#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 0.16 0.02 6.15 1.43 -1.26 -5.07 118.68 120.10 2jop s LEU 26 Ca 0.00 0.08 0.03 0.00 -1.03 0.00 0.00 54.13 53.20 2jop s LEU 26 Cb 0.00 -0.14 -0.01 0.00 0.03 0.00 0.00 46.19 46.07 2jop s LEU 26 CO 0.00 -0.25 -0.08 -0.94 0.23 0.00 0.00 176.35 175.31 2jop s SER 27 N 2.15 0.95 0.00 2.29 1.04 -1.25 -0.26 113.70 118.62 2jop s SER 27 Ca 0.05 -0.31 0.24 0.00 0.48 0.00 0.00 55.95 56.41 2jop s SER 27 Cb -0.12 -0.05 1.42 0.00 0.10 0.00 0.00 66.02 67.37 2jop s SER 27 CO -0.03 -0.01 1.80 -2.67 0.98 0.00 0.00 173.24 173.31 2jop n TRP 28 N 2.30 0.00 -0.51 5.02 4.27 -1.24 -2.31 117.44 124.98 2jop n TRP 28 Ca -0.17 0.00 0.09 0.00 -3.89 0.00 0.00 57.50 53.53 2jop n TRP 28 Cb 0.56 -0.02 0.29 0.00 -1.36 0.00 0.00 31.31 30.78 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 -1.02 1.06 -2.68 -2.67 0.18 -1.26 -4.66 117.16 106.10 2jop n TYR 29 Ca 0.18 -0.60 -0.37 0.00 1.88 0.00 0.00 57.90 58.99 2jop n TYR 29 Cb 0.09 -0.15 -0.05 0.00 -0.38 0.00 0.00 39.34 38.84 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 -1.08 7.09 0.17 9.48 1.01 -0.98 -4.98 116.67 127.38 2jop s ASP 30 Ca 0.42 1.92 -0.14 0.00 0.71 0.00 0.00 52.55 55.46 2jop s ASP 30 Cb 0.26 -2.58 0.06 0.00 1.01 0.00 0.00 42.92 41.67 2jop s ASP 30 CO 0.22 -0.25 1.81 1.55 0.21 0.00 0.00 175.17 178.71 2jop h PRO 31 N 2.85 0.72 -0.51 8.23 0.13 -1.93 -2.68 132.00 138.81 2jop h PRO 31 Ca -0.47 -0.06 -0.04 0.00 -0.87 0.00 0.00 66.00 64.56 2jop h PRO 31 Cb 1.20 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2jop h PRO 31 CO 0.64 0.51 0.04 -0.40 -0.23 0.00 0.00 178.00 178.56 2jop n ASP 32 N -4.68 5.04 -4.52 1.44 5.75 -1.26 -4.86 116.55 113.46 2jop n ASP 32 Ca 0.03 -3.03 -0.43 0.00 -0.01 0.00 0.00 54.79 51.36 2jop n ASP 32 Cb 0.05 -0.66 -0.07 0.00 -1.03 0.00 0.00 41.12 39.41 2jop n ASP 32 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 2jop s PHE 33 N -2.84 3.12 -0.32 2.11 2.19 -1.01 -5.02 117.98 116.21 2jop s PHE 33 Ca 0.51 -0.06 -0.29 0.00 0.33 0.00 0.00 56.93 57.43 2jop s PHE 33 Cb 0.40 -3.13 0.01 0.00 -1.31 0.00 0.00 43.02 38.99 2jop s PHE 33 CO 0.13 -0.74 1.21 -0.65 1.83 0.00 0.00 175.22 177.01 2jop s GLN 34 N 2.55 3.96 0.00 10.12 1.11 -1.26 -4.79 119.66 131.35 2jop s GLN 34 Ca 0.19 1.15 0.02 0.00 0.01 0.00 0.00 55.36 56.73 2jop s GLN 34 Cb -0.15 -3.83 -0.01 0.00 -1.01 0.00 0.00 33.01 28.01 2jop s GLN 34 CO 0.16 -1.06 -0.05 0.00 0.01 0.00 0.00 175.29 174.35 2jop s ALA 35 N 4.12 0.42 0.08 6.09 0.00 -1.26 -1.11 121.76 130.10 2jop s ALA 35 Ca 0.52 -0.26 -0.15 0.00 0.00 0.00 0.00 51.96 52.07 2jop s ALA 35 Cb -0.15 -0.09 0.05 0.00 0.00 0.00 0.00 23.12 22.94 2jop s ALA 35 CO 0.21 0.09 0.73 2.89 0.00 0.00 0.00 175.76 179.67 2jop n ARG 36 N 2.83 0.33 -4.31 0.00 1.85 -0.76 -4.94 116.66 111.66 2jop n ARG 36 Ca -0.14 -0.82 -0.31 0.00 -1.00 0.00 0.00 57.85 55.58 2jop n ARG 36 Cb 0.58 1.16 -0.10 0.00 -1.05 0.00 0.00 32.46 33.06 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 3.21 0.00 2.89 1.43 -1.26 -0.18 118.68 124.77 2jop s LEU 37 Ca 0.16 -0.23 0.07 0.00 -1.03 0.00 0.00 54.13 53.11 2jop s LEU 37 Cb -0.01 -1.92 -0.03 0.00 0.03 0.00 0.00 46.19 44.26 2jop s LEU 37 CO 0.02 0.22 0.25 0.35 0.23 0.00 0.00 176.35 177.43 2jop n THR 38 N 1.05 0.00 -1.53 5.49 -2.24 -0.66 -4.85 114.28 111.55 2jop n THR 38 