#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 2.93 -0.03 2.89 1.43 -1.26 -4.66 118.68 119.98 2jop s LEU 26 Ca 0.00 -1.48 -0.09 0.00 -1.03 0.00 0.00 54.13 51.54 2jop s LEU 26 Cb 0.00 -2.59 0.01 0.00 0.03 0.00 0.00 46.19 43.64 2jop s LEU 26 CO 0.00 -3.38 0.19 -0.94 0.23 0.00 0.00 176.35 172.45 2jop s SER 27 N 6.98 -0.09 -0.01 2.29 1.04 -1.26 -0.37 113.70 122.27 2jop s SER 27 Ca 0.71 0.05 0.02 0.00 0.48 0.00 0.00 55.95 57.21 2jop s SER 27 Cb -0.02 0.30 0.08 0.00 0.10 0.00 0.00 66.02 66.48 2jop s SER 27 CO 0.13 -0.29 0.83 -2.67 0.98 0.00 0.00 173.24 172.23 2jop n TRP 28 N 1.92 0.17 -0.01 5.02 4.27 -1.23 -1.97 117.44 125.61 2jop n TRP 28 Ca -0.19 -0.07 0.00 0.00 -3.89 0.00 0.00 57.50 53.35 2jop n TRP 28 Cb 0.57 -0.08 0.00 0.00 -1.36 0.00 0.00 31.31 30.44 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 -0.09 0.00 -3.35 -2.67 0.18 -1.26 -4.03 117.16 105.95 2jop n TYR 29 Ca 0.03 -0.39 -0.38 0.00 1.88 0.00 0.00 57.90 59.03 2jop n TYR 29 Cb 0.22 -0.04 -0.07 0.00 -0.38 0.00 0.00 39.34 39.07 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 -0.78 6.50 0.06 9.48 -1.08 -0.83 -4.83 116.67 125.18 2jop s ASP 30 Ca 0.00 0.59 0.14 0.00 -0.52 0.00 0.00 52.55 52.75 2jop s ASP 30 Cb 0.00 -2.25 0.59 0.00 -1.46 0.00 0.00 42.92 39.80 2jop s ASP 30 CO 0.00 -0.09 1.43 -2.65 0.52 0.00 0.00 175.17 174.37 2jop n PRO 31 N 4.46 0.04 0.00 4.34 -0.02 -1.26 -1.83 135.00 140.72 2jop n PRO 31 Ca -0.07 0.35 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 2jop n PRO 31 Cb 0.51 -1.59 -0.03 0.00 -0.02 0.00 0.00 33.50 32.37 2jop n PRO 31 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2jop n ASP 32 N -1.67 1.23 -4.78 2.55 2.03 -1.26 -4.98 116.55 109.68 2jop n ASP 32 Ca 0.02 -1.12 -0.39 0.00 0.52 0.00 0.00 54.79 53.83 2jop n ASP 32 Cb 0.14 0.64 -0.06 0.00 -0.72 0.00 0.00 41.12 41.12 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 -1.94 3.86 -0.37 -0.67 5.36 -0.76 -5.02 117.98 118.44 2jop s PHE 33 Ca 0.10 1.68 -0.26 0.00 -0.96 0.00 0.00 56.93 57.48 2jop s PHE 33 Cb 0.11 -2.81 0.02 0.00 -0.34 0.00 0.00 43.02 40.00 2jop s PHE 33 CO 0.43 0.43 0.96 -0.65 -1.46 0.00 0.00 175.22 174.94 2jop s GLN 34 N -1.41 3.87 -0.06 10.12 1.11 -1.26 -4.94 119.66 127.09 2jop s GLN 34 Ca 0.40 0.65 -0.09 0.00 0.01 0.00 0.00 55.36 56.33 2jop s GLN 34 Cb -0.22 -3.80 0.02 0.00 -1.01 0.00 0.00 33.01 28.00 2jop s GLN 34 CO 0.26 -0.97 0.23 0.00 0.01 0.00 0.00 175.29 174.82 2jop s ALA 35 N 3.56 -0.56 0.05 6.09 0.00 -1.26 -2.35 121.76 127.29 2jop s ALA 35 Ca 0.40 0.46 -0.15 0.00 0.00 0.00 0.00 51.96 52.67 2jop s ALA 35 Cb -0.12 -0.23 0.05 0.00 0.00 0.00 0.00 23.12 22.83 2jop s ALA 35 CO 0.19 -0.15 0.70 2.89 0.00 0.00 0.00 175.76 179.39 2jop n ARG 36 N 2.42 0.26 -3.40 0.00 1.85 -0.66 -4.93 116.66 112.20 2jop n ARG 36 Ca -0.16 -0.69 -0.19 0.00 -1.00 0.00 0.00 57.85 55.81 2jop n ARG 36 Cb 0.57 1.01 -0.00 0.00 -1.05 0.00 0.00 32.46 32.99 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 3.93 0.00 2.89 1.43 -1.26 -0.22 118.68 125.45 2jop s LEU 37 Ca 0.16 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2jop s LEU 37 Cb -0.01 -2.77 0.04 0.00 0.03 0.00 0.00 46.19 43.49 2jop s LEU 37 CO 0.02 -0.48 0.26 0.35 0.23 0.00 0.00 176.35 176.73 2jop n THR 38 N -1.68 0.00 -1.27 5.49 -2.24 