#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 1.78 -0.02 2.89 1.43 -1.26 -4.65 118.68 118.84 2jop s LEU 26 Ca 0.00 -3.15 -0.08 0.00 -1.03 0.00 0.00 54.13 49.87 2jop s LEU 26 Cb 0.00 -0.57 0.01 0.00 0.03 0.00 0.00 46.19 45.66 2jop s LEU 26 CO 0.00 -0.16 0.17 -0.44 0.23 0.00 0.00 176.35 176.15 2jop s SER 27 N -0.10 -0.06 0.00 2.29 0.01 -1.25 -0.06 113.70 114.52 2jop s SER 27 Ca 0.32 -0.00 0.01 0.00 1.31 0.00 0.00 55.95 57.58 2jop s SER 27 Cb 0.03 0.27 0.04 0.00 0.21 0.00 0.00 66.02 66.57 2jop s SER 27 CO -0.19 -0.29 0.95 -2.67 0.41 0.00 0.00 173.24 171.45 2jop n TRP 28 N 1.87 0.00 -0.85 2.43 4.27 -1.25 -1.18 117.44 122.74 2jop n TRP 28 Ca -0.20 0.00 0.06 0.00 -3.89 0.00 0.00 57.50 53.47 2jop n TRP 28 Cb 0.56 0.00 0.08 0.00 -1.36 0.00 0.00 31.31 30.59 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 -0.51 0.00 -3.48 -2.67 4.11 -1.26 -4.07 117.16 109.27 2jop n TYR 29 Ca 0.00 -0.71 -0.38 0.00 -0.00 0.00 0.00 57.90 56.81 2jop n TYR 29 Cb 0.00 -0.10 -0.09 0.00 -0.00 0.00 0.00 39.34 39.15 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 -2.03 6.22 0.60 9.48 -1.08 -0.32 -4.89 116.67 124.66 2jop s ASP 30 Ca 0.18 0.25 0.32 0.00 -0.52 0.00 0.00 52.55 52.77 2jop s ASP 30 Cb 0.16 -2.18 1.86 0.00 -1.46 0.00 0.00 42.92 41.30 2jop s ASP 30 CO 0.02 -0.08 2.21 -0.65 0.52 0.00 0.00 175.17 177.19 2jop h PRO 31 N 7.89 0.00 -0.00 4.34 0.11 -1.95 -1.35 132.00 141.04 2jop h PRO 31 Ca -0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2jop h PRO 31 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2jop h PRO 31 CO 0.64 0.00 -0.49 -3.47 -0.21 0.00 0.00 178.00 174.48 2jop n ASP 32 N -3.69 0.53 -4.79 -2.05 2.03 -1.26 -4.88 116.55 102.44 2jop n ASP 32 Ca -0.02 -0.29 -0.39 0.00 0.52 0.00 0.00 54.79 54.62 2jop n ASP 32 Cb 0.17 0.25 -0.06 0.00 -0.72 0.00 0.00 41.12 40.76 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 -2.97 3.77 -0.33 -0.67 5.36 -0.51 -5.05 117.98 117.58 2jop s PHE 33 Ca 0.12 1.26 -0.14 0.00 -0.96 0.00 0.00 56.93 57.20 2jop s PHE 33 Cb 0.18 -2.55 -0.02 0.00 -0.34 0.00 0.00 43.02 40.29 2jop s PHE 33 CO 0.69 0.50 0.32 -0.65 -1.46 0.00 0.00 175.22 174.62 2jop s GLN 34 N -0.77 3.63 0.07 10.12 1.11 -1.26 -4.90 119.66 127.65 2jop s GLN 34 Ca 0.30 -0.41 0.02 0.00 0.01 0.00 0.00 55.36 55.28 2jop s GLN 34 Cb -0.19 -3.78 -0.04 0.00 -1.01 0.00 0.00 33.01 28.00 2jop s GLN 34 CO 0.19 -0.45 -0.07 0.00 0.01 0.00 0.00 175.29 174.97 2jop s ALA 35 N 1.94 0.80 0.11 6.09 0.00 -1.26 -1.18 121.76 128.26 2jop s ALA 35 Ca 0.10 -1.12 -0.13 0.00 0.00 0.00 0.00 51.96 50.82 2jop s ALA 35 Cb -0.17 0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.12 2jop s ALA 35 CO 0.11 -0.16 0.61 2.89 0.00 0.00 0.00 175.76 179.21 2jop n ARG 36 N 0.53 0.39 -3.32 0.00 1.85 0.21 -4.85 116.66 111.48 2jop n ARG 36 Ca -0.16 -0.89 -0.19 0.00 -1.00 0.00 0.00 57.85 55.61 2jop n ARG 36 Cb 0.58 1.20 0.00 0.00 -1.05 0.00 0.00 32.46 33.20 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 0.00 2.89 1.43 -1.26 -0.23 118.68 125.38 2jop s LEU 37 Ca 0.14 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 2jop s LEU 37 Cb -0.02 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.48 2jop s LEU 37 CO 0.03 -0.54 0.24 0.35 0.23 0.00 0.00 176.35 176.67 2jop n THR 38 N -1.73 0.00 -2.15 5.49 -2.24 0.49 -4.64 114.28 109.49 2jop n THR 38 Ca 0.02 -0.33 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 2jop n THR 38 Cb 0.58 -1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 67.39 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 -1.46 2.27 -0.35 -0.78 1.85 -1.26 -4.49 116.66 112.43 2jop n ARG 39 Ca 0.04 -2.73 0.08 0.00 -1.00 0.00 0.00 57.85 54.24 2jop n ARG 39 Cb 0.13 -3.55 0.22 0.00 -1.05 0.00 0.00 32.46 28.21 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 11.03 3.23 0.00 2.89 7.64 -1.26 -5.01 113.62 132.15 2jop n SER 40 Ca 0.47 -3.12 0.00 0.00 1.01 0.00 0.00 58.87 57.23 2jop n SER 40 Cb 0.45 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 63.14 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 -0.88 0.00 -4.74 6.43 4.13 -1.26 -4.89 115.26 114.05 2jop n ASN 41 Ca 0.20 0.00 -0.41 0.00 1.68 0.00 0.00 54.58 56.05 2jop n ASN 41 Cb 0.82 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 39.03 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 6.93 0.30 6.41 0.01 -1.26 -4.90 113.70 121.20 2jop s SER 42 Ca 0.00 2.35 0.26 0.00 1.31 0.00 0.00 55.95 59.87 2jop s SER 42 Cb 0.00 -2.61 0.97 0.00 0.21 0.00 0.00 66.02 64.59 2jop s SER 42 CO 0.00 -0.50 1.76 0.11 0.41 0.00 0.00 173.24 175.02 2jop h LYS 43 N 5.46 0.00 -0.04 12.44 1.79 -1.96 -2.78 116.57 131.49 2jop h LYS 43 Ca -0.44 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.03 2jop h LYS 43 Cb 1.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.86 2jop h LYS 43 CO 0.77 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 179.14 2jop s GLN 45 N -2.70 0.02 0.00 0.00 -0.21 -1.05 -0.17 119.66 115.55 2jop s GLN 45 Ca 0.31 0.37 0.00 0.00 0.02 0.00 0.00 55.36 56.05 2jop s GLN 45 Cb 0.26 -0.27 0.00 0.00 1.00 0.00 0.00 33.01 34.01 2jop s GLN 45 CO 0.04 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.40 2jop n GLY 46 N 4.59 2.78 3.83 3.09 0.00 -0.91 -4.28 105.19 114.29 2jop n GLY 46 Ca -0.19 -0.99 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.02 3.12 0.15 1.61 -0.21 -1.26 -3.93 119.66 117.12 2jop s GLN 47 Ca 0.00 0.95 -0.30 0.00 0.02 0.00 0.00 55.36 56.03 2jop s GLN 47 Cb 0.00 -2.01 -0.07 0.00 1.00 0.00 0.00 33.01 31.92 2jop s GLN 47 CO 0.00 -0.95 1.10 -1.17 -2.12 0.00 0.00 175.29 172.15 2jop s LEU 48 N -5.32 4.47 -0.08 2.90 2.96 -1.26 -0.38 118.68 121.96 2jop s LEU 48 Ca 0.58 2.05 0.00 0.00 -0.22 0.00 0.00 54.13 56.55 2jop s LEU 48 Cb -0.14 -3.60 0.02 0.00 0.50 0.00 0.00 46.19 42.98 2jop s LEU 48 CO 0.52 -0.25 -0.07 -0.70 -1.32 0.00 0.00 176.35 174.53 2jop s GLU 49 N -0.10 1.28 -0.01 1.98 2.12 0.68 -1.01 118.70 123.63 2jop s GLU 49 Ca 0.51 -0.20 0.05 0.00 0.36 0.00 0.00 54.97 55.68 2jop s GLU 49 Cb -0.29 -1.31 -0.01 0.00 0.26 0.00 0.00 34.13 32.78 2jop s GLU 49 CO 0.34 -0.18 -0.15 0.14 -0.54 0.00 0.00 175.26 174.87 2jop s VAL 50 N 1.38 1.17 -0.42 3.70 -7.23 -0.19 -0.61 120.40 118.20 2jop s VAL 50 Ca -0.02 -0.63 -0.17 0.00 -1.81 0.00 0.00 61.98 59.35 2jop s VAL 50 Cb -0.14 -0.98 0.02 0.00 0.56 0.00 0.00 36.38 35.85 2jop s VAL 50 CO -0.04 0.33 0.42 -0.47 -0.31 0.00 0.00 175.10 175.04 2jop s TYR 51 N -0.32 3.18 -0.02 2.82 5.04 -0.32 0.05 117.35 127.77 2jop s TYR 51 Ca 0.05 -0.40 -0.21 0.00 -2.44 0.00 0.00 57.07 54.07 2jop s TYR 51 Cb -0.06 -2.85 0.04 0.00 0.35 0.00 0.00 41.96 39.43 2jop s TYR 51 CO -0.00 -0.69 0.44 -0.48 -1.34 0.00 0.00 175.55 173.48 2jop s LEU 52 N 2.08 0.31 0.00 6.97 -0.00 -1.04 -4.47 118.68 122.53 2jop s LEU 52 Ca 0.11 0.29 0.00 0.00 -0.00 0.00 0.00 54.13 54.53 2jop s LEU 52 Cb -0.17 1.74 0.00 0.00 -0.00 0.00 0.00 46.19 47.75 2jop s LEU 52 CO 0.13 -0.52 0.00 1.17 -0.00 0.00 0.00 176.35 177.13 2jop n LYS 53 N 1.07 0.00 0.00 1.48 3.00 -1.26 -1.83 118.16 120.62 2jop n LYS 53 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.11 2jop n LYS 53 Cb 0.57 -0.11 0.00 0.00 0.00 0.00 0.00 35.03 35.49 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 1.37 0.00 -4.64 3.14 5.75 -1.26 -5.13 116.55 115.78 2jop n ASP 54 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.38 2jop n ASP 54 Cb 0.00 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.02 2jop n ASP 54 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2jop s GLY 55 N 0.00 1.94 -1.00 6.12 0.00 -0.76 -4.97 107.32 108.65 2jop s GLY 55 Ca 0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 44.72 44.03 2jop s GLY 55 CO 0.00 1.24 2.03 -0.98 0.00 0.00 0.00 173.10 175.39 2jop s TRP 56 N 2.06 1.69 -0.39 1.90 0.52 -1.26 -2.49 118.94 120.97 2jop s TRP 56 Ca 0.24 0.96 -0.29 0.00 0.02 0.00 0.00 56.10 57.04 2jop s TRP 56 Cb -0.16 -3.86 0.02 0.00 -1.15 0.00 0.00 33.47 28.33 2jop s TRP 56 CO 0.09 -1.42 1.08 -1.01 0.02 0.00 0.00 176.95 175.71 2jop s HIS 57 N 11.86 3.00 -0.42 -1.98 3.76 0.11 -4.75 115.29 126.87 2jop s HIS 57 Ca 0.74 0.94 -0.27 0.00 -0.15 0.00 0.00 55.06 56.32 2jop s HIS 57 Cb -0.05 -3.99 0.02 0.00 1.11 0.00 0.00 32.58 29.67 2jop s HIS 57 CO 0.07 -0.98 1.01 -1.64 -0.85 0.00 0.00 174.74 172.35 2jop s MET 58 N 3.95 3.76 0.65 1.40 -1.94 -1.26 -1.02 119.30 124.85 2jop s MET 58 Ca 0.45 0.54 -0.02 0.00 -1.71 0.00 0.00 55.69 54.96 2jop s MET 58 Cb -0.10 -3.85 0.07 0.00 2.01 0.00 0.00 34.83 32.96 2jop s MET 58 CO 0.22 -1.13 0.92 0.14 -0.01 0.00 0.00 175.02 175.16 2jop s VAL 59 N 3.85 2.39 -2.00 -6.03 -7.23 -0.18 -1.02 120.40 110.17 2jop s VAL 59 Ca 0.42 -0.52 0.25 0.00 -1.81 0.00 0.00 61.98 60.32 2jop s VAL 59 Cb -0.10 -2.86 0.72 0.00 0.56 0.00 0.00 36.38 34.70 2jop s VAL 59 CO 0.24 0.00 1.91 0.00 -0.31 0.00 0.00 175.10 176.94 2jop n SER 61 N -0.95 0.00 -1.13 0.00 2.88 -1.26 -4.16 113.62 109.00 2jop n SER 61 Ca 0.19 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 2jop n SER 61 Cb 0.09 0.00 0.20 0.00 -0.75 0.00 0.00 64.21 63.75 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 1.86 -0.95 -1.46 10.64 -1.24 -4.81 117.38 121.42 2jop n GLN 62 Ca 0.00 -3.18 -0.29 0.00 -1.83 0.00 0.00 57.00 51.70 2jop n GLN 62 Cb 0.00 -1.81 0.23 0.00 -0.86 0.00 0.00 30.24 27.80 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 1.26 0.00 2.61 0.01 -1.26 -3.20 113.70 110.58 2jop s SER 63 Ca 0.44 0.97 0.00 0.00 1.31 0.00 0.00 55.95 58.68 2jop s SER 63 Cb 0.40 -1.47 0.00 0.00 0.21 0.00 0.00 66.02 65.16 2jop s SER 63 CO -0.00 -3.95 0.00 0.79 0.41 0.00 0.00 173.24 170.49 2jop n TRP 64 N -4.69 0.00 -2.72 2.43 8.01 0.14 -3.43 117.44 117.18 2jop n TRP 64 Ca 0.08 0.00 -0.08 0.00 -1.31 0.00 0.00 57.50 56.19 2jop n TRP 64 Cb 0.58 0.00 0.10 0.00 -2.01 0.00 0.00 31.31 29.98 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 