.13 0.00 1.01 0.00 0.00 57.45 58.08 2jop n PHE 114 Cb 0.39 -0.33 0.30 0.00 -0.01 0.00 0.00 39.48 39.83 2jop n PHE 114 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2jop h SER 115 N 0.55 0.00 -3.59 4.37 4.64 -1.92 -3.45 113.55 114.15 2jop h SER 115 Ca 0.09 -0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.12 2jop h SER 115 Cb 1.21 0.00 -0.32 0.00 -0.31 0.00 0.00 62.40 62.98 2jop h SER 115 CO 0.21 0.01 -0.71 0.21 -0.87 0.00 0.00 176.83 175.68 2jop s ASN 116 N -5.05 0.02 0.35 4.97 2.47 -1.26 -5.15 114.94 111.30 2jop s ASN 116 Ca 0.09 0.06 0.05 0.00 0.42 0.00 0.00 52.86 53.47 2jop s ASN 116 Cb 0.10 -0.01 -0.02 0.00 -1.45 0.00 0.00 41.25 39.87 2jop s ASN 116 CO 0.64 -0.08 0.19 0.00 -3.72 0.00 0.00 177.10 174.12 2jop s SER 118 N -3.29 0.04 0.42 0.00 0.01 -0.85 -4.73 113.70 105.31 2jop s SER 118 Ca 0.26 -0.67 -0.23 0.00 1.31 0.00 0.00 55.95 56.63 2jop s SER 118 Cb 0.01 0.39 -0.09 0.00 0.21 0.00 0.00 66.02 66.55 2jop s SER 118 CO 0.19 -0.80 1.05 -1.00 0.41 0.00 0.00 173.24 173.09 2jop s HIS 119 N -3.89 3.18 -0.78 2.43 3.76 -1.26 -0.39 115.29 118.33 2jop s HIS 119 Ca 0.08 1.62 -0.26 0.00 -0.15 0.00 0.00 55.06 56.36 2jop s HIS 119 Cb 0.04 -3.13 0.01 0.00 1.11 0.00 0.00 32.58 30.61 2jop s HIS 119 CO -0.08 -0.73 1.58 0.45 -0.85 0.00 0.00 174.74 175.11 2jop s SER 120 N -1.65 5.82 0.19 1.40 0.15 -1.13 -4.35 113.70 114.13 2jop s SER 120 Ca 0.60 -0.46 0.10 0.00 0.70 0.00 0.00 55.95 56.89 2jop s SER 120 Cb -0.21 -2.55 -0.04 0.00 -1.71 0.00 0.00 66.02 61.50 2jop s SER 120 CO 0.26 -2.06 1.37 0.03 1.20 0.00 0.00 173.24 174.04 2jop h ARG 121 N 11.57 0.00 -6.85 5.44 2.47 -1.92 -3.40 114.38 121.68 2jop h ARG 121 Ca -0.12 0.00 -0.48 0.00 -1.26 0.00 0.00 59.98 58.12 2jop h ARG 121 Cb 1.07 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.37 2jop h ARG 121 CO 1.28 0.81 0.36 -0.80 0.56 0.00 0.00 179.97 182.18 2jop s ASN 122 N -6.65 7.38 0.24 7.04 0.01 -1.26 -4.95 114.94 116.75 2jop s ASN 122 Ca 0.01 1.90 0.01 0.00 -0.71 0.00 0.00 52.86 54.07 2jop s ASN 122 Cb 0.10 -2.59 0.27 0.00 0.41 0.00 0.00 41.25 39.43 2jop s ASN 122 CO 0.79 -0.04 1.60 -0.78 -1.51 0.00 0.00 177.10 177.17 2jop h ASP 123 N 3.41 0.46 -3.70 -1.22 3.58 -2.01 -3.43 116.42 113.51 2jop h ASP 123 Ca -0.46 -0.22 -0.20 0.00 0.42 0.00 0.00 57.03 56.57 2jop h ASP 123 Cb 1.20 -0.13 -0.28 0.00 1.72 0.00 0.00 39.33 41.84 2jop h ASP 123 CO 0.66 0.85 -0.55 0.00 -2.88 0.00 0.00 179.24 177.32 2jop s MET 124 N -4.11 0.16 -0.20 0.28 0.23 -1.26 -4.86 119.30 109.55 2jop s MET 124 Ca -0.06 0.26 0.15 0.00 -1.03 0.00 0.00 55.69 55.01 2jop s MET 124 Cb 0.12 0.03 0.67 0.00 -1.53 0.00 0.00 34.83 34.12 2jop s MET 124 CO 0.81 -0.05 1.58 0.00 -2.03 0.00 0.00 175.02 175.33 2jop n HIS 126 N 0.15 0.00 -3.15 0.00 8.25 -1.26 -4.56 115.22 114.64 2jop n HIS 126 Ca 0.24 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.56 2jop n HIS 126 Cb 1.02 0.00 0.07 0.00 1.12 0.00 0.00 29.99 32.20 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 -5.22 -4.55 0.41 7.64 -1.26 -4.61 113.62 106.80 2jop n SER 127 Ca 0.00 -0.63 -0.36 0.00 1.01 0.00 0.00 58.87 58.89 2jop n SER 127 Cb 0.00 -4.79 -0.03 0.00 -1.01 0.00 0.00 64.21 58.38 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 -3.27 2.32 0.00 -3.43 7.94 -1.26 -0.64 117.00 118.66 2jop n LEU 128 Ca -0.11 -0.47 -0.13 0.00 -1.11 0.00 0.00 56.01 54.18 2jop n LEU 128 Cb 0.62 -1.58 0.08 0.00 0.53 0.00 0.00 43.42 43.08 2jop n LEU 128 CO 0.54 -1.53 0.37 0.61 -1.11 0.00 0.00 177.39 176.27 2jop n GLY 129 N 6.01 -0.39 3.11 -3.96 0.00 0.62 -3.64 105.19 106.93 2jop n GLY 129 Ca 0.37 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 2jop n GLY 129 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jop s LEU 130 N 0.00 1.33 -0.28 0.99 1.43 -1.25 -1.57 118.68 119.34 2jop s LEU 130 Ca 0.36 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.59 2jop s LEU 130 Cb -0.01 0.73 0.15 0.00 0.03 0.00 0.00 46.19 47.09 2jop s LEU 130 CO 0.25 -0.23 0.41 -0.89 0.23 0.00 0.00 176.35 176.12 2jop s THR 131 N -0.63 -0.64 -0.54 5.49 2.01 -0.81 -2.49 115.64 118.03 2jop s THR 131 Ca -0.07 -0.23 -0.34 0.00 0.31 0.00 0.00 61.69 61.36 2jop s THR 131 Cb -0.04 -0.94 -0.14 0.00 0.01 0.00 0.00 72.50 71.38 2jop s THR 131 CO 0.01 -0.23 2.34 0.00 -0.69 0.00 0.00 174.62 176.04 2jop n LEU 133 N 10.75 0.00 0.00 0.00 7.94 0.77 -4.61 117.00 131.85 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 0.21 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.16 2jop n LEU 133 CO 0.81 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.25