Ca -0.14 -2.40 -0.15 0.00 -2.27 0.00 0.00 64.05 59.10 2jop n THR 38 Cb 0.52 1.14 -0.06 0.00 -2.10 0.00 0.00 70.33 69.84 2jop n THR 38 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2jop n ARG 39 N -0.68 -1.04 -4.02 -0.78 1.74 -1.26 -3.28 116.66 107.34 2jop n ARG 39 Ca 0.05 0.98 -0.10 0.00 -0.77 0.00 0.00 57.85 58.02 2jop n ARG 39 Cb 0.60 -5.12 -0.06 0.00 -1.02 0.00 0.00 32.46 26.86 2jop n ARG 39 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2jop s SER 40 N -2.79 -0.05 -0.03 0.55 1.04 -1.26 -4.96 113.70 106.20 2jop s SER 40 Ca 0.00 -0.98 0.11 0.00 0.48 0.00 0.00 55.95 55.56 2jop s SER 40 Cb 0.00 0.54 -0.23 0.00 0.10 0.00 0.00 66.02 66.43 2jop s SER 40 CO 0.00 -1.08 0.70 -1.13 0.98 0.00 0.00 173.24 172.71 2jop h ASN 41 N 2.33 0.02 -3.05 7.02 -0.73 -1.93 -3.46 115.58 115.78 2jop h ASN 41 Ca -0.28 -0.04 -0.58 0.00 1.87 0.00 0.00 56.30 57.28 2jop h ASN 41 Cb 1.25 -0.01 -0.05 0.00 0.27 0.00 0.00 38.32 39.78 2jop h ASN 41 CO 0.39 1.03 0.81 -0.44 -0.37 0.00 0.00 177.43 178.86 2jop s SER 42 N -6.17 7.07 0.00 1.15 0.01 -1.26 -4.88 113.70 109.62 2jop s SER 42 Ca -0.05 1.46 0.21 0.00 1.31 0.00 0.00 55.95 58.89 2jop s SER 42 Cb 0.08 -2.54 0.96 0.00 0.21 0.00 0.00 66.02 64.73 2jop s SER 42 CO 0.82 -0.68 1.69 0.29 0.41 0.00 0.00 173.24 175.77 2jop n LYS 43 N 6.33 0.09 -0.13 12.44 5.02 -1.26 -2.57 118.16 138.09 2jop n LYS 43 Ca 0.12 0.12 0.04 0.00 -2.02 0.00 0.00 58.31 56.57 2jop n LYS 43 Cb 0.46 -1.50 0.11 0.00 -0.02 0.00 0.00 35.03 34.08 2jop n LYS 43 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jop s GLN 45 N -0.98 0.29 0.00 0.00 -0.21 -1.06 -0.22 119.66 117.48 2jop s GLN 45 Ca 0.17 0.82 0.00 0.00 0.02 0.00 0.00 55.36 56.37 2jop s GLN 45 Cb 0.09 0.07 0.00 0.00 1.00 0.00 0.00 33.01 34.17 2jop s GLN 45 CO 0.12 -0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.48 2jop n GLY 46 N 4.84 -2.55 3.81 3.09 0.00 -0.95 -4.35 105.19 109.08 2jop n GLY 46 Ca -0.15 -1.28 -0.36 0.00 0.00 0.00 0.00 46.02 44.22 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 -1.97 4.26 -0.20 1.61 -0.21 -1.21 -1.84 119.66 120.10 2jop s GLN 47 Ca 0.00 0.88 -0.29 0.00 0.02 0.00 0.00 55.36 55.96 2jop s GLN 47 Cb 0.00 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 31.12 2jop s GLN 47 CO 0.00 0.40 1.21 -1.17 -2.12 0.00 0.00 175.29 173.61 2jop s LEU 48 N -1.96 4.12 -0.23 2.90 2.96 -1.26 -1.65 118.68 123.56 2jop s LEU 48 Ca 0.43 1.54 -0.02 0.00 -0.22 0.00 0.00 54.13 55.85 2jop s LEU 48 Cb -0.17 -3.54 0.01 0.00 0.50 0.00 0.00 46.19 42.99 2jop s LEU 48 CO 0.21 -0.78 -0.07 -0.70 -1.32 0.00 0.00 176.35 173.69 2jop s GLU 49 N 3.52 3.10 0.01 1.98 2.12 0.75 -0.17 118.70 130.02 2jop s GLU 49 Ca 0.52 -0.80 0.08 0.00 0.36 0.00 0.00 54.97 55.13 2jop s GLU 49 Cb -0.19 -2.96 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 2jop s GLU 49 CO 0.14 -0.29 -0.25 0.14 -0.54 0.00 0.00 175.26 174.46 2jop s VAL 50 N 1.39 2.00 -0.52 3.70 -7.23 -0.82 -1.83 120.40 117.10 2jop s VAL 50 Ca 0.03 -1.21 -0.17 0.00 -1.81 0.00 0.00 61.98 58.82 2jop s VAL 50 Cb -0.15 -1.69 0.08 0.00 0.56 0.00 0.00 36.38 35.18 2jop s VAL 50 CO -0.05 0.44 0.54 -0.47 -0.31 0.00 0.00 175.10 175.25 2jop s TYR 51 N -0.70 3.14 -0.04 2.82 5.04 -0.27 -0.34 117.35 127.00 2jop s TYR 51 Ca 0.10 -0.86 0.02 0.00 -2.44 0.00 0.00 57.07 53.89 2jop s TYR 51 Cb -0.10 -3.54 