#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jop s ILE 2 N 0.00 1.75 -0.02 1.12 1.01 -0.01 -4.96 121.20 120.08 1jop s ILE 2 Ca 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.73 1jop s ILE 2 Cb 0.00 -1.49 0.00 0.00 0.01 0.00 0.00 42.46 40.98 1jop s ILE 2 CO 0.00 0.49 0.07 -0.63 0.00 0.00 0.00 174.94 174.87 1jop s ILE 3 N -0.04 0.01 0.00 2.92 1.01 -1.26 -0.48 121.20 123.36 1jop s ILE 3 Ca -0.04 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1jop s ILE 3 Cb -0.13 -0.13 0.00 0.00 0.01 0.00 0.00 42.46 42.21 1jop s ILE 3 CO 0.03 -0.05 0.00 -0.24 0.00 0.00 0.00 174.94 174.68 1jop n SER 4 N 2.89 0.00 -3.74 3.58 2.88 -1.07 -5.01 113.62 113.15 1jop n SER 4 Ca -0.13 -0.32 -0.12 0.00 -1.33 0.00 0.00 58.87 56.96 1jop n SER 4 Cb 0.59 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.93 1jop n SER 4 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1jop s SER 5 N 1.03 -0.32 0.00 -3.46 0.15 -1.26 -0.66 113.70 109.18 1jop s SER 5 Ca 0.00 0.60 0.19 0.00 0.70 0.00 0.00 55.95 57.44 1jop s SER 5 Cb 0.00 0.53 0.87 0.00 -1.71 0.00 0.00 66.02 65.71 1jop s SER 5 CO 0.00 -0.14 1.61 0.18 1.20 0.00 0.00 173.24 176.09 1jop n LEU 6 N 3.71 0.00 0.10 3.45 4.77 0.15 -1.41 117.00 127.77 1jop n LEU 6 Ca -0.20 0.44 -0.05 0.00 -0.03 0.00 0.00 56.01 56.17 1jop n LEU 6 Cb 0.55 -0.44 0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1jop n LEU 6 CO 0.14 -0.15 0.32 0.74 -1.33 0.00 0.00 177.39 177.11 1jop h THR 7 N 0.00 1.56 -4.10 -5.08 2.02 -1.92 -3.47 112.91 101.91 1jop h THR 7 Ca 0.00 -2.70 -0.53 0.00 0.77 0.00 0.00 66.41 63.95 1jop h THR 7 Cb 0.29 2.46 0.12 0.00 -1.74 0.00 0.00 68.15 69.28 1jop h THR 7 CO 0.00 0.77 0.48 0.20 0.37 0.00 0.00 175.52 177.34 1jop s ASN 8 N -6.81 5.03 0.08 4.18 0.02 -0.50 -5.00 114.94 111.94 1jop s ASN 8 Ca -0.01 2.44 -0.17 0.00 -1.02 0.00 0.00 52.86 54.10 1jop s ASN 8 Cb 0.11 -2.60 -0.09 0.00 0.02 0.00 0.00 41.25 38.69 1jop s ASN 8 CO 0.79 -1.70 1.45 -0.65 0.02 0.00 0.00 177.10 177.02 1jop h PRO 9 N 0.77 0.54 -0.51 -0.60 0.11 -1.91 -3.33 132.00 127.06 1jop h PRO 9 Ca -0.50 -0.23 0.00 0.00 0.11 0.00 0.00 66.00 65.38 1jop h PRO 9 Cb 1.31 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1jop h PRO 9 CO 0.54 0.78 0.00 0.09 -0.21 0.00 0.00 178.00 179.21 1jop n ASN 10 N -4.48 3.95 0.00 -2.05 3.02 -1.26 -4.52 115.26 109.93 1jop n ASN 10 Ca -0.04 -2.33 0.00 0.00 -0.03 0.00 0.00 54.58 52.19 1jop n ASN 10 Cb 0.34 -0.45 0.00 0.00 -0.61 0.00 0.00 39.78 39.06 1jop n ASN 10 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 1jop n PHE 11 N 0.78 