0.74 3.09 6.99 0.00 -1.26 -4.07 105.19 110.68 2jop n GLY 65 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 0.24 2.25 0.06 1.61 1.81 -1.19 -4.89 118.95 118.84 2jop s ARG 66 Ca 0.22 -2.24 -0.30 0.00 -1.72 0.00 0.00 55.73 51.68 2jop s ARG 66 Cb 0.32 -3.62 -0.09 0.00 -0.45 0.00 0.00 34.95 31.12 2jop s ARG 66 CO -0.07 -1.12 1.77 -1.12 -0.68 0.00 0.00 175.30 174.09 2jop s SER 67 N 1.06 6.52 -0.62 0.23 0.01 -1.26 -4.78 113.70 114.86 2jop s SER 67 Ca 0.13 2.57 -0.26 0.00 1.31 0.00 0.00 55.95 59.71 2jop s SER 67 Cb -0.22 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.40 2jop s SER 67 CO -0.04 -0.96 2.15 -0.94 0.41 0.00 0.00 173.24 173.86 2jop s SER 68 N 3.07 4.76 0.00 2.44 1.04 -1.26 -4.87 113.70 118.87 2jop s SER 68 Ca 0.79 0.49 -0.25 0.00 0.48 0.00 0.00 55.95 57.46 2jop s SER 68 Cb -0.41 -2.52 0.06 0.00 0.10 0.00 0.00 66.02 63.24 2jop s SER 68 CO 0.35 -2.80 0.57 -0.75 0.98 0.00 0.00 173.24 171.59 2jop s LYS 69 N 7.75 1.01 -0.82 4.02 2.20 -1.26 -5.09 119.74 127.54 2jop s LYS 69 Ca 0.83 -0.02 -0.25 0.00 -0.36 0.00 0.00 55.97 56.17 2jop s LYS 69 Cb -0.14 0.47 -0.01 0.00 -1.51 0.00 0.00 37.83 36.64 2jop s LYS 69 CO 0.19 -0.34 1.70 -0.65 -0.36 0.00 0.00 175.35 175.90 2jop s GLN 70 N -1.79 2.91 0.15 4.03 -0.21 -1.26 -4.63 119.66 118.85 2jop s GLN 70 Ca -0.09 -0.22 0.00 0.00 0.02 0.00 0.00 55.36 55.07 2jop s GLN 70 Cb -0.01 -4.80 0.00 0.00 1.00 0.00 0.00 33.01 29.20 2jop s GLN 70 CO 0.04 -2.75 0.00 0.91 -2.12 0.00 0.00 175.29 171.37 2jop n TRP 71 N 11.78 -1.58 0.01 0.91 7.02 -1.26 -5.07 117.44 129.25 2jop n TRP 71 Ca 0.27 0.83 0.00 0.00 -1.02 0.00 0.00 57.50 57.58 2jop n TRP 71 Cb 0.50 -2.11 0.00 0.00 -2.42 0.00 0.00 31.31 27.28 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 -0.44 0.00 -3.19 -0.99 4.07 -1.26 -5.06 120.64 113.76 2jop n GLU 72 Ca 0.00 0.00 0.01 0.00 -0.06 0.00 0.00 57.16 57.11 2jop n GLU 72 Cb 0.00 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.37 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 -2.00 -1.43 -0.37 4.31 2.15 -1.26 -5.03 116.67 113.04 2jop s ASP 73 Ca 0.00 -0.36 0.05 0.00 0.43 0.00 0.00 52.55 52.66 2jop s ASP 73 Cb 0.00 1.93 0.60 0.00 -0.30 0.00 0.00 42.92 45.15 2jop s ASP 73 CO 0.00 -0.24 1.77 -0.81 -0.17 0.00 0.00 175.17 175.72 2jop n PRO 74 N 4.89 2.41 0.00 4.34 -0.04 -1.26 -4.77 135.00 140.57 2jop n PRO 74 Ca 0.08 -2.63 0.00 0.00 -0.04 0.00 0.00 63.50 60.91 2jop n PRO 74 Cb 0.55 -2.05 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 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 -0.73 0.00 0.00 3.54 3.41 -1.26 -4.26 113.62 114.33 2jop n SER 75 Ca 0.48 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.09 2jop n SER 75 Cb 1.46 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 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 0.00 4.33 1.13 -1.26 -4.56 117.38 117.02 2jop n GLN 76 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 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 2.35 0.10 -1.58 0.00 -1.26 -4.21 120.51 115.92 2jop n ALA 77 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2jop n ALA 77 Cb 0.00 -1.00 0.54 0.00 0.00 0.00 0.00 19.45 18.99 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 0.29 0.23 -0.31 0.00 0.87 -1.80 -1.91 113.55 110.91 2jop h