0.01 0.00 0.35 0.00 0.00 41.96 38.69 2jop s TYR 51 CO 0.01 -1.00 -0.09 -0.48 -1.34 0.00 0.00 175.55 172.65 2jop s LEU 52 N 2.15 1.64 0.00 6.97 0.05 -0.75 -4.56 118.68 124.18 2jop s LEU 52 Ca 0.09 -0.19 0.00 0.00 0.05 0.00 0.00 54.13 54.07 2jop s LEU 52 Cb -0.23 -0.58 0.00 0.00 -2.05 0.00 0.00 46.19 43.32 2jop s LEU 52 CO 0.08 0.03 0.00 1.17 -0.55 0.00 0.00 176.35 177.08 2jop n LYS 53 N 3.59 0.00 0.00 1.48 4.81 -1.26 -1.15 118.16 125.63 2jop n LYS 53 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 2jop n LYS 53 Cb 0.53 -0.04 0.00 0.00 0.02 0.00 0.00 35.03 35.54 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 1.21 0.00 -4.63 3.14 5.75 -1.26 -5.11 116.55 115.64 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 1.37 -1.18 6.12 0.00 -0.30 -4.92 107.32 108.41 2jop s GLY 55 Ca 0.00 0.21 -0.21 0.00 0.00 0.00 0.00 44.72 44.72 2jop s GLY 55 CO 0.00 2.67 1.90 0.79 0.00 0.00 0.00 173.10 178.46 2jop n TRP 56 N 7.73 3.17 -2.42 1.90 7.02 -1.26 -1.80 117.44 131.78 2jop n TRP 56 Ca 0.16 -1.94 -0.43 0.00 -1.02 0.00 0.00 57.50 54.27 2jop n TRP 56 Cb 0.46 -2.51 -0.02 0.00 -2.42 0.00 0.00 31.31 26.81 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 8.17 2.46 -0.55 -5.99 3.76 0.54 -4.72 115.29 118.96 2jop s HIS 57 Ca 0.62 0.63 -0.28 0.00 -0.15 0.00 0.00 55.06 55.88 2jop s HIS 57 Cb 0.03 -4.37 0.02 0.00 1.11 0.00 0.00 32.58 29.38 2jop s HIS 57 CO 0.11 -1.82 1.25 0.00 -0.85 0.00 0.00 174.74 173.43 2jop s MET 58 N 4.97 3.50 0.67 1.40 0.23 -1.26 -1.94 119.30 126.88 2jop s MET 58 Ca 0.56 0.40 -0.03 0.00 -1.03 0.00 0.00 55.69 55.58 2jop s MET 58 Cb -0.11 -4.02 0.07 0.00 -1.53 0.00 0.00 34.83 29.23 2jop s MET 58 CO 0.31 -1.69 0.95 0.14 -2.03 0.00 0.00 175.02 172.70 2jop s VAL 59 N 5.17 2.36 -0.35 5.16 -7.23 0.77 -1.79 120.40 124.49 2jop s VAL 59 Ca 0.47 -0.45 0.08 0.00 -1.81 0.00 0.00 61.98 60.27 2jop s VAL 59 Cb -0.09 -2.91 0.67 0.00 0.56 0.00 0.00 36.38 34.62 2jop s VAL 59 CO 0.27 0.00 1.77 0.00 -0.31 0.00 0.00 175.10 176.82 2jop n SER 61 N -0.66 0.00 0.00 0.00 7.64 -1.26 -3.75 113.62 115.60 2jop n SER 61 Ca 0.45 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.41 2jop n SER 61 Cb 1.40 0.00 0.52 0.00 -1.01 0.00 0.00 64.21 65.11 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 0.63 -1.22 1.43 -0.00 -1.26 -4.79 117.38 112.17 2jop n GLN 62 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.00 56.69 2jop n GLN 62 Cb 0.00 -1.43 0.10 0.00 -0.00 0.00 0.00 30.24 28.91 2jop n GLN 62 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2jop s SER 63 N -1.92 4.30 0.00 2.61 0.01 -1.26 -3.28 113.70 114.16 2jop s SER 63 Ca 0.26 1.91 0.00 0.00 1.31 0.00 0.00 55.95 59.43 2jop s SER 63 Cb 0.12 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.82 2jop s SER 63 CO 0.20 -2.18 0.00 0.79 0.41 0.00 0.00 173.24 172.46 2jop n TRP 64 N -3.51 0.00 0.00 2.43 8.01 0.84 -4.48 117.44 120.73 2jop n TRP 64 Ca 0.10 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.29 2jop n TRP 64 Cb 0.53 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.83 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 -0.02 3.55 6.99 0.00 -1.26 -4.35 105.19 110.11 2jop n GLY 65 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 1.10 2.82 0.43 1.61 3.00 -1.26 -4.80 118.95 121.85 2jop s ARG 66 Ca 0.00 0.11 0.19 0.00 0.00 0.00 