0.00 0.21 3.10 1.16 -1.25 0.11 117.46 121.56 1jop n PHE 11 Ca 0.21 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.81 1jop n PHE 11 Cb 0.71 0.00 -0.00 0.00 -1.61 0.00 0.00 39.48 38.57 1jop n PHE 11 CO 0.00 0.00 0.00 1.17 -1.87 0.00 0.00 176.76 176.06 1jop n LYS 12 N -0.41 2.96 -2.30 3.97 4.81 -1.26 -4.82 118.16 121.12 1jop n LYS 12 Ca 0.00 -0.35 -0.42 0.00 -0.87 0.00 0.00 58.31 56.67 1jop n LYS 12 Cb 0.11 -0.88 -0.03 0.00 0.02 0.00 0.00 35.03 34.26 1jop n LYS 12 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1jop s VAL 13 N -0.97 3.84 0.00 3.15 1.01 0.30 -2.63 120.40 125.10 1jop s VAL 13 Ca 0.03 1.24 0.00 0.00 0.00 0.00 0.00 61.98 63.26 1jop s VAL 13 Cb 0.04 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1jop s VAL 13 CO 0.13 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.86 1jop n GLY 14 N 3.49 3.17 3.79 4.51 0.00 -1.26 -5.03 105.19 113.86 1jop n GLY 14 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1jop n GLY 14 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jop s LEU 15 N 0.00 4.13 0.54 0.99 1.43 -1.08 -5.05 118.68 119.65 1jop s LEU 15 Ca 0.00 1.86 -0.07 0.00 -1.03 0.00 0.00 54.13 54.89 1jop s LEU 15 Cb 0.00 -4.26 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 1jop s LEU 15 CO 0.00 -0.33 0.89 -2.16 0.23 0.00 0.00 176.35 174.98 1jop s PRO 16 N -2.59 3.54 0.21 1.29 0.04 -1.26 -4.81 135.00 131.41 1jop s PRO 16 Ca 0.57 0.41 -0.09 0.00 0.04 0.00 0.00 61.00 61.92 1jop s PRO 16 Cb -0.17 -2.26 0.27 0.00 0.04 0.00 0.00 34.50 32.39 1jop s PRO 16 CO 0.21 -0.37 1.76 0.87 0.04 0.00 0.00 177.00 179.51 1jop h LYS 17 N -0.01 0.45 -0.13 4.56 1.57 -1.96 0.46 116.57 121.52 1jop h LYS 17 Ca -0.46 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 1jop h LYS 17 Cb 1.20 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 1jop h LYS 17 CO 0.62 0.30 0.08 0.28 -0.57 0.00 0.00 179.45 180.15 1jop h VAL 18 N 0.47 1.07 0.04 0.50 2.07 -1.94 5.36 116.25 123.81 1jop h VAL 18 Ca 0.30 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.65 1jop h VAL 18 Cb 0.34 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1jop h VAL 18 CO -0.27 0.06 -0.02 0.40 0.02 0.00 0.00 177.57 177.76 1jop h ILE 19 N 0.13 1.23 -0.72 4.57 2.04 -0.58 0.17 117.51 124.35 1jop h ILE 19 Ca 0.04 -0.90 0.10 0.00 1.00 0.00 0.00 64.86 65.11 1jop h ILE 19 Cb 0.03 1.