0.51 -4.65 114.28 110.43 2jop n THR 38 Ca 0.01 -0.26 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 2jop n THR 38 Cb 0.58 -1.66 -0.02 0.00 -2.10 0.00 0.00 70.33 67.13 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 -1.52 2.79 -0.48 -0.78 1.85 -1.26 -4.48 116.66 112.78 2jop n ARG 39 Ca 0.04 -2.09 0.07 0.00 -1.00 0.00 0.00 57.85 54.86 2jop n ARG 39 Cb 0.12 -2.87 0.27 0.00 -1.05 0.00 0.00 32.46 28.93 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 4.96 3.69 -1.49 2.89 7.64 -1.26 -4.90 113.62 125.16 2jop n SER 40 Ca 0.60 -2.36 -0.16 0.00 1.01 0.00 0.00 58.87 57.95 2jop n SER 40 Cb 0.28 -0.51 -0.05 0.00 -1.01 0.00 0.00 64.21 62.92 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 0.72 -4.92 -3.67 6.43 4.13 -1.26 -4.93 115.26 111.76 2jop n ASN 41 Ca 0.19 0.24 -0.09 0.00 1.68 0.00 0.00 54.58 56.60 2jop n ASN 41 Cb 0.71 -3.93 -0.10 0.00 -1.54 0.00 0.00 39.78 34.93 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 -2.61 -0.41 0.16 6.41 0.01 -1.26 -5.03 113.70 110.97 2jop s SER 42 Ca 0.00 1.00 0.27 0.00 1.31 0.00 0.00 55.95 58.53 2jop s SER 42 Cb 0.00 1.19 0.92 0.00 0.21 0.00 0.00 66.02 68.34 2jop s SER 42 CO 0.00 -0.22 1.81 0.29 0.41 0.00 0.00 173.24 175.53 2jop n LYS 43 N 4.95 0.19 -0.09 12.44 4.76 -1.26 -2.62 118.16 136.53 2jop n LYS 43 Ca -0.14 0.17 0.06 0.00 -2.87 0.00 0.00 58.31 55.52 2jop n LYS 43 Cb 0.52 -1.73 0.10 0.00 -1.84 0.00 0.00 35.03 32.09 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 -2.06 0.15 0.00 0.00 -0.21 -1.08 -0.35 119.66 116.11 2jop s GLN 45 Ca 0.21 0.60 0.00 0.00 0.02 0.00 0.00 55.36 56.19 2jop s GLN 45 Cb 0.17 -0.12 0.00 0.00 1.00 0.00 0.00 33.01 34.07 2jop s GLN 45 CO 0.04 -0.22 0.00 0.41 -2.12 0.00 0.00 175.29 173.39 2jop n GLY 46 N 4.76 0.81 3.88 3.09 0.00 -1.00 -4.04 105.19 112.69 2jop n GLY 46 Ca -0.16 -1.18 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 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 3.61 0.09 1.61 -0.21 -1.26 -3.72 119.66 117.78 2jop s GLN 47 Ca 0.00 0.60 -0.30 0.00 0.02 0.00 0.00 55.36 55.68 2jop s GLN 47 Cb 0.00 -2.18 -0.06 0.00 1.00 0.00 0.00 33.01 31.78 2jop s GLN 47 CO 0.00 -0.43 1.05 -1.17 -2.12 0.00 0.00 175.29 172.62 2jop s LEU 48 N -4.94 4.44 -0.14 2.90 2.96 -1.26 -0.36 118.68 122.27 2jop s LEU 48 Ca 0.53 1.89 -0.01 0.00 -0.22 0.00 0.00 54.13 56.32 2jop s LEU 48 Cb -0.11 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 43.03 2jop s LEU 48 CO 0.49 -0.23 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.56 2jop s GLU 49 N 0.35 1.14 -0.00 1.98 2.12 0.69 -1.20 118.70 123.78 2jop s GLU 49 Ca 0.51 -0.30 0.04 0.00 0.36 0.00 0.00 54.97 55.58 2jop s GLU 49 Cb -0.26 -1.70 -0.01 0.00 0.26 0.00 0.00 34.13 32.42 2jop s GLU 49 CO 0.31 -0.40 -0.12 0.14 -0.54 0.00 0.00 175.26 174.64 2jop s VAL 50 N 1.76 0.98 -0.36 3.70 -7.23 -0.60 -1.65 120.40 117.01 2jop s VAL 50 Ca 0.02 -0.58 -0.17 0.00 -1.81 0.00 0.00 61.98 59.44 2jop s VAL 50 Cb -0.14 -0.83 -0.00 0.00 0.56 0.00 0.00 36.38 35.97 2jop s VAL 50 CO -0.07 0.24 0.47 -0.47 -0.31 0.00 0.00 175.10 174.95 2jop s TYR 51 N -0.36 3.18 -0.07 2.82 5.04 -0.99 -0.00 117.35 126.97 2jop s TYR 51 Ca 0.04 0.07 -0.22 0.00 -2.44 0.00 0.00 57.07 54.52 2jop s TYR 51 Cb -0.05 -2.87 0.05 0.00 0.35 0.00 0.00 41.96 39.44 2jop s