0.00 55.73 56.04 2jop s ARG 66 Cb 0.00 -4.54 0.97 0.00 0.00 0.00 0.00 34.95 31.39 2jop s ARG 66 CO 0.00 -2.67 1.89 1.03 0.00 0.00 0.00 175.30 175.56 2jop h SER 67 N 12.75 0.00 -2.93 0.23 0.87 -1.88 -3.39 113.55 119.19 2jop h SER 67 Ca -0.17 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.37 2jop h SER 67 Cb 1.10 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.06 2jop h SER 67 CO 1.25 0.27 0.29 -1.20 -0.53 0.00 0.00 176.83 176.91 2jop n SER 68 N -3.80 -2.25 -1.35 6.23 7.64 -1.26 -4.83 113.62 114.00 2jop n SER 68 Ca -0.01 -2.54 0.00 0.00 1.01 0.00 0.00 58.87 57.33 2jop n SER 68 Cb 0.37 3.74 0.00 0.00 -1.01 0.00 0.00 64.21 67.31 2jop n SER 68 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jop n LYS 69 N -0.54 -1.68 -2.73 1.43 5.02 -1.26 -4.90 118.16 113.50 2jop n LYS 69 Ca -0.08 1.55 -0.42 0.00 -2.02 0.00 0.00 58.31 57.34 2jop n LYS 69 Cb 0.59 -1.76 -0.03 0.00 -0.02 0.00 0.00 35.03 33.80 2jop n LYS 69 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2jop s GLN 70 N -1.69 3.20 0.03 1.97 -2.07 -1.26 -4.99 119.66 114.86 2jop s GLN 70 Ca 0.00 -0.68 0.00 0.00 -1.82 0.00 0.00 55.36 52.86 2jop s GLN 70 Cb 0.00 -4.32 0.00 0.00 -1.09 0.00 0.00 33.01 27.60 2jop s GLN 70 CO 0.00 -1.96 0.00 0.91 -1.32 0.00 0.00 175.29 172.92 2jop n TRP 71 N 8.35 0.06 0.34 9.60 5.03 -1.26 -5.03 117.44 134.52 2jop n TRP 71 Ca 0.02 -0.17 0.14 0.00 3.03 0.00 0.00 57.50 60.53 2jop n TRP 71 Cb 0.47 -0.02 0.43 0.00 -1.03 0.00 0.00 31.31 31.16 2jop n TRP 71 CO 0.00 0.00 0.00 1.05 -0.03 0.00 0.00 177.69 178.71 2jop h GLU 72 N 0.00 0.00 -3.84 -0.99 9.09 -2.00 -3.36 114.58 113.49 2jop h GLU 72 Ca -0.03 0.00 -0.73 0.00 0.05 0.00 0.00 59.36 58.65 2jop h GLU 72 Cb 0.09 0.00 -0.31 0.00 -1.65 0.00 0.00 28.75 26.87 2jop h GLU 72 CO 0.05 0.00 -0.23 0.34 0.05 0.00 0.00 179.01 179.22 2jop s ASP 73 N -5.43 5.81 -0.09 3.06 2.15 -1.26 -4.93 116.67 115.99 2jop s ASP 73 Ca 0.05 -2.58 -0.04 0.00 0.43 0.00 0.00 52.55 50.41 2jop s ASP 73 Cb 0.08 -2.00 -0.01 0.00 -0.30 0.00 0.00 42.92 40.69 2jop s ASP 73 CO 0.57 -0.51 -0.09 1.55 -0.17 0.00 0.00 175.17 176.53 2jop h PRO 74 N 7.60 0.00 -1.87 4.34 0.13 -1.91 -3.47 132.00 136.82 2jop h PRO 74 Ca -0.02 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.15 2jop h PRO 74 Cb 1.01 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 31.91 2jop h PRO 74 CO 0.76 0.00 0.11 -1.12 -0.23 0.00 0.00 178.00 177.52 2jop s SER 75 N -4.90 -0.84 -1.28 1.44 0.01 -1.26 -4.44 113.70 102.42 2jop s SER 75 Ca -0.07 1.33 -0.18 0.00 1.31 0.00 0.00 55.95 58.34 2jop s SER 75 Cb 0.01 1.38 0.02 0.00 0.21 0.00 0.00 66.02 67.63 2jop s SER 75 CO 0.10 -0.21 1.93 0.00 0.41 0.00 0.00 173.24 175.48 2jop n GLN 76 N 4.20 2.72 -1.57 12.44 1.13 -1.26 -4.51 117.38 130.53 2jop n GLN 76 Ca -0.19 -2.83 0.01 0.00 -1.94 0.00 0.00 57.00 52.05 2jop n GLN 76 Cb 0.58 -3.41 0.07 0.00 0.11 0.00 0.00 30.24 27.60 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 8.40 3.01 -0.23 -1.58 0.00 -1.26 -4.86 120.51 124.00 2jop n ALA 77 Ca 0.49 -2.82 -0.05 0.00 0.00 0.00 0.00 53.44 51.07 2jop n ALA 77 Cb 0.43 -0.62 0.05 0.00 0.00 0.00 0.00 19.45 19.32 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 1.42 0.71 -0.04 0.00 0.87 -1.91 -0.46 113.55 114.14 2jop h SER 78 Ca -0.09 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2jop h