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.86 1jop h ILE 19 CO -0.01 0.23 0.36 0.00 0.00 0.00 0.00 178.15 178.72 1jop h ALA 20 N 0.49 1.00 -0.69 1.87 0.00 -0.16 1.48 119.26 123.25 1jop h ALA 20 Ca -0.01 0.06 0.16 0.00 0.00 0.00 0.00 54.91 55.12 1jop h ALA 20 Cb 0.41 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1jop h ALA 20 CO 0.01 -0.05 0.47 0.93 0.00 0.00 0.00 179.25 180.61 1jop h GLU 21 N 0.60 0.24 0.01 0.00 5.08 1.19 -1.95 114.58 119.76 1jop h GLU 21 Ca 0.36 -0.01 -0.34 0.00 -1.00 0.00 0.00 59.36 58.37 1jop h GLU 21 Cb 0.39 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.53 1jop h GLU 21 CO -0.28 0.16 -2.08 0.28 -1.00 0.00 0.00 179.01 176.09 1jop n VAL 22 N -4.43 1.52 0.23 3.13 0.31 0.70 -3.18 118.33 116.61 1jop n VAL 22 Ca 0.13 -0.80 0.08 0.00 -0.01 0.00 0.00 64.34 63.74 1jop n VAL 22 Cb 0.58 -0.87 0.56 0.00 -0.91 0.00 0.00 33.84 33.20 1jop n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jop h ASP 24 N 0.00 -0.14 -0.10 0.00 3.32 -1.46 -2.90 116.42 115.14 1jop h ASP 24 Ca -0.00 -0.20 0.04 0.00 0.02 0.00 0.00 57.03 56.89 1jop h ASP 24 Cb 0.39 0.04 -0.06 0.00 0.22 0.00 0.00 39.33 39.91 1jop h ASP 24 CO 0.03 0.13 -0.44 0.22 -1.72 0.00 0.00 179.24 177.46 1jop h TYR 25 N -0.41 -1.26 -0.78 4.55 3.20 -1.32 1.60 116.97 122.57 1jop h TYR 25 Ca -0.02 0.05 0.22 0.00 3.14 0.00 0.00 58.73 62.13 1jop h TYR 25 Cb 0.33 0.56 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1jop h TYR 25 CO 0.01 -0.49 0.88 -0.07 -1.64 0.00 0.00 178.16 176.85 1jop h LEU 26 N -0.52 0.00 -0.06 2.82 3.38 -0.92 0.34 115.31 120.34 1jop h LEU 26 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1jop h LEU 26 Cb 0.64 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.39 1jop h LEU 26 CO -0.39 0.00 -0.39 0.59 0.09 0.00 0.00 178.44 178.35 1jop n ASN 27 N -3.45 0.48 0.00 -0.43 3.02 0.54 -2.58 115.26 112.84 1jop n ASN 27 Ca 0.17 -0.23 0.07 0.00 -0.03 0.00 0.00 54.58 54.56 1jop n ASN 27 Cb 1.14 0.12 0.43 0.00 -0.61 0.00 0.00 39.78 40.86 1jop n ASN 27 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 1jop n THR 28 N -1.39 0.00 -4.07 3.41 -1.04 0.12 -4.91 114.28 106.40 1jop n THR 28 Ca 0.07 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.96 1jop n THR 28 Cb 0.33 -0.27 -0.11 0.00 -1.82 0.00 0.00 70.33 68.47 1jop n THR 28 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1jop s LEU 29 N -1.48 2.31 -1.08 -4.42 1.43 -1.07 -5.05 118.68 109.32 1jop s LEU 29 Ca 0.22 -0.64 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 1jop s LEU 29 Cb 0.10 -0.10 0.14 0.00 0.03 0.00 0.00 46.19 46.36 1jop s LEU 29 CO 0.17 -0.28 1.31 -0.62 0.23 0.00 0.00 176.35 177.16 1jop s ASP 30 N -1.87 6.83 0.00 2.29 2.15 -1.26 -4.77 116.67 120.04 1jop s ASP 30 Ca -0.06 -2.45 0.00 0.00 0.43 0.00 