TYR 51 CO -0.00 -0.54 0.50 -0.48 -1.34 0.00 0.00 175.55 173.69 2jop s LEU 52 N 2.29 0.08 0.00 6.97 -0.00 -0.76 -4.60 118.68 122.66 2jop s LEU 52 Ca 0.16 0.55 0.00 0.00 -0.00 0.00 0.00 54.13 54.84 2jop s LEU 52 Cb -0.16 1.87 0.00 0.00 -0.00 0.00 0.00 46.19 47.90 2jop s LEU 52 CO 0.13 -0.45 0.00 1.17 -0.00 0.00 0.00 176.35 177.20 2jop n LYS 53 N 1.48 0.00 0.00 1.48 3.00 -1.26 -1.63 118.16 121.23 2jop n LYS 53 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 2jop n LYS 53 Cb 0.56 -0.26 0.00 0.00 0.00 0.00 0.00 35.03 35.33 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 0.95 0.00 -4.65 3.14 5.68 -1.26 -5.15 116.55 115.26 2jop n ASP 54 Ca 0.00 0.00 -0.35 0.00 -0.50 0.00 0.00 54.79 53.94 2jop n ASP 54 Cb 0.00 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 39.89 2jop n ASP 54 CO 0.00 0.00 0.00 -0.83 -1.33 0.00 0.00 177.20 175.04 2jop s GLY 55 N 0.00 1.92 -1.02 6.12 0.00 -0.64 -5.00 107.32 108.69 2jop s GLY 55 Ca 0.00 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.74 2jop s GLY 55 CO 0.00 -0.01 2.00 -0.98 0.00 0.00 0.00 173.10 174.12 2jop s TRP 56 N 0.21 1.74 -0.37 1.90 0.52 -1.26 -1.82 118.94 119.85 2jop s TRP 56 Ca 0.04 0.87 -0.25 0.00 0.02 0.00 0.00 56.10 56.78 2jop s TRP 56 Cb -0.12 -3.89 0.01 0.00 -1.15 0.00 0.00 33.47 28.32 2jop s TRP 56 CO 0.00 -1.40 0.88 -1.01 0.02 0.00 0.00 176.95 175.45 2jop s HIS 57 N 11.64 3.08 -0.47 -1.98 3.76 1.00 -4.79 115.29 127.53 2jop s HIS 57 Ca 0.73 0.68 -0.29 0.00 -0.15 0.00 0.00 55.06 56.03 2jop s HIS 57 Cb -0.05 -3.59 0.02 0.00 1.11 0.00 0.00 32.58 30.07 2jop s HIS 57 CO 0.08 -0.82 1.33 -1.64 -0.85 0.00 0.00 174.74 172.84 2jop s MET 58 N 3.37 3.56 0.72 1.40 -1.94 -1.26 -1.55 119.30 123.60 2jop s MET 58 Ca 0.36 0.72 -0.03 0.00 -1.71 0.00 0.00 55.69 55.02 2jop s MET 58 Cb -0.12 -4.01 0.11 0.00 2.01 0.00 0.00 34.83 32.81 2jop s MET 58 CO 0.19 -1.60 1.00 0.14 -0.01 0.00 0.00 175.02 174.74 2jop s VAL 59 N 5.28 2.23 -1.97 -6.03 -7.23 -0.34 -1.61 120.40 110.73 2jop s VAL 59 Ca 0.55 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 60.29 2jop s VAL 59 Cb -0.11 -2.75 0.15 0.00 0.56 0.00 0.00 36.38 34.23 2jop s VAL 59 CO 0.31 0.00 1.12 0.00 -0.31 0.00 0.00 175.10 176.21 2jop n SER 61 N -0.00 0.00 -2.07 0.00 7.64 -1.26 -3.58 113.62 114.34 2jop n SER 61 Ca 0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.82 2jop n SER 61 Cb 0.15 0.00 0.26 0.00 -1.01 0.00 0.00 64.21 63.61 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 3.20 -0.64 1.43 10.64 -1.25 -4.91 117.38 125.85 2jop n GLN 62 Ca 0.00 -3.07 -0.29 0.00 -1.83 0.00 0.00 57.00 51.81 2jop n GLN 62 Cb 0.00 -2.20 0.25 0.00 -0.86 0.00 0.00 30.24 27.43 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 -1.16 0.68 0.00 2.61 0.01 -1.26 -2.90 113.70 111.68 2jop s SER 63 Ca 0.56 1.23 0.00 0.00 1.31 0.00 0.00 55.95 59.05 2jop s SER 63 Cb 0.45 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.81 2jop s SER 63 CO 0.12 -4.34 0.00 0.79 0.41 0.00 0.00 173.24 170.22 2jop n TRP 64 N -4.99 0.00 -2.70 2.43 8.01 0.18 -3.74 117.44 116.63 2jop n TRP 64 Ca 0.06 0.00 -0.06 0.00 -1.31 0.00 0.00 57.50 56.18 2jop n TRP 64 Cb 0.56 0.00 0.09 0.00 -2.01 0.00 0.00 31.31 29.96 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 -0.37 3.37 6.99 0.00 -1.26 -3.42 105.19 110.50 2jop n GLY 65 Ca 0.00 0.40 -0.35 0.00 0.00 0.00 0.00 46.02 46.07 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 0.22 3.49 0.26 1.61 1.81 -1.14 -4.85 118.95 120.35 2jop s ARG 66 Ca 0.23 -0.57 -0.30 0.00 -1.72 0.00 0.00 55.73 53.37 2jop s ARG 66 Cb 0.28 -3.09 -0.10 0.00 -0.45 0.00 0.00 34.95 31.60 2jop s ARG 66 CO -0.13 -0.14 1.29 -1.12 -0.68 0.00 0.00 175.30 174.52 2jop s SER 67 N 1.39 6.89 -0.66 0.23 0.01 -1.26 -4.87 113.70 115.42 2jop s SER 67 Ca 0.05 2.50 -0.27 0.00 1.31 0.00 0.00 55.95 59.54 2jop s SER 67 Cb -0.15 -2.63 -0.00 0.00 0.21 0.00 0.00 66.02 63.46 2jop s SER 67 CO -0.00 -0.49 1.65 -0.44 0.41 0.00 0.00 173.24 174.37 2jop s SER 68 N -0.13 5.60 -0.13 2.44 0.01 -1.26 -4.90 113.70 115.32 2jop s SER 68 Ca 0.52 0.04 -0.29 0.00 1.31 0.00 0.00 55.95 57.53 2jop s SER 68 Cb -0.37 -2.54 0.09 0.00 0.21 0.00 0.00 66.02 63.41 2jop s SER 68 CO 0.44 -2.18 0.82 -0.75 0.41 0.00 0.00 173.24 171.98 2jop s LYS 69 N 6.56 0.83 -0.76 12.44 2.20 -1.26 -5.10 119.74 134.65 2jop s LYS 69 Ca 0.55 0.34 -0.25 0.00 -0.36 0.00 0.00 55.97 56.26 2jop s LYS 69 Cb -0.11 0.39 0.05 0.00 -1.51 0.00 0.00 37.83 36.66 2jop s LYS 69 CO 0.18 -0.23 1.18 -0.65 -0.36 0.00 0.00 175.35 175.48 2jop s GLN 70 N -0.84 3.24 0.10 4.03 -0.21 -1.26 -4.70 119.66 120.01 2jop s GLN 70 Ca -0.05 -0.64 0.00 0.00 0.02 0.00 0.00 55.36 54.69 2jop s GLN 70 Cb -0.01 -4.38 0.00 0.00 1.00 0.00 0.00 33.01 29.62 2jop s GLN 70 CO 0.05 -2.02 0.00 0.91 -2.12 0.00 0.00 175.29 172.10 2jop n TRP 71 N 8.59 -1.07 0.00 0.91 7.02 -1.26 -5.07 117.44 126.56 2jop n TRP 71 Ca 0.06 0.56 0.00 0.00 -1.02 0.00 0.00 57.50 57.10 2jop n TRP 71 Cb 0.48 -1.87 0.00 0.00 -2.42 0.00 0.00 31.31 27.50 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 -0.49 0.00 -3.15 -0.99 4.07 -1.26 -5.08 120.64 113.74 2jop n GLU 72 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 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 -1.51 -1.08 -0.36 4.31 2.15 -1.26 -5.04 116.67 113.88 2jop s ASP 73 Ca 0.00 0.23 0.03 0.00 0.43 0.00 0.00 52.55 53.25 2jop s ASP 73 Cb 0.00 1.73 0.54 0.00 -0.30 0.00 0.00 42.92 44.89 2jop s ASP 73 CO 0.00 -0.20 1.74 -0.81 -0.17 0.00 0.00 175.17 175.73 2jop n PRO 74 N 5.32 2.05 0.00 4.34 -0.04 -1.26 -4.73 135.00 140.68 2jop n PRO 74 Ca 0.05 -2.44 0.00 0.00 -0.04 0.00 0.00 63.50 61.07 2jop n PRO 74 Cb 0.55 -1.96 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.81 0.00 0.00 3.54 3.41 -1.26 -4.30 113.62 114.20 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 1.45 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 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 -0.67 4.33 1.13 -1.26 -4.40 117.38 116.51 2jop n GLN 76 Ca 0.00 0.00 -0.12 0.00 -1.94 0.00 0.00 57.00 54.94 2jop n GLN 76 Cb 0.00 0.00 0.10 0.00 0.11 0.00 0.00 30.24 30.45 2jop n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jop n ALA 77 N 0.00 4.17 -0.25 -1.58 0.00 -1.26 -4.24 120.51 117.35 2jop n ALA 77 Ca 0.00 -1.57 -0.00 0.00 0.00 0.00 0.00 53.44 51.87 2jop n ALA 77 Cb 0.00 -1.24 0.12 0.00 0.00 0.00 0.00 19.45 18.33 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 0.63 0.58 0.06 0.00 0.87 -1.81 -1.99 113.55 111.89 2jop h SER 78 Ca 0.34 0.04 -0.09 0.00 -1.23 0.00 0.00 61.79 60.84 2jop h SER 78 