SER 78 Cb 1.52 -0.17 -0.00 0.00 -0.44 0.00 0.00 62.40 63.31 2jop h SER 78 CO 0.16 0.50 0.03 0.50 -0.53 0.00 0.00 176.83 177.49 2jop h LYS 79 N 0.84 0.00 0.49 2.24 3.11 -1.89 0.67 116.57 122.03 2jop h LYS 79 Ca 0.25 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.06 2jop h LYS 79 Cb -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.19 2jop h LYS 79 CO -0.07 0.00 -0.24 0.28 -2.81 0.00 0.00 179.45 176.61 2jop h VAL 80 N 0.00 0.00 0.00 2.00 2.07 -1.35 -1.22 116.25 117.74 2jop h VAL 80 Ca 0.02 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2jop h VAL 80 Cb 0.08 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.85 2jop h VAL 80 CO -0.00 0.00 -0.19 0.00 0.02 0.00 0.00 177.57 177.40 2jop h GLN 82 N 0.00 1.05 0.00 0.00 4.15 -0.43 0.22 115.11 120.10 2jop h GLN 82 Ca -0.00 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.35 2jop h GLN 82 Cb 0.49 -0.24 0.00 0.00 0.21 0.00 0.00 27.48 27.94 2jop h GLN 82 CO 0.02 0.70 0.00 -0.09 -1.93 0.00 0.00 178.83 177.54 2jop h ARG 83 N 1.08 0.00 -0.66 1.69 9.65 0.35 -1.28 114.38 125.21 2jop h ARG 83 Ca 0.29 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.17 2jop h ARG 83 Cb -0.12 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.46 2jop h ARG 83 CO -0.06 0.00 0.00 1.28 2.80 0.00 0.00 179.97 183.99 2jop n LEU 84 N -2.97 4.05 -4.05 3.80 4.32 -0.66 -4.94 117.00 116.55 2jop n LEU 84 Ca 0.02 -2.04 -0.34 0.00 -0.02 0.00 0.00 56.01 53.63 2jop n LEU 84 Cb 0.35 -0.51 -0.03 0.00 -1.62 0.00 0.00 43.42 41.61 2jop n LEU 84 CO 0.28 0.80 -0.06 -0.46 -1.22 0.00 0.00 177.39 176.74 2jop n ASN 85 N 1.20 -2.87 -0.03 -1.43 0.23 -0.47 -4.82 115.26 107.06 2jop n ASN 85 Ca 0.23 -0.87 0.04 0.00 -0.53 0.00 0.00 54.58 53.45 2jop n ASN 85 Cb 0.72 -2.40 -0.15 0.00 -2.08 0.00 0.00 39.78 35.87 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 1.52 0.17 3.87 0.00 0.00 -1.13 -4.84 105.19 104.78 2jop n GLY 87 Ca -0.12 -1.33 -0.29 0.00 0.00 0.00 0.00 46.02 44.28 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 4.42 0.44 1.61 1.11 -1.26 -2.29 116.67 116.69 2jop s ASP 88 Ca 0.00 0.90 -0.22 0.00 0.18 0.00 0.00 52.55 53.41 2jop s ASP 88 Cb 0.00 -1.46 -0.09 0.00 1.07 0.00 0.00 42.92 42.44 2jop s ASP 88 CO 0.00 -1.97 1.02 -2.16 1.18 0.00 0.00 175.17 173.24 2jop s PRO 89 N -5.46 4.03 -0.48 8.23 0.04 -1.26 -0.99 135.00 139.11 2jop s PRO 89 Ca 0.62 1.38 -0.44 0.00 0.04 0.00 0.00 61.00 62.60 2jop s PRO 89 Cb -0.12 -2.30 -0.19 0.00 0.04 0.00 0.00 34.50 31.94 2jop s PRO 89 CO 0.51 -0.24 1.69 1.47 0.04 0.00 0.00 177.00 180.47 2jop n LEU 90 N -0.53 1.01 -4.77 -3.56 -0.00 -1.24 -0.25 117.00 107.65 2jop n LEU 90 Ca 0.07 0.98 -0.38 0.00 -0.00 0.00 0.00 56.01 56.68 2jop n LEU 90 Cb 0.52 -0.84 -0.06 0.00 -0.00 0.00 0.00 43.42 43.04 2jop n LEU 90 CO 0.41 -0.78 0.68 -0.55 -0.00 0.00 0.00 177.39 177.16 2jop s SER 91 N 3.77 7.30 0.10 1.45 0.15 -0.33 -4.46 113.70 121.68 2jop s SER 91 Ca 1.04 1.96 -0.22 0.00 0.70 0.00 0.00 55.95 59.43 2jop s SER 91 Cb -1.43 -2.59 -0.07 0.00 -1.71 0.00 0.00 66.02 60.22 2jop s SER 91 CO 0.73 -0.10 0.67 -0.76 1.20 0.00 0.00 173.24 174.98 2jop s LEU 92 N -1.87 4.54 0.00 3.45 1.43 -1.26 -2.47 118.68 122.50 2jop s LEU 92 Ca 0.49 1.42 0.00 0.00 -1.03 0.00 0.00 54.13 55.01 2jop s LEU 92 Cb -0.23 -3.09 0.00 0.00 0.03 0.00 0.00 46.19 42.91 2jop s LEU 92 CO 0.29 