0.00 52.55 50.47 1jop s ASP 30 Cb -0.07 -2.42 0.01 0.00 -0.30 0.00 0.00 42.92 40.14 1jop s ASP 30 CO -0.01 -0.96 0.74 0.18 -0.17 0.00 0.00 175.17 174.95 1jop n LEU 31 N 6.39 0.00 0.09 -1.34 4.77 -1.26 0.24 117.00 125.89 1jop n LEU 31 Ca 0.31 0.23 -0.22 0.00 -0.03 0.00 0.00 56.01 56.30 1jop n LEU 31 Cb 0.46 -0.23 -0.14 0.00 -2.33 0.00 0.00 43.42 41.18 1jop n LEU 31 CO 0.58 -0.23 -0.06 0.78 -1.33 0.00 0.00 177.39 177.13 1jop h ASN 32 N 0.00 0.74 -0.02 -1.43 2.35 -1.95 -3.25 115.58 112.03 1jop h ASN 32 Ca 0.00 -0.88 0.01 0.00 -0.55 0.00 0.00 56.30 54.88 1jop h ASN 32 Cb 0.00 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.13 1jop h ASN 32 CO 0.00 1.55 0.13 0.00 -1.65 0.00 0.00 177.43 177.46 1jop h ALA 33 N 0.20 1.21 -2.40 -0.83 0.00 0.27 -3.46 119.26 114.25 1jop h ALA 33 Ca -0.19 -0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.18 1jop h ALA 33 Cb 1.86 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 1jop h ALA 33 CO 0.22 -0.14 0.39 -0.51 0.00 0.00 0.00 179.25 179.21 1jop s LEU 34 N -6.25 4.35 0.31 0.00 1.43 -1.22 -4.92 118.68 112.38 1jop s LEU 34 Ca -0.04 1.63 -0.29 0.00 -1.03 0.00 0.00 54.13 54.39 1jop s LEU 34 Cb 0.12 -3.55 -0.12 0.00 0.03 0.00 0.00 46.19 42.66 1jop s LEU 34 CO 0.39 -0.28 1.43 -0.62 0.23 0.00 0.00 176.35 177.49 1jop n GLU 35 N 4.04 2.32 -1.60 1.70 1.02 -1.26 -4.91 120.64 121.95 1jop n GLU 35 Ca 0.06 0.82 -0.36 0.00 -0.02 0.00 0.00 57.16 57.66 1jop n GLU 35 Cb 0.51 -2.49 0.08 0.00 -0.02 0.00 0.00 31.44 29.51 1jop n GLU 35 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1jop n ASN 36 N 1.46 1.63 0.00 1.62 3.02 -1.26 -4.73 115.26 116.99 1jop n ASN 36 Ca 0.07 0.78 0.00 0.00 -0.03 0.00 0.00 54.58 55.40 1jop n ASN 36 Cb 0.35 -1.52 0.00 0.00 -0.61 0.00 0.00 39.78 38.01 1jop n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jop n GLY 37 N 0.94 0.31 3.62 7.41 0.00 -0.26 -4.94 105.19 112.26 1jop n GLY 37 Ca 0.15 -2.30 -0.39 0.00 0.00 0.00 0.00 46.02 43.48 1jop n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1jop s ARG 38 N 0.00 4.06 0.06 1.61 3.52 -1.26 0.32 118.95 127.26 1jop s ARG 38 Ca 0.00 0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.87 1jop s ARG 38 Cb 0.00 -3.64 -0.04 0.00 -1.56 0.00 0.00 34.95 29.71 1jop s ARG 38 CO 0.00 -0.29 -0.11 -1.01 -0.81 0.00 0.00 175.30 173.08 1jop s HIS 39 N 2.12 2.74 -0.06 5.12 3.76 -0.85 -4.99 115.29 123.13 1jop s HIS 39 Ca 0.19 -0.14 0.01 0.00 -0.15 0.00 0.00 55.06 54.97 1jop s HIS 39 Cb -0.16 -1.50 -0.03 0.00 1.11 0.00 0.00 32.58 32.01 1jop s HIS 39 CO 0.09 0.37 -0.07 -0.51 -0.85 0.00 0.00 174.74 173.77 1jop s ASP 40 N -1.76 4.61 -0.05 1.40 1.01 -1.26 -0.67 116.67 119.94 1jop s ASP 40 Ca 0.18 -0.05 0.03 0.00 0.71 0.00 0.00 52.55 53.43 1jop s ASP 40 Cb -0.11 -1.13 -0.05 0.00 1.01 0.00 0.00 42.92 42.63 1jop s ASP 40 CO 0.10 0.35 0.00 -0.38 0.21 0.00 0.00 175.17 175.45 1jop n ILE 41 N 2.13 0.32 -3.81 0.77 5.41 0.74 -4.96 119.36 119.96 1jop n ILE 41 Ca -0.18 -0.18 -0.10 0.00 1.00 0.00 0.00 62.75 63.30 1jop n ILE 41 Cb 0.53 -0.84 -0.06 0.00 -0.71 0.00 0.00 39.64 38.56 1jop n ILE 41 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1jop s ASN 42 N -3.78 -0.06 0.32 4.38 -0.87 -1.15 -4.93 114.94 108.85 1jop s ASN 42 Ca -0.03 -0.61 0.00 0.00 -1.57 0.00 0.00 52.86 50.65 1jop s ASN 42 Cb 0.02 0.45 0.53 0.00 -0.02 0.00 0.00 41.25 42.22 1jop s ASN 42 CO 0.18 -0.87 1.98 0.44 -2.57 0.00 0.00 177.10 176.26 1jop h ASP 43 N 2.49 0.86 1.63 -1.22 3.32 -2.05 -2.90 116.42 118.54 1jop h ASP 43 Ca -0.32 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.71 1jop h ASP 43 Cb 1.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.57 1jop h ASP 43 CO 0.48 0.61 -0.09 1.56 -1.72 0.00 0.00 179.24 180.08 1jop h GLN 44 N 1.01 0.00 -4.13 3.56 1.08 -2.00 -3.46 115.11 111.17 1jop h GLN 44 Ca 0.29 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.99 1jop h GLN 44 Cb -0.07 0.00 -0.37 0.00 -0.05 0.00 0.00 27.48 26.99 1jop h GLN 44 CO -0.07 0.00 -0.79 0.42 -0.95 0.00 0.00 178.83 177.44 1jop s ILE 45 N -3.16 0.85 0.52 2.54 1.01 -1.10 -4.70 121.20 117.17 1jop s ILE 45 Ca 0.08 -0.20 0.01 0.00 0.00 0.00 0.00 60.65 60.54 1jop s ILE 45 Cb 0.09 -0.89 0.00 0.00 0.01 0.00 0.00 42.46 41.67 1jop s ILE 45 CO 0.64 0.33 0.06 -0.72 0.00 0.00 0.00 174.94 175.25 1jop s TYR 46 N 1.58 1.77 -0.00 3.97 1.13 -1.06 -0.18 117.35 124.55 1jop s TYR 46 Ca 0.01 -0.97 -0.02 0.00 -1.41 0.00 0.00 57.07 54.69 1jop s TYR 46 Cb -0.13 -1.64 -0.00 0.00 -1.10 0.00 0.00 41.96 39.09 1jop s TYR 46 CO -0.05 0.11 0.04 1.41 -2.51 0.00 0.00 175.55 174.55 1jop s MET 47 N -3.95 0.23 -0.24 -3.49 -2.45 0.15 0.73 119.30 110.28 1jop s MET 47 Ca 0.07 -0.27 -0.07 0.00 -1.25 0.00 0.00 55.69 54.18 1jop s MET 47 Cb 0.00 0.09 -0.03 0.00 1.25 0.00 0.00 34.83 36.15 1jop s MET 47 CO 0.04 -0.04 0.05 -0.80 1.05 0.00 0.00 175.02 175.32 1jop s ASN 48 N -0.79 5.04 0.10 1.11 0.01 0.06 -2.01 114.94 118.46 1jop s ASN 48 Ca -0.09 -0.21 -0.11 0.00 -0.71 0.00 0.00 52.86 51.74 1jop s ASN 48 Cb -0.05 -1.89 -0.06 0.00 0.41 0.00 0.00 41.25 39.65 1jop s ASN 48 CO -0.00 -0.01 0.45 -0.69 -1.51 0.00 0.00 177.10 175.34 1jop s VAL 49 N 