Cb 2.00 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 63.87 2jop h SER 78 CO 0.59 0.36 -0.28 0.50 -0.53 0.00 0.00 176.83 177.48 2jop h LYS 79 N 0.71 0.35 -0.06 2.24 1.63 -1.85 -1.80 116.57 117.79 2jop h LYS 79 Ca 0.33 -0.13 -0.14 0.00 -0.85 0.00 0.00 60.65 59.85 2jop h LYS 79 Cb 0.24 -0.02 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2jop h LYS 79 CO -0.20 0.60 -0.52 -0.39 -3.45 0.00 0.00 179.45 175.49 2jop h VAL 80 N 0.31 1.40 0.00 2.00 -1.51 -1.60 0.10 116.25 116.94 2jop h VAL 80 Ca 0.05 -1.91 -0.11 0.00 -1.23 0.00 0.00 66.70 63.50 2jop h VAL 80 Cb 0.65 2.36 -0.02 0.00 -2.13 0.00 0.00 31.29 32.16 2jop h VAL 80 CO 0.05 0.56 -0.52 0.00 -1.23 0.00 0.00 177.57 176.44 2jop h GLN 82 N 0.00 0.74 0.00 0.00 4.15 -0.80 0.12 115.11 119.32 2jop h GLN 82 Ca -0.01 -0.25 -0.03 0.00 0.77 0.00 0.00 58.65 59.13 2jop h GLN 82 Cb 1.09 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.71 2jop h GLN 82 CO 0.07 0.84 -0.16 -0.09 -1.93 0.00 0.00 178.83 177.56 2jop h ARG 83 N 0.67 0.00 -0.57 1.69 9.65 -0.30 -1.82 114.38 123.71 2jop h ARG 83 Ca 0.11 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 2jop h ARG 83 Cb 0.61 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 2jop h ARG 83 CO 0.04 0.16 0.00 1.28 2.80 0.00 0.00 179.97 184.25 2jop n LEU 84 N -3.38 3.17 -2.89 3.80 4.77 -0.48 -4.91 117.00 117.06 2jop n LEU 84 Ca -0.00 -1.59 -0.13 0.00 -0.03 0.00 0.00 56.01 54.25 2jop n LEU 84 Cb 0.36 -0.42 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 2jop n LEU 84 CO 0.31 0.63 -0.07 -0.46 -1.33 0.00 0.00 177.39 176.48 2jop n ASN 85 N 0.83 -2.51 -1.05 -1.43 0.23 -0.68 -4.78 115.26 105.86 2jop n ASN 85 Ca 0.18 0.03 0.11 0.00 -0.53 0.00 0.00 54.58 54.37 2jop n ASN 85 Cb 0.57 -2.18 0.25 0.00 -2.08 0.00 0.00 39.78 36.34 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 1.44 1.10 3.87 0.00 0.00 -1.21 -4.42 105.19 105.99 2jop n GLY 87 Ca 0.19 -0.90 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 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 3.89 0.56 1.61 1.11 -1.26 -2.15 116.67 116.42 2jop s ASP 88 Ca 0.00 0.71 -0.18 0.00 0.18 0.00 0.00 52.55 53.26 2jop s ASP 88 Cb 0.00 -1.11 -0.05 0.00 1.07 0.00 0.00 42.92 42.83 2jop s ASP 88 CO 0.00 -2.29 1.07 -2.16 1.18 0.00 0.00 175.17 172.97 2jop s PRO 89 N -5.58 3.41 -0.37 8.23 0.04 -1.26 -1.00 135.00 138.47 2jop s PRO 89 Ca 0.65 1.35 -0.33 0.00 0.04 0.00 0.00 61.00 62.72 2jop s PRO 89 Cb -0.10 -2.04 -0.14 0.00 0.04 0.00 0.00 34.50 32.26 2jop s PRO 89 CO 0.51 -0.76 1.54 1.28 0.04 0.00 0.00 177.00 179.62 2jop n LEU 90 N -1.61 0.59 -4.76 -3.56 4.32 -1.23 -0.34 117.00 110.40 2jop n LEU 90 Ca 0.10 0.54 -0.33 0.00 -0.02 0.00 0.00 56.01 56.29 2jop n LEU 90 Cb 0.52 -0.66 0.05 0.00 -1.62 0.00 0.00 43.42 41.71 2jop n LEU 90 CO 0.44 -0.57 0.75 -0.94 -1.22 0.00 0.00 177.39 175.85 2jop s SER 91 N 4.23 5.02 -0.20 -1.43 1.04 0.71 -4.40 113.70 118.66 2jop s SER 91 Ca 0.88 2.07 -0.12 0.00 0.48 0.00 0.00 55.95 59.25 2jop s SER 91 Cb -1.11 -2.56 -0.05 0.00 0.10 0.00 0.00 66.02 62.41 2jop s SER 91 CO 0.50 -1.69 0.24 -0.76 0.98 0.00 0.00 173.24 172.50 2jop s LEU 92 N -4.82 4.18 -0.29 2.42 1.43 -1.26 -1.86 118.68 118.48 2jop s LEU 92 Ca 0.69 0.33 -0.17 0.00 -1.03 0.00 0.00 54.13 53.94 2jop s LEU 92 Cb -0.22 -2.26 