SER 78 Ca 0.00 -0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 2jop h SER 78 Cb 0.84 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 2jop h SER 78 CO 0.00 0.16 -0.29 0.50 -0.53 0.00 0.00 176.83 176.67 2jop h LYS 79 N 0.27 0.83 -0.09 2.24 1.63 -1.77 -0.15 116.57 119.54 2jop h LYS 79 Ca 0.10 -0.38 -0.23 0.00 -0.85 0.00 0.00 60.65 59.29 2jop h LYS 79 Cb 0.09 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.71 2jop h LYS 79 CO -0.02 1.01 -0.87 -0.39 -3.45 0.00 0.00 179.45 175.73 2jop h VAL 80 N 0.70 1.29 0.00 2.00 -1.51 -1.50 0.14 116.25 117.37 2jop h VAL 80 Ca 0.08 -2.10 -0.17 0.00 -1.23 0.00 0.00 66.70 63.28 2jop h VAL 80 Cb 0.84 2.14 -0.02 0.00 -2.13 0.00 0.00 31.29 32.11 2jop h VAL 80 CO 0.07 0.66 -0.81 0.00 -1.23 0.00 0.00 177.57 176.26 2jop h GLN 82 N 0.00 0.45 -0.15 0.00 4.15 -0.67 0.26 115.11 119.14 2jop h GLN 82 Ca -0.01 -0.11 -0.06 0.00 0.77 0.00 0.00 58.65 59.25 2jop h GLN 82 Cb 1.49 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 29.10 2jop h GLN 82 CO 0.11 0.53 -0.16 -0.09 -1.93 0.00 0.00 178.83 177.29 2jop h ARG 83 N 0.42 0.25 -0.67 1.69 9.65 -0.30 -1.93 114.38 123.49 2jop h ARG 83 Ca 0.09 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2jop h ARG 83 Cb 0.39 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2jop h ARG 83 CO 0.02 0.42 0.00 1.28 2.80 0.00 0.00 179.97 184.49 2jop n LEU 84 N -4.24 4.50 -2.53 3.80 4.77 -0.52 -4.91 117.00 117.87 2jop n LEU 84 Ca -0.01 -2.28 -0.11 0.00 -0.03 0.00 0.00 56.01 53.58 2jop n LEU 84 Cb 0.30 -0.62 -0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2jop n LEU 84 CO 0.38 0.56 -0.12 -0.46 -1.33 0.00 0.00 177.39 176.42 2jop n ASN 85 N 0.53 -3.32 -1.12 -1.43 0.23 -0.68 -4.81 115.26 104.66 2jop n ASN 85 Ca 0.21 0.21 0.08 0.00 -0.53 0.00 0.00 54.58 54.55 2jop n ASN 85 Cb 0.94 -2.85 0.27 0.00 -2.08 0.00 0.00 39.78 36.06 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 0.69 2.28 3.87 0.00 0.00 -1.22 -4.32 105.19 106.50 2jop n GLY 87 Ca 0.20 -0.38 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 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 4.28 0.53 1.61 1.01 -1.26 -2.43 116.67 116.40 2jop s ASP 88 Ca 0.00 0.84 -0.18 0.00 0.71 0.00 0.00 52.55 53.92 2jop s ASP 88 Cb 0.00 -1.37 -0.07 0.00 1.01 0.00 0.00 42.92 42.50 2jop s ASP 88 CO 0.00 -2.06 1.05 -2.16 0.21 0.00 0.00 175.17 172.21 2jop s PRO 89 N -5.49 3.62 -0.40 8.23 0.04 -1.26 -0.84 135.00 138.89 2jop s PRO 89 Ca 0.62 1.30 -0.35 0.00 0.04 0.00 0.00 61.00 62.62 2jop s PRO 89 Cb -0.12 -2.07 -0.15 0.00 0.04 0.00 0.00 34.50 32.20 2jop s PRO 89 CO 0.50 -0.58 1.68 1.28 0.04 0.00 0.00 177.00 179.92 2jop n LEU 90 N -1.37 0.61 -4.77 -3.56 4.32 -1.23 -0.22 117.00 110.77 2jop n LEU 90 Ca 0.09 0.56 -0.34 0.00 -0.02 0.00 0.00 56.01 56.30 2jop n LEU 90 Cb 0.53 -0.71 0.03 0.00 -1.62 0.00 0.00 43.42 41.65 2jop n LEU 90 CO 0.43 -0.61 0.77 -0.94 -1.22 0.00 0.00 177.39 175.81 2jop s SER 91 N 4.65 5.26 0.17 -1.43 1.04 0.55 -4.38 113.70 119.56 2jop s SER 91 Ca 0.95 2.11 -0.08 0.00 0.48 0.00 0.00 55.95 59.40 2jop s SER 91 Cb -1.19 -2.57 -0.06 0.00 0.10 0.00 0.00 66.02 62.30 2jop s SER 91 CO 0.53 -1.53 0.47 -0.76 0.98 0.00 0.00 173.24 172.93 2jop s LEU 92 N -4.47 4.24 0.00 2.42 1.43 -1.26 -1.77 118.68 119.28 2jop s LEU 92 Ca 0.70 0.