1.44 5.02 -0.30 1.60 1.01 0.15 -1.02 120.40 128.30 1jop s VAL 49 Ca 0.05 0.59 -0.09 0.00 0.00 0.00 0.00 61.98 62.54 1jop s VAL 49 Cb -0.15 -3.68 0.16 0.00 0.00 0.00 0.00 36.38 32.71 1jop s VAL 49 CO 0.03 0.29 0.73 0.00 0.00 0.00 0.00 175.10 176.15 1jop s MET 50 N -1.88 0.49 -0.73 2.72 0.23 -0.63 -1.11 119.30 118.40 1jop s MET 50 Ca 0.34 1.11 -0.10 0.00 -1.03 0.00 0.00 55.69 56.00 1jop s MET 50 Cb -0.14 0.65 0.19 0.00 -1.53 0.00 0.00 34.83 34.00 1jop s MET 50 CO 0.18 -0.30 0.63 -1.21 -2.03 0.00 0.00 175.02 172.29 1jop s GLU 51 N 2.81 3.18 0.00 3.16 2.02 -1.26 -2.14 118.70 126.47 1jop s GLU 51 Ca 0.03 -2.42 0.00 0.00 0.02 0.00 0.00 54.97 52.60 1jop s GLU 51 Cb -0.12 -4.17 0.00 0.00 0.10 0.00 0.00 34.13 29.95 1jop s GLU 51 CO -0.19 -1.25 0.00 -2.30 0.02 0.00 0.00 175.26 171.54 1jop n PRO 52 N 3.91 2.81 -1.48 0.39 -0.02 -1.25 -5.05 135.00 134.30 1jop n PRO 52 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1jop n PRO 52 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.91 1jop n PRO 52 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jop n LYS 61 N 0.00 -0.38 -1.73 -0.52 5.02 -1.26 -4.97 118.16 114.32 1jop n LYS 61 Ca 0.00 0.27 -0.30 0.00 -2.02 0.00 0.00 58.31 56.27 1jop n LYS 61 Cb 0.00 -0.77 0.17 0.00 -0.02 0.00 0.00 35.03 34.42 1jop n LYS 61 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1jop s ALA 62 N -1.27 1.97 0.12 7.82 0.00 0.95 -4.79 121.76 126.57 1jop s ALA 62 Ca 0.00 -0.97 -0.11 0.00 0.00 0.00 0.00 51.96 50.88 1jop s ALA 62 Cb 0.00 -2.86 0.01 0.00 0.00 0.00 0.00 23.12 20.26 1jop s ALA 62 CO 0.00 -2.48 0.28 -2.00 0.00 0.00 0.00 175.76 171.56 1jop s GLU 63 N -5.67 1.00 0.03 0.00 2.12 -0.90 -2.14 118.70 113.14 1jop s GLU 63 Ca 0.70 -0.96 -0.22 0.00 0.36 0.00 0.00 54.97 54.85 1jop s GLU 63 Cb -0.08 0.39 0.05 0.00 0.26 0.00 0.00 34.13 34.75 1jop s GLU 63 CO 0.53 -0.36 0.50 -1.17 -0.54 0.00 0.00 175.26 174.22 1jop s LEU 64 N -2.88 0.05 0.10 2.70 0.20 -0.61 -1.18 118.68 117.05 1jop s LEU 64 Ca 0.08 0.21 0.07 0.00 0.69 0.00 0.00 54.13 55.18 1jop s LEU 64 Cb 0.03 2.01 -0.03 0.00 -0.43 0.00 0.00 46.19 47.77 1jop s LEU 64 CO -0.08 -0.66 -0.18 -1.00 -0.29 0.00 0.00 176.35 174.15 1jop s HIS 65 N -2.14 1.54 -0.03 5.38 3.76 -1.26 -1.22 115.29 121.32 1jop s HIS 65 Ca -0.07 -0.45 0.10 0.00 -0.15 0.00 0.00 55.06 54.49 1jop s HIS 65 Cb -0.01 -0.84 -0.23 0.00 1.11 0.00 0.00 32.58 32.60 1jop s HIS 65 CO 0.01 0.15 0.71 0.45 -0.85 0.00 0.00 174.74 175.21 1jop h HIS 66 N 4.04 0.06 0.00 1.40 -0.00 -1.93 -2.91 115.15 115.80 1jop h HIS 66 Ca -0.43 -0.04 