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.69 2jop n GLY 93 N 1.78 1.30 3.66 -3.19 0.00 -1.06 -4.65 105.19 103.02 2jop n GLY 93 Ca -0.08 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2jop n GLY 93 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jop s PRO 94 N -2.00 4.10 0.11 1.61 0.02 -1.26 -0.07 135.00 137.52 2jop s PRO 94 Ca 0.00 2.31 -0.01 0.00 0.02 0.00 0.00 61.00 63.32 2jop s PRO 94 Cb 0.00 -4.07 -0.04 0.00 0.02 0.00 0.00 34.50 30.41 2jop s PRO 94 CO 0.00 -0.96 0.29 0.12 -0.33 0.00 0.00 177.00 176.12 2jop s PHE 95 N 4.43 3.50 -0.83 6.54 5.36 -0.20 -4.79 117.98 131.98 2jop s PHE 95 Ca 0.80 0.34 0.04 0.00 -0.96 0.00 0.00 56.93 57.15 2jop s PHE 95 Cb -0.36 -1.84 0.25 0.00 -0.34 0.00 0.00 43.02 40.73 2jop s PHE 95 CO 0.34 0.51 0.89 1.28 -1.46 0.00 0.00 175.22 176.78 2jop n LEU 96 N 0.05 2.37 -4.56 6.12 4.77 -1.26 -4.77 117.00 119.72 2jop n LEU 96 Ca -0.04 -1.20 -0.30 0.00 -0.03 0.00 0.00 56.01 54.44 2jop n LEU 96 Cb 0.52 -0.54 -0.10 0.00 -2.33 0.00 0.00 43.42 40.97 2jop n LEU 96 CO 0.50 0.36 -0.43 -0.54 -1.33 0.00 0.00 177.39 175.96 2jop s LYS 97 N -1.54 2.20 0.12 3.23 -0.14 -1.26 -5.13 119.74 117.22 2jop s LYS 97 Ca 0.16 -0.96 0.03 0.00 -1.36 0.00 0.00 55.97 53.85 2jop s LYS 97 Cb 0.12 -2.32 -0.04 0.00 -1.68 0.00 0.00 37.83 33.91 2jop s LYS 97 CO 0.05 0.53 0.14 -0.08 -0.76 0.00 0.00 175.35 175.24 2jop s THR 98 N -1.11 4.72 0.00 2.17 -1.32 -1.26 -4.79 115.64 114.05 2jop s THR 98 Ca 0.19 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 59.84 2jop s THR 98 Cb -0.11 -3.35 0.00 0.00 -1.51 0.00 0.00 72.50 67.53 2jop s THR 98 CO 0.11 0.01 0.00 0.00 -2.21 0.00 0.00 174.62 172.53 2jop n TYR 99 N 0.00 -1.82 -3.60 9.09 4.11 -1.26 -5.11 117.16 118.57 2jop n TYR 99 Ca -0.08 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.53 2jop n TYR 99 Cb 0.53 0.00 -0.15 0.00 -0.00 0.00 0.00 39.34 39.72 2jop n TYR 99 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.86 177.85 2jop s THR 100 N 0.95 0.16 -1.00 -3.48 2.01 -1.26 -5.04 115.64 107.97 2jop s THR 100 Ca 0.00 -0.80 -0.26 0.00 0.31 0.00 0.00 61.69 60.94 2jop s THR 100 Cb 0.00 -1.07 -0.19 0.00 0.01 0.00 0.00 72.50 71.24 2jop s THR 100 CO 0.00 -0.62 2.19 -2.16 -0.69 0.00 0.00 174.62 173.34 2jop s PRO 101 N 1.99 1.35 0.00 4.92 0.04 -1.26 -0.21 135.00 141.82 2jop s PRO 101 Ca 0.08 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2jop s PRO 101 Cb -0.16 -4.94 0.00 0.00 0.04 0.00 0.00 34.50 29.44 2jop s PRO 101 CO -0.29 -5.15 0.00 0.94 0.04 0.00 0.00 177.00 172.55 2jop n GLN 102 N 8.37 0.00 0.03 4.56 -0.06 -1.26 -4.91 117.38 124.11 2jop n GLN 102 Ca 0.43 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.45 2jop n GLN 102 Cb 0.46 0.00 -0.08 0.00 -4.06 0.00 0.00 30.24 26.56 2jop n GLN 102 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 2jop n SER 103 N 0.00 0.72 -4.85 1.69 7.64 -0.98 -4.88 113.62 112.96 2jop n SER 103 Ca 0.00 0.31 -0.32 0.00 1.01 0.00 0.00 58.87 59.87 2jop n SER 103 Cb 0.00 0.43 -0.05 0.00 -1.01 0.00 0.00 64.21 63.58 2jop n SER 103 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2jop s SER 104 N -5.57 6.71 0.05 6.43 0.15 0.70 -4.28 113.70 117.88 2jop s SER 104 Ca -0.03 1.26 -0.02 0.00 0.70 0.00 0.00 55.95 57.85 2jop s SER 104 Cb 0.09 -2.37 -0.03 0.00 -1.71 0.00 0.00 66.02 62.00 2jop s SER 104 