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.61 2jop s LEU 92 Cb -0.23 -3.42 0.00 0.00 0.03 0.00 0.00 46.19 42.57 2jop s LEU 92 CO 0.36 0.02 0.00 0.61 0.23 0.00 0.00 176.35 177.57 2jop n GLY 93 N 0.18 2.75 3.64 -3.19 0.00 -0.86 -4.36 105.19 103.35 2jop n GLY 93 Ca -0.02 0.09 -0.48 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.03 1.79 -4.46 1.61 -0.04 -1.26 -0.30 135.00 132.31 2jop n PRO 94 Ca 0.00 0.65 -0.22 0.00 -0.04 0.00 0.00 63.50 63.88 2jop n PRO 94 Cb 0.00 -2.38 -0.11 0.00 -0.04 0.00 0.00 33.50 30.98 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 0.95 2.03 0.44 0.54 5.36 0.25 -4.63 117.98 122.92 2jop s PHE 95 Ca 0.82 -0.82 -0.25 0.00 -0.96 0.00 0.00 56.93 55.72 2jop s PHE 95 Cb -0.78 -1.29 -0.08 0.00 -0.34 0.00 0.00 43.02 40.53 2jop s PHE 95 CO 0.42 0.17 1.33 -1.17 -1.46 0.00 0.00 175.22 174.51 2jop s LEU 96 N -3.50 4.11 -0.27 6.12 2.96 -1.26 -4.78 118.68 122.06 2jop s LEU 96 Ca 0.34 2.70 -0.29 0.00 -0.22 0.00 0.00 54.13 56.66 2jop s LEU 96 Cb 0.07 -4.00 -0.03 0.00 0.50 0.00 0.00 46.19 42.73 2jop s LEU 96 CO 0.14 -1.05 1.78 -1.59 -1.32 0.00 0.00 176.35 174.32 2jop s LYS 97 N -2.44 3.50 -0.01 1.98 -2.85 -1.26 -4.81 119.74 113.85 2jop s LYS 97 Ca 0.61 1.59 0.11 0.00 -1.00 0.00 0.00 55.97 57.28 2jop s LYS 97 Cb -0.39 -4.16 -0.14 0.00 -2.06 0.00 0.00 37.83 31.09 2jop s LYS 97 CO 0.49 -1.66 0.39 2.41 0.10 0.00 0.00 175.35 177.07 2jop n THR 98 N 7.08 0.00 -2.65 3.79 -1.04 -1.26 -5.03 114.28 115.17 2jop n THR 98 Ca 0.22 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.05 61.82 2jop n THR 98 Cb 0.46 0.74 0.08 0.00 -1.82 0.00 0.00 70.33 69.79 2jop n THR 98 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jop n TYR 99 N -1.47 -2.90 -3.58 -1.42 0.18 -1.26 -4.96 117.16 101.74 2jop n TYR 99 Ca 0.01 -1.36 -0.15 0.00 1.88 0.00 0.00 57.90 58.28 2jop n TYR 99 Cb 0.21 -0.50 -0.13 0.00 -0.38 0.00 0.00 39.34 38.54 2jop n TYR 99 CO 0.00 0.00 0.00 -0.08 -2.08 0.00 0.00 176.86 174.70 2jop s THR 100 N -2.06 -0.39 -0.89 -3.48 -1.32 -1.26 -5.04 115.64 101.21 2jop s THR 100 Ca 0.48 0.12 -0.25 0.00 -1.21 0.00 0.00 61.69 60.82 2jop s THR 100 Cb -0.03 -0.55 -0.18 0.00 -1.51 0.00 0.00 72.50 70.23 2jop s THR 100 CO 0.31 -0.01 2.29 -0.81 -2.21 0.00 0.00 174.62 174.19 2jop n PRO 101 N 5.34 0.37 0.00 7.08 -0.04 -1.26 -0.63 135.00 145.86 2jop n PRO 101 Ca -0.06 -1.12 0.00 0.00 -0.04 0.00 0.00 63.50 62.29 2jop n PRO 101 Cb 0.50 -3.68 0.00 0.00 -0.04 0.00 0.00 33.50 30.28 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 8.43 0.00 0.04 0.54 7.27 -1.26 -4.90 117.38 127.50 2jop n GLN 102 Ca 0.45 0.00 0.11 0.00 0.07 0.00 0.00 57.00 57.63 2jop n GLN 102 Cb 0.44 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.02 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 0.47 -4.83 1.69 3.41 -1.10 -4.77 113.62 108.49 2jop n SER 103 Ca 0.00 0.01 -0.33 0.00 -0.26 0.00 0.00 58.87 58.30 2jop n SER 103 Cb 0.00 1.14 -0.05 0.00 -0.26 0.00 0.00 64.21 65.04 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 -4.58 6.77 0.14 4.04 0.15 0.20 -4.64 113.70 115.77 2jop s SER 104 Ca -0.02 1.62 0.05 0.00 0.70 0.00 0.00 55.95 58.30 2jop s SER 104 Cb 0.13 -2.52 -0.04 0.00 -1.71 0.00 0.00 66.02 61.87 2jop s SER 104 CO 0.84 -0.49 -0.12 0.27 1.20 0.00 