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 1jop h HIS 66 Cb 1.19 -0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.60 1jop h HIS 66 CO 0.63 1.08 -0.90 0.39 -0.00 0.00 0.00 177.93 179.13 1jop n GLU 67 N -3.13 2.25 -4.04 2.45 1.02 -1.26 -4.83 120.64 113.10 1jop n GLU 67 Ca -0.16 -0.04 -0.17 0.00 -0.02 0.00 0.00 57.16 56.77 1jop n GLU 67 Cb 1.04 -1.10 -0.15 0.00 -0.02 0.00 0.00 31.44 31.21 1jop n GLU 67 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 1jop s TYR 68 N -2.29 0.40 0.50 -0.32 2.02 -1.26 -1.13 117.35 115.27 1jop s TYR 68 Ca 0.01 -0.06 -0.08 0.00 -0.37 0.00 0.00 57.07 56.56 1jop s TYR 68 Cb 0.07 -0.37 -0.04 0.00 -0.40 0.00 0.00 41.96 41.22 1jop s TYR 68 CO 0.43 -0.08 0.85 -0.48 -1.57 0.00 0.00 175.55 174.70 1jop s LEU 69 N 0.51 3.57 -0.07 -1.29 0.05 0.17 -4.37 118.68 117.25 1jop s LEU 69 Ca -0.05 1.12 0.01 0.00 0.05 0.00 0.00 54.13 55.25 1jop s LEU 69 Cb -0.09 -4.08 -0.03 0.00 -2.05 0.00 0.00 46.19 39.95 1jop s LEU 69 CO -0.01 -0.61 -0.05 -1.81 -0.55 0.00 0.00 176.35 173.31 1jop s ASP 70 N -3.89 4.76 -0.30 1.48 1.11 -0.09 -2.33 116.67 117.41 1jop s ASP 70 Ca 0.50 0.00 0.01 0.00 0.18 0.00 0.00 52.55 53.25 1jop s ASP 70 Cb -0.10 -1.22 0.09 0.00 1.07 0.00 0.00 42.92 42.75 1jop s ASP 70 CO 0.44 0.36 0.04 -0.69 1.18 0.00 0.00 175.17 176.49 1jop s VAL 71 N -0.84 1.57 -0.24 -1.27 1.01 0.60 -1.48 120.40 119.74 1jop s VAL 71 Ca 0.13 -1.68 -0.19 0.00 0.00 0.00 0.00 61.98 60.24 1jop s VAL 71 Cb -0.11 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.18 1jop s VAL 71 CO 0.02 -0.48 0.55 -1.10 0.00 0.00 0.00 175.10 174.10 1jop s GLN 72 N 1.30 4.12 -0.29 2.72 -0.21 0.87 0.03 119.66 128.20 1jop s GLN 72 Ca 0.05 0.42 0.02 0.00 0.02 0.00 0.00 55.36 55.88 1jop s GLN 72 Cb -0.18 -3.63 0.08 0.00 1.00 0.00 0.00 33.01 30.28 1jop s GLN 72 CO -0.13 -0.31 -0.01 0.08 -2.12 0.00 0.00 175.29 172.79 1jop s VAL 73 N 2.18 1.84 0.35 1.09 1.01 0.15 -0.56 120.40 126.45 1jop s VAL 73 Ca 0.24 -1.72 -0.27 0.00 0.00 0.00 0.00 61.98 60.23 1jop s VAL 73 Cb -0.16 -2.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.95 1jop s VAL 73 CO 0.09 -0.33 1.15 -0.22 0.00 0.00 0.00 175.10 175.79 1jop s LEU 74 N 1.19 4.33 0.00 3.92 2.96 -1.14 -0.17 118.68 129.77 1jop s LEU 74 Ca 0.01 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.24 1jop s LEU 74 Cb -0.19 -3.87 0.00 0.00 0.50 0.00 0.00 46.19 42.63 1jop s LEU 74 CO -0.09 -0.46 0.00 -0.38 -1.32 0.00 0.00 176.35 174.10 1jop n ILE 75 N 0.49 0.00 -3.74 6.68 5.41 0.37 0.07 119.36 128.65 1jop n ILE 75 Ca 0.02 