0.15 0.00 0.03 0.00 0.00 46.19 43.90 2jop s LEU 92 CO 0.41 0.07 1.03 -0.83 0.23 0.00 0.00 176.35 177.25 2jop s GLY 93 N 0.74 0.08 0.11 -3.19 0.00 -0.48 -4.00 107.32 100.59 2jop s GLY 93 Ca 0.12 3.21 -0.33 0.00 0.00 0.00 0.00 44.72 47.72 2jop s GLY 93 CO 0.04 2.55 1.67 -1.55 0.00 0.00 0.00 173.10 175.81 2jop n PRO 94 N 3.48 2.27 -4.51 2.90 -0.04 -1.26 -0.41 135.00 137.43 2jop n PRO 94 Ca -0.18 0.82 -0.26 0.00 -0.04 0.00 0.00 63.50 63.84 2jop n PRO 94 Cb 0.57 -2.63 -0.10 0.00 -0.04 0.00 0.00 33.50 31.31 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 1.72 2.48 0.27 0.54 5.36 0.71 -4.61 117.98 124.45 2jop s PHE 95 Ca 0.81 -0.56 -0.30 0.00 -0.96 0.00 0.00 56.93 55.93 2jop s PHE 95 Cb -0.65 -1.58 -0.10 0.00 -0.34 0.00 0.00 43.02 40.35 2jop s PHE 95 CO 0.40 0.49 1.47 -1.17 -1.46 0.00 0.00 175.22 174.95 2jop s LEU 96 N -3.68 4.37 -0.30 6.12 2.96 -1.26 -4.74 118.68 122.14 2jop s LEU 96 Ca 0.34 2.75 -0.28 0.00 -0.22 0.00 0.00 54.13 56.72 2jop s LEU 96 Cb 0.05 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 43.08 2jop s LEU 96 CO 0.18 -0.75 1.88 -1.59 -1.32 0.00 0.00 176.35 174.75 2jop s LYS 97 N -0.53 3.30 -0.00 1.98 -2.85 -1.26 -4.80 119.74 115.58 2jop s LYS 97 Ca 0.60 1.55 0.20 0.00 -1.00 0.00 0.00 55.97 57.32 2jop s LYS 97 Cb -0.43 -4.23 -0.23 0.00 -2.06 0.00 0.00 37.83 30.87 2jop s LYS 97 CO 0.46 -1.90 0.79 2.41 0.10 0.00 0.00 175.35 177.21 2jop n THR 98 N 7.48 0.00 -2.58 3.79 -1.04 -1.26 -4.97 114.28 115.70 2jop n THR 98 Ca 0.24 -0.10 -0.22 0.00 -2.04 0.00 0.00 64.05 61.94 2jop n THR 98 Cb 0.46 0.85 0.04 0.00 -1.82 0.00 0.00 70.33 69.87 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 -2.97 2.80 -0.12 -1.42 -0.85 -1.26 -5.07 117.35 108.46 2jop s TYR 99 Ca 0.05 0.03 -0.06 0.00 -0.52 0.00 0.00 57.07 56.57 2jop s TYR 99 Cb 0.15 -2.83 0.05 0.00 0.38 0.00 0.00 41.96 39.71 2jop s TYR 99 CO 0.83 -0.99 0.28 -0.08 -1.52 0.00 0.00 175.55 174.07 2jop s THR 100 N -2.85 -0.06 -0.60 -3.49 -1.32 -1.26 -5.03 115.64 101.03 2jop s THR 100 Ca 0.58 0.14 -0.26 0.00 -1.21 0.00 0.00 61.69 60.94 2jop s THR 100 Cb -0.10 -0.44 -0.10 0.00 -1.51 0.00 0.00 72.50 70.35 2jop s THR 100 CO 0.40 0.06 2.44 -2.65 -2.21 0.00 0.00 174.62 172.65 2jop n PRO 101 N 4.30 0.84 0.00 7.08 -0.02 -1.26 -1.26 135.00 144.68 2jop n PRO 101 Ca -0.24 -0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.06 2jop n PRO 101 Cb 0.53 -3.30 0.00 0.00 -0.02 0.00 0.00 33.50 30.71 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 8.85 0.00 -0.03 -0.52 7.27 -1.26 -4.88 117.38 126.81 2jop n GLN 102 Ca 0.42 0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.55 2jop n GLN 102 Cb 0.48 0.00 -0.16 0.00 2.41 0.00 0.00 30.24 32.97 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 0.28 -4.80 1.69 3.41 -1.16 -4.90 113.62 108.14 2jop n SER 103 Ca 0.00 0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.28 2jop n SER 103 Cb 0.00 1.72 0.00 0.00 -0.26 0.00 0.00 64.21 65.67 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 -4.61 5.90 0.09 4.04 0.15 -0.39 -4.61 113.70 114.27 2jop s SER 104 Ca -0.08 1.86 0.02 0.00 0.70 0.00 0.00 55.95 58.45 2jop s SER 104 Cb 0.11 -2.54 -0.04 0.00 -1.71 0.00 0.00 66.02 61.85 2jop s SER 104 CO 0.84 -1.09 -0.08 0.27 1.20 0.00 0.00 173.24 174.38 2jop s