CO 0.82 -0.27 0.00 0.27 1.20 0.00 0.00 173.24 175.26 2jop s ILE 105 N -2.11 0.18 -0.40 6.45 -5.25 -0.74 -4.06 121.20 115.28 2jop s ILE 105 Ca 0.54 -1.52 -0.08 0.00 -0.99 0.00 0.00 60.65 58.61 2jop s ILE 105 Cb -0.10 -1.21 0.08 0.00 2.95 0.00 0.00 42.46 44.18 2jop s ILE 105 CO 0.21 -0.84 0.22 -0.63 -1.79 0.00 0.00 174.94 172.12 2jop s ILE 106 N -3.32 3.98 -0.50 8.37 1.01 -0.17 -2.62 121.20 127.95 2jop s ILE 106 Ca 0.01 -1.46 -0.18 0.00 0.00 0.00 0.00 60.65 59.03 2jop s ILE 106 Cb 0.03 -3.45 0.07 0.00 0.01 0.00 0.00 42.46 39.12 2jop s ILE 106 CO -0.08 -0.47 0.56 0.00 0.00 0.00 0.00 174.94 174.95 2jop n TYR 108 N 5.88 -3.99 0.00 0.00 4.01 -1.26 -0.11 117.16 121.69 2jop n TYR 108 Ca -0.08 -1.14 0.00 0.00 -0.16 0.00 0.00 57.90 56.51 2jop n TYR 108 Cb 0.45 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.46 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 -3.62 0.48 3.76 2.72 0.00 -1.26 -4.46 105.19 102.82 2jop n GLY 109 Ca 0.16 -2.24 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 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 4.11 -0.24 1.61 0.74 -1.26 -4.53 119.66 120.09 2jop s GLN 110 Ca 0.00 0.14 -0.33 0.00 0.05 0.00 0.00 55.36 55.23 2jop s GLN 110 Cb 0.00 -3.37 -0.10 0.00 1.10 0.00 0.00 33.01 30.65 2jop s GLN 110 CO 0.00 0.37 2.12 -0.11 -0.55 0.00 0.00 175.29 177.12 2jop n LEU 111 N 3.11 2.81 0.00 3.68 7.94 -1.26 -0.41 117.00 132.87 2jop n LEU 111 Ca -0.13 0.50 0.00 0.00 -1.11 0.00 0.00 56.01 55.27 2jop n LEU 111 Cb 0.52 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.09 2jop n LEU 111 CO 0.39 -0.54 0.00 0.61 -1.11 0.00 0.00 177.39 176.73 2jop n GLY 112 N 5.74 0.83 3.39 -3.96 0.00 -1.26 -5.01 105.19 104.92 2jop n GLY 112 Ca 0.33 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.16 6.63 -0.63 1.61 0.01 0.46 -3.61 113.70 117.00 2jop s SER 113 Ca 0.00 -2.22 -0.04 0.00 1.31 0.00 0.00 55.95 55.00 2jop s SER 113 Cb 0.00 -2.31 0.11 0.00 0.21 0.00 0.00 66.02 64.03 2jop s SER 113 CO 0.00 -0.87 2.61 0.49 0.41 0.00 0.00 173.24 175.88 2jop n PHE 114 N 5.49 1.92 0.19 2.43 3.01 0.64 -4.10 117.46 127.03 2jop n PHE 114 Ca 0.16 -2.12 0.02 0.00 1.01 0.00 0.00 57.45 56.52 2jop n PHE 114 Cb 0.47 -1.41 0.00 0.00 -0.01 0.00 0.00 39.48 38.53 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 0.80 0.93 -4.12 4.37 7.64 -1.26 -4.73 113.62 117.25 2jop n SER 115 Ca 0.51 -0.96 -0.15 0.00 1.01 0.00 0.00 58.87 59.28 2jop n SER 115 Cb 0.47 0.37 -0.11 0.00 -1.01 0.00 0.00 64.21 63.93 2jop n SER 115 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2jop s ASN 116 N -0.74 1.20 0.32 6.43 0.01 -1.26 -5.10 114.94 115.80 2jop s ASN 116 Ca 0.04 -0.64 -0.19 0.00 -0.71 0.00 0.00 52.86 51.37 2jop s ASN 116 Cb 0.03 0.01 0.04 0.00 0.41 0.00 0.00 41.25 41.75 2jop s ASN 116 CO 0.09 -0.19 0.78 0.00 -1.51 0.00 0.00 177.10 176.28 2jop n SER 118 N -0.98 -1.74 -4.85 0.00 7.64 0.09 -4.75 113.62 109.04 2jop n SER 118 Ca -0.06 -2.82 -0.30 0.00 1.01 0.00 0.00 58.87 56.70 2jop n SER 118 Cb 0.60 3.07 0.08 0.00 -1.01 0.00 0.00 64.21 66.95 2jop n SER 118 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2jop s HIS 119 N -2.60 2.99 -2.08 1.43 3.76 -1.26 -1.00 115.29 116.54 2jop s HIS 119 Ca 0.25 1.01 0.14 0.00 -0.15 0.00 0.00 55.06 56.30 2jop s HIS 119 Cb -0.02 -3.20 0.59 0.00 1.11 0.00 0.00 32.58 31.05 2jop