0.00 173.24 174.95 2jop s ILE 105 N -2.42 1.22 -0.26 6.45 -5.25 -0.19 -2.15 121.20 118.59 2jop s ILE 105 Ca 0.60 -1.90 0.02 0.00 -0.99 0.00 0.00 60.65 58.38 2jop s ILE 105 Cb -0.09 -1.69 0.07 0.00 2.95 0.00 0.00 42.46 43.70 2jop s ILE 105 CO 0.23 -0.61 -0.05 -0.63 -1.79 0.00 0.00 174.94 172.10 2jop s ILE 106 N -2.80 1.82 0.55 8.37 1.01 0.81 -2.09 121.20 128.87 2jop s ILE 106 Ca 0.13 -1.55 -0.05 0.00 0.00 0.00 0.00 60.65 59.18 2jop s ILE 106 Cb -0.01 -2.09 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2jop s ILE 106 CO 0.02 -0.19 0.84 0.00 0.00 0.00 0.00 174.94 175.60 2jop n TYR 108 N -2.45 -1.00 0.00 0.00 4.01 -1.26 0.25 117.16 116.72 2jop n TYR 108 Ca 0.03 -2.72 0.00 0.00 -0.16 0.00 0.00 57.90 55.05 2jop n TYR 108 Cb 0.57 0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.98 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 -0.63 0.18 3.72 2.72 0.00 -1.26 -4.71 105.19 105.22 2jop n GLY 109 Ca 0.06 -1.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.01 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 4.23 -0.25 1.61 0.74 -1.26 -4.69 119.66 120.04 2jop s GLN 110 Ca 0.00 -0.00 -0.33 0.00 0.05 0.00 0.00 55.36 55.08 2jop s GLN 110 Cb 0.00 -3.43 -0.10 0.00 1.10 0.00 0.00 33.01 30.58 2jop s GLN 110 CO 0.00 0.23 2.12 -0.11 -0.55 0.00 0.00 175.29 176.99 2jop n LEU 111 N 3.64 2.74 0.00 3.68 7.94 -1.26 -1.46 117.00 132.27 2jop n LEU 111 Ca -0.13 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.26 2jop n LEU 111 Cb 0.52 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.10 2jop n LEU 111 CO 0.39 -0.57 0.00 0.61 -1.11 0.00 0.00 177.39 176.71 2jop n GLY 112 N 5.81 2.53 3.43 -3.96 0.00 -1.26 -5.03 105.19 106.71 2jop n GLY 112 Ca 0.34 -0.72 -0.44 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.25 6.18 -0.32 1.61 0.01 -0.54 -3.76 113.70 116.64 2jop s SER 113 Ca 0.00 -1.11 -0.00 0.00 1.31 0.00 0.00 55.95 56.15 2jop s SER 113 Cb 0.00 -2.37 0.27 0.00 0.21 0.00 0.00 66.02 64.12 2jop s SER 113 CO 0.00 -1.30 1.87 0.49 0.41 0.00 0.00 173.24 174.71 2jop n PHE 114 N 7.17 1.67 0.64 2.43 3.01 0.91 -4.31 117.46 128.98 2jop n PHE 114 Ca -0.06 -1.83 0.12 0.00 1.01 0.00 0.00 57.45 56.69 2jop n PHE 114 Cb 0.44 -0.90 0.21 0.00 -0.01 0.00 0.00 39.48 39.23 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 0.07 0.67 -3.74 4.37 7.64 -1.26 -4.90 113.62 116.47 2jop n SER 115 Ca 0.32 0.13 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 2jop n SER 115 Cb 0.73 0.07 -0.11 0.00 -1.01 0.00 0.00 64.21 63.89 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 -4.08 -0.38 0.25 6.43 2.47 -1.26 -5.07 114.94 113.31 2jop s ASN 116 Ca 0.07 0.72 0.06 0.00 0.42 0.00 0.00 52.86 54.13 2jop s ASN 116 Cb 0.14 0.70 -0.02 0.00 -1.45 0.00 0.00 41.25 40.62 2jop s ASN 116 CO 0.70 -0.14 0.20 0.00 -3.72 0.00 0.00 177.10 174.15 2jop s SER 118 N -2.74 0.04 0.45 0.00 0.01 -1.02 -4.88 113.70 105.57 2jop s SER 118 Ca 0.28 -0.57 -0.24 0.00 1.31 0.00 0.00 55.95 56.74 2jop s SER 118 Cb 0.01 0.36 -0.08 0.00 0.21 0.00 0.00 66.02 66.53 2jop s SER 118 CO 0.20 -0.75 1.26 -1.00 0.41 0.00 0.00 173.24 173.37 2jop s HIS 119 N -3.78 2.76 -0.67 2.43 3.76 -1.26 -0.14 115.29 118.39 2jop s HIS 119 Ca 0.04 1.45 -0.26 0.00 -0.15 0.00 0.00 55.06 56.14 2jop s HIS 119 Cb 0.04 -3.