ILE 105 N -2.32 0.75 -0.26 6.45 -5.25 -0.63 -1.72 121.20 118.21 2jop s ILE 105 Ca 0.65 -1.71 0.00 0.00 -0.99 0.00 0.00 60.65 58.60 2jop s ILE 105 Cb -0.16 -1.41 0.08 0.00 2.95 0.00 0.00 42.46 43.91 2jop s ILE 105 CO 0.33 -0.70 0.01 -0.63 -1.79 0.00 0.00 174.94 172.16 2jop s ILE 106 N -2.91 1.28 0.64 8.37 1.01 0.63 -2.72 121.20 127.49 2jop s ILE 106 Ca 0.07 -1.29 -0.07 0.00 0.00 0.00 0.00 60.65 59.35 2jop s ILE 106 Cb 0.00 -1.74 0.02 0.00 0.01 0.00 0.00 42.46 40.75 2jop s ILE 106 CO -0.02 -0.33 0.96 0.00 0.00 0.00 0.00 174.94 175.55 2jop s TYR 108 N -3.11 1.24 0.00 0.00 2.02 -1.26 0.50 117.35 116.74 2jop s TYR 108 Ca 0.56 -1.38 0.00 0.00 -0.37 0.00 0.00 57.07 55.88 2jop s TYR 108 Cb -0.11 -0.34 0.00 0.00 -0.40 0.00 0.00 41.96 41.12 2jop s TYR 108 CO 0.46 -0.96 0.00 0.41 -1.57 0.00 0.00 175.55 173.89 2jop n GLY 109 N -0.52 0.13 3.63 0.71 0.00 -1.22 -4.69 105.19 103.23 2jop n GLY 109 Ca 0.03 -1.83 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 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 4.12 -0.09 1.61 0.74 -1.26 -4.53 119.66 120.25 2jop s GLN 110 Ca 0.00 0.48 -0.36 0.00 0.05 0.00 0.00 55.36 55.53 2jop s GLN 110 Cb 0.00 -3.63 -0.14 0.00 1.10 0.00 0.00 33.01 30.34 2jop s GLN 110 CO 0.00 -0.34 1.74 -0.11 -0.55 0.00 0.00 175.29 176.03 2jop n LEU 111 N 5.44 2.88 0.00 3.68 7.94 -1.26 -1.02 117.00 134.66 2jop n LEU 111 Ca -0.02 1.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.91 2jop n LEU 111 Cb 0.49 -1.29 0.00 0.00 0.53 0.00 0.00 43.42 43.16 2jop n LEU 111 CO 0.42 -0.31 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 2jop n GLY 112 N 4.00 1.75 3.47 -3.96 0.00 -1.26 -5.03 105.19 104.18 2jop n GLY 112 Ca 0.23 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.20 6.49 -0.24 1.61 0.01 -0.19 -3.52 113.70 117.67 2jop s SER 113 Ca 0.00 -1.65 0.00 0.00 1.31 0.00 0.00 55.95 55.61 2jop s SER 113 Cb 0.00 -2.44 0.21 0.00 0.21 0.00 0.00 66.02 64.00 2jop s SER 113 CO 0.00 -1.25 1.79 0.49 0.41 0.00 0.00 173.24 174.68 2jop n PHE 114 N 7.32 1.28 0.28 2.43 3.01 0.50 -4.21 117.46 128.06 2jop n PHE 114 Ca 0.19 -1.55 0.12 0.00 1.01 0.00 0.00 57.45 57.21 2jop n PHE 114 Cb 0.49 -0.76 0.04 0.00 -0.01 0.00 0.00 39.48 39.24 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 0.29 0.77 -3.80 4.37 7.64 -1.23 -4.76 113.62 116.91 2jop n SER 115 Ca 0.25 0.21 -0.13 0.00 1.01 0.00 0.00 58.87 60.21 2jop n SER 115 Cb 0.70 0.43 -0.10 0.00 -1.01 0.00 0.00 64.21 64.24 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 -4.88 -0.17 0.09 6.43 2.47 -1.26 -4.84 114.94 112.77 2jop s ASN 116 Ca 0.02 0.20 0.01 0.00 0.42 0.00 0.00 52.86 53.51 2jop s ASN 116 Cb 0.11 0.38 -0.01 0.00 -1.45 0.00 0.00 41.25 40.29 2jop s ASN 116 CO 0.77 -0.28 0.09 0.00 -3.72 0.00 0.00 177.10 173.96 2jop s SER 118 N -1.60 -0.06 0.35 0.00 0.01 -1.17 -4.85 113.70 106.38 2jop s SER 118 Ca 0.10 -0.74 -0.16 0.00 1.31 0.00 0.00 55.95 56.46 2jop s SER 118 Cb 0.00 0.48 -0.09 0.00 0.21 0.00 0.00 66.02 66.62 2jop s SER 118 CO 0.07 -0.95 0.78 -1.00 0.41 0.00 0.00 173.24 172.55 2jop s HIS 119 N -3.94 3.36 -0.76 2.43 3.76 -1.26 -0.27 115.29 118.62 2jop s HIS 119 Ca 0.14 1.28 -0.26 0.00 -0.15 0.00 0.00 55.06 56.08 2jop s HIS 119 Cb 0.02 -2.59 -0.01 0.00 1.11 0.00 0.00 32.58 31.11 2jop s HIS 119 