s HIS 119 CO 0.18 -1.63 1.41 -1.13 -0.85 0.00 0.00 174.74 172.72 2jop n SER 120 N -3.30 0.93 -0.52 1.40 3.41 -1.26 -3.27 113.62 111.01 2jop n SER 120 Ca 0.07 -1.76 0.11 0.00 -0.26 0.00 0.00 58.87 57.03 2jop n SER 120 Cb 0.58 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2jop n SER 120 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2jop n ARG 121 N -0.10 1.31 0.00 4.33 3.00 -1.26 -3.58 116.66 120.37 2jop n ARG 121 Ca 0.11 -1.05 0.00 0.00 -0.00 0.00 0.00 57.85 56.91 2jop n ARG 121 Cb 0.18 -1.46 0.00 0.00 0.00 0.00 0.00 32.46 31.18 2jop n ARG 121 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 2jop n ASN 122 N 0.06 0.00 0.00 6.15 4.13 -1.22 -4.20 115.26 120.18 2jop n ASN 122 Ca 0.09 0.70 0.11 0.00 1.68 0.00 0.00 54.58 57.16 2jop n ASN 122 Cb 0.47 -0.37 -0.08 0.00 -1.54 0.00 0.00 39.78 38.26 2jop n ASN 122 CO 0.00 0.00 0.00 -0.90 0.28 0.00 0.00 177.26 176.64 2jop n ASP 123 N -1.61 0.67 -3.09 6.41 5.68 -1.26 -5.02 116.55 118.32 2jop n ASP 123 Ca 0.00 -0.56 -0.02 0.00 -0.50 0.00 0.00 54.79 53.71 2jop n ASP 123 Cb 0.00 1.13 0.00 0.00 -1.14 0.00 0.00 41.12 41.12 2jop n ASP 123 CO 0.00 0.00 0.00 0.23 -1.33 0.00 0.00 177.20 176.10 2jop n MET 124 N -1.77 -1.39 -1.61 0.11 2.81 -1.23 -4.89 117.12 109.15 2jop n MET 124 Ca 0.02 1.44 -0.52 0.00 -1.81 0.00 0.00 57.70 56.83 2jop n MET 124 Cb 0.41 -5.69 -0.06 0.00 -0.71 0.00 0.00 33.22 27.17 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 2.84 2.80 -4.29 0.00 8.25 -1.26 -4.60 115.22 118.97 2jop n HIS 126 Ca 0.19 -3.00 -0.35 0.00 -0.26 0.00 0.00 57.72 54.31 2jop n HIS 126 Cb 0.20 -2.36 -0.06 0.00 1.12 0.00 0.00 29.99 28.88 2jop n HIS 126 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2jop n SER 127 N 4.02 -1.18 -4.75 0.41 3.41 -1.26 -4.57 113.62 109.70 2jop n SER 127 Ca 0.65 -1.15 -0.41 0.00 -0.26 0.00 0.00 58.87 57.70 2jop n SER 127 Cb 0.29 -2.18 -0.02 0.00 -0.26 0.00 0.00 64.21 62.04 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 -7.24 4.36 0.47 1.04 2.01 -1.25 -1.03 118.68 117.04 2jop s LEU 128 Ca 0.43 2.87 0.05 0.00 0.01 0.00 0.00 54.13 57.49 2jop s LEU 128 Cb -0.24 -3.63 -0.03 0.00 0.01 0.00 0.00 46.19 42.30 2jop s LEU 128 CO 0.97 -0.87 0.11 -0.83 1.01 0.00 0.00 176.35 176.74 2jop s GLY 129 N 0.52 2.65 -0.10 -3.19 0.00 0.91 -4.00 107.32 104.10 2jop s GLY 129 Ca 0.63 -1.35 -0.03 0.00 0.00 0.00 0.00 44.72 43.97 2jop s GLY 129 CO 0.46 -2.07 0.10 1.08 0.00 0.00 0.00 173.10 172.66 2jop s LEU 130 N -3.91 0.16 -0.28 0.66 1.43 -0.77 -2.57 118.68 113.41 2jop s LEU 130 Ca 0.25 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.21 2jop s LEU 130 Cb 0.03 -0.08 0.08 0.00 0.03 0.00 0.00 46.19 46.26 2jop s LEU 130 CO 0.14 -0.29 0.02 -0.89 0.23 0.00 0.00 176.35 175.55 2jop s THR 131 N 2.19 1.46 -0.33 5.49 2.01 -1.03 -2.24 115.64 123.19 2jop s THR 131 Ca 0.04 -1.49 -0.39 0.00 0.31 0.00 0.00 61.69 60.16 2jop s THR 131 Cb -0.14 -1.92 -0.14 0.00 0.01 0.00 0.00 72.50 70.31 2jop s THR 131 CO -0.06 -0.38 1.96 0.00 -0.69 0.00 0.00 174.62 175.45 2jop n LEU 133 N 7.34 0.00 -0.17 0.00 7.94 0.65 -4.61 117.00 128.16 2jop n LEU 133 Ca 0.35 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 55.28 2jop n LEU 133 Cb 0.15 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.12 2jop n LEU 133 CO 0.80 0.00 0.32 -1.84 -1.11 0.00 0.00 177.39 175.56