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.13 2jop s HIS 119 CO -0.11 -2.00 1.78 0.45 -0.85 0.00 0.00 174.74 174.01 2jop s SER 120 N -1.00 5.40 0.00 1.40 0.15 -0.92 -4.36 113.70 114.37 2jop s SER 120 Ca 0.62 0.09 0.28 0.00 0.70 0.00 0.00 55.95 57.63 2jop s SER 120 Cb -0.35 -2.54 1.05 0.00 -1.71 0.00 0.00 66.02 62.47 2jop s SER 120 CO 0.44 -2.33 1.75 0.54 1.20 0.00 0.00 173.24 174.84 2jop n ARG 121 N 9.18 0.75 -4.22 5.44 5.12 -1.26 -4.09 116.66 127.58 2jop n ARG 121 Ca 0.20 -0.34 -0.28 0.00 -1.93 0.00 0.00 57.85 55.50 2jop n ARG 121 Cb 0.51 -1.49 -0.09 0.00 -1.16 0.00 0.00 32.46 30.23 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 -2.48 4.58 0.14 0.55 0.01 -1.26 -5.03 114.94 111.45 2jop s ASN 122 Ca 0.27 -0.39 -0.04 0.00 -0.71 0.00 0.00 52.86 51.99 2jop s ASN 122 Cb 0.20 -0.92 -0.05 0.00 0.41 0.00 0.00 41.25 40.88 2jop s ASN 122 CO 0.49 0.14 1.34 -0.78 -1.51 0.00 0.00 177.10 176.78 2jop h ASP 123 N 3.18 0.56 -3.43 -1.22 1.82 -1.95 -3.42 116.42 111.96 2jop h ASP 123 Ca -0.48 -0.41 -0.26 0.00 -0.39 0.00 0.00 57.03 55.49 2jop h ASP 123 Cb 1.18 -0.17 -0.33 0.00 0.68 0.00 0.00 39.33 40.70 2jop h ASP 123 CO 0.55 1.19 -0.64 0.00 -1.61 0.00 0.00 179.24 178.74 2jop s MET 124 N -3.43 0.05 -0.19 0.28 0.23 -1.26 -4.65 119.30 110.34 2jop s MET 124 Ca -0.06 0.34 0.09 0.00 -1.03 0.00 0.00 55.69 55.03 2jop s MET 124 Cb 0.09 -0.21 0.58 0.00 -1.53 0.00 0.00 34.83 33.77 2jop s MET 124 CO 0.86 -0.18 1.43 0.00 -2.03 0.00 0.00 175.02 175.11 2jop n HIS 126 N 0.32 0.00 -2.90 0.00 8.25 -1.26 -4.60 115.22 115.03 2jop n HIS 126 Ca 0.23 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.57 2jop n HIS 126 Cb 0.99 0.00 0.06 0.00 1.12 0.00 0.00 29.99 32.15 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 1.29 -3.97 -4.56 0.41 7.64 -1.26 -4.57 113.62 108.59 2jop n SER 127 Ca 0.00 -0.49 -0.40 0.00 1.01 0.00 0.00 58.87 58.98 2jop n SER 127 Cb 0.00 -3.95 -0.04 0.00 -1.01 0.00 0.00 64.21 59.21 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 -3.00 2.65 0.00 -3.43 7.94 -1.26 -0.59 117.00 119.31 2jop n LEU 128 Ca -0.12 -0.12 -0.25 0.00 -1.11 0.00 0.00 56.01 54.41 2jop n LEU 128 Cb 0.60 -1.53 0.16 0.00 0.53 0.00 0.00 43.42 43.18 2jop n LEU 128 CO 0.44 -1.11 0.71 0.61 -1.11 0.00 0.00 177.39 176.93 2jop n GLY 129 N 5.96 -0.91 2.97 -3.96 0.00 0.59 -3.59 105.19 106.25 2jop n GLY 129 Ca 0.35 -1.79 -0.10 0.00 0.00 0.00 0.00 46.02 44.49 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 2.12 -0.28 0.99 1.43 -1.25 -2.03 118.68 119.66 2jop s LEU 130 Ca 0.65 -0.37 0.02 0.00 -1.03 0.00 0.00 54.13 53.40 2jop s LEU 130 Cb -0.02 0.14 0.17 0.00 0.03 0.00 0.00 46.19 46.51 2jop s LEU 130 CO 0.45 -0.25 0.47 -0.89 0.23 0.00 0.00 176.35 176.37 2jop s THR 131 N -1.17 -0.77 -0.55 5.49 2.01 -0.73 -2.15 115.64 117.77 2jop s THR 131 Ca -0.13 -0.14 -0.34 0.00 0.31 0.00 0.00 61.69 61.39 2jop s THR 131 Cb -0.08 -0.96 -0.14 0.00 0.01 0.00 0.00 72.50 71.32 2jop s THR 131 CO -0.01 -0.15 2.34 0.00 -0.69 0.00 0.00 174.62 176.11 2jop n LEU 133 N 10.56 0.00 0.00 0.00 7.94 0.69 -4.62 117.00 131.57 2jop n LEU 133 Ca 0.49 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.39 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 0.82 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.26