CO -0.01 0.05 1.69 0.45 -0.85 0.00 0.00 174.74 176.07 2jop s SER 120 N -2.28 5.61 0.00 1.40 0.15 -0.70 -4.28 113.70 113.60 2jop s SER 120 Ca 0.56 -0.30 0.28 0.00 0.70 0.00 0.00 55.95 57.19 2jop s SER 120 Cb -0.10 -2.55 1.10 0.00 -1.71 0.00 0.00 66.02 62.76 2jop s SER 120 CO 0.17 -2.22 1.79 0.54 1.20 0.00 0.00 173.24 174.72 2jop n ARG 121 N 9.12 0.54 -4.17 5.44 5.12 -1.26 -4.26 116.66 127.20 2jop n ARG 121 Ca 0.22 -0.20 -0.28 0.00 -1.93 0.00 0.00 57.85 55.66 2jop n ARG 121 Cb 0.50 -1.50 -0.08 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 -2.60 4.89 0.25 0.55 0.01 -1.26 -5.02 114.94 111.76 2jop s ASN 122 Ca 0.25 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.12 2jop s ASN 122 Cb 0.20 -1.10 0.29 0.00 0.41 0.00 0.00 41.25 41.05 2jop s ASN 122 CO 0.51 0.13 1.62 -0.78 -1.51 0.00 0.00 177.10 177.07 2jop h ASP 123 N 3.02 0.47 -3.12 -1.22 3.58 -1.98 -3.42 116.42 113.75 2jop h ASP 123 Ca -0.47 -0.21 -0.10 0.00 0.42 0.00 0.00 57.03 56.67 2jop h ASP 123 Cb 1.19 -0.13 -0.26 0.00 1.72 0.00 0.00 39.33 41.84 2jop h ASP 123 CO 0.58 0.83 -0.28 0.00 -2.88 0.00 0.00 179.24 177.50 2jop s MET 124 N -4.18 0.41 0.20 0.28 0.23 -1.26 -4.64 119.30 110.34 2jop s MET 124 Ca -0.06 0.86 0.09 0.00 -1.03 0.00 0.00 55.69 55.55 2jop s MET 124 Cb 0.13 0.03 0.06 0.00 -1.53 0.00 0.00 34.83 33.52 2jop s MET 124 CO 0.81 -0.17 1.44 0.00 -2.03 0.00 0.00 175.02 175.07 2jop n HIS 126 N -3.53 0.00 -3.26 0.00 8.25 -1.26 -4.96 115.22 110.47 2jop n HIS 126 Ca -0.00 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.29 2jop n HIS 126 Cb 0.78 0.00 0.06 0.00 1.12 0.00 0.00 29.99 31.95 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 0.00 -4.74 -4.54 0.41 7.64 -1.23 -4.65 113.62 106.50 2jop n SER 127 Ca 0.00 -0.40 -0.39 0.00 1.01 0.00 0.00 58.87 59.09 2jop n SER 127 Cb 0.00 -3.81 -0.05 0.00 -1.01 0.00 0.00 64.21 59.35 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 -3.71 2.19 -4.96 -3.43 7.94 -1.25 -0.20 117.00 113.58 2jop n LEU 128 Ca -0.02 -0.25 -0.28 0.00 -1.11 0.00 0.00 56.01 54.35 2jop n LEU 128 Cb 0.56 -1.47 0.18 0.00 0.53 0.00 0.00 43.42 43.21 2jop n LEU 128 CO 0.47 -1.28 0.79 -0.83 -1.11 0.00 0.00 177.39 175.43 2jop s GLY 129 N 10.89 1.80 0.01 -3.96 0.00 0.45 -3.89 107.32 112.63 2jop s GLY 129 Ca 1.04 -1.51 -0.01 0.00 0.00 0.00 0.00 44.72 44.24 2jop s GLY 129 CO 0.32 -0.75 -0.01 1.08 0.00 0.00 0.00 173.10 173.74 2jop s LEU 130 N -5.69 2.13 -0.28 0.66 1.43 -1.24 -1.38 118.68 114.30 2jop s LEU 130 Ca 0.74 -0.40 0.01 0.00 -1.03 0.00 0.00 54.13 53.45 2jop s LEU 130 Cb -0.03 0.16 0.17 0.00 0.03 0.00 0.00 46.19 46.52 2jop s LEU 130 CO 0.51 -0.27 0.47 -0.89 0.23 0.00 0.00 176.35 176.40 2jop s THR 131 N -1.26 -0.77 -0.71 5.49 2.01 -0.78 -2.36 115.64 117.26 2jop s THR 131 Ca -0.14 -0.13 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 2jop s THR 131 Cb -0.08 -0.95 -0.15 0.00 0.01 0.00 0.00 72.50 71.32 2jop s THR 131 CO -0.01 -0.14 2.50 0.00 -0.69 0.00 0.00 174.62 176.29 2jop n LEU 133 N 11.95 0.00 0.00 0.00 7.94 0.54 -4.61 117.00 132.82 2jop n LEU 133 Ca 0.52 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.42 2jop n LEU 133 Cb 0.22 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.17 2jop n LEU 133 CO 0.84 0.00 0.00 -1.84 -1.11 0.00 0.00 177.39 175.28