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.65 1jop n ILE 75 Cb 0.46 -0.58 -0.07 0.00 -0.71 0.00 0.00 39.64 38.74 1jop n ILE 75 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1jop s ARG 76 N -1.92 0.81 0.16 0.38 0.52 0.16 -4.71 118.95 114.34 1jop s ARG 76 Ca 0.00 -0.41 0.00 0.00 -0.52 0.00 0.00 55.73 54.80 1jop s ARG 76 Cb 0.00 0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.82 1jop s ARG 76 CO 0.00 -0.26 0.00 0.41 0.02 0.00 0.00 175.30 175.47 1jop n GLY 77 N 0.71 -2.96 3.92 -3.53 0.00 -1.26 0.29 105.19 102.36 1jop n GLY 77 Ca -0.19 -1.28 -0.28 0.00 0.00 0.00 0.00 46.02 44.28 1jop n GLY 77 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jop s THR 78 N -3.79 5.13 -0.07 2.61 2.01 -1.26 -4.20 115.64 116.07 1jop s THR 78 Ca 0.00 -0.20 -0.12 0.00 0.31 0.00 0.00 61.69 61.68 1jop s THR 78 Cb 0.00 -3.73 0.03 0.00 0.01 0.00 0.00 72.50 68.80 1jop s THR 78 CO 0.00 -0.23 0.30 -0.70 -0.69 0.00 0.00 174.62 173.30 1jop s GLU 79 N -3.42 0.48 -0.16 4.92 2.12 0.51 -4.88 118.70 118.27 1jop s GLU 79 Ca 0.41 0.16 -0.03 0.00 0.36 0.00 0.00 54.97 55.87 1jop s GLU 79 Cb -0.11 0.22 -0.02 0.00 0.26 0.00 0.00 34.13 34.48 1jop s GLU 79 CO 0.29 -0.10 -0.05 -0.80 -0.54 0.00 0.00 175.26 174.06 1jop s ASN 80 N -0.46 4.56 -0.09 -1.70 -0.87 -1.26 0.13 114.94 115.24 1jop s ASN 80 Ca -0.06 -0.22 0.03 0.00 -1.57 0.00 0.00 52.86 51.04 1jop s ASN 80 Cb -0.04 -1.74 -0.01 0.00 -0.02 0.00 0.00 41.25 39.44 1jop s ASN 80 CO 0.02 0.13 -0.17 -0.63 -2.57 0.00 0.00 177.10 173.88 1jop s ILE 81 N 0.58 2.71 -0.03 0.60 1.01 -0.26 -3.29 121.20 122.52 1jop s ILE 81 Ca -0.04 -0.81 -0.24 0.00 0.00 0.00 0.00 60.65 59.57 1jop s ILE 81 Cb -0.15 -2.08 -0.04 0.00 0.01 0.00 0.00 42.46 40.20 1jop s ILE 81 CO 0.03 0.55 0.71 -1.61 0.00 0.00 0.00 174.94 174.62 1jop s GLU 82 N 0.01 4.44 0.01 2.79 2.02 0.19 0.34 118.70 128.49 1jop s GLU 82 Ca -0.06 0.92 0.02 0.00 0.02 0.00 0.00 54.97 55.86 1jop s GLU 82 Cb -0.15 -3.41 -0.01 0.00 0.10 0.00 0.00 34.13 30.66 1jop s GLU 82 CO 0.05 0.16 -0.05 0.08 0.02 0.00 0.00 175.26 175.52 1jop s VAL 83 N 0.44 0.39 0.02 2.63 1.01 0.04 0.25 120.40 125.18 1jop s VAL 83 Ca 0.37 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1jop s VAL 83 Cb -0.19 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1jop s VAL 83 CO 0.19 -0.02 -0.07 -0.83 0.00 0.00 0.00 175.10 174.37 1jop s GLY 84 N -0.47 0.39 0.00 4.51 0.00 -1.11 -0.93 107.32 109.72 1jop s GLY 84 Ca -0.01 -0.49 0.11 0.00 0.00 0.00 0.00 44.72 44.33 1jop s GLY 84 CO -0.00 -0.48 0.54 0.00 0.00 0.00 0.00 173.10 173.16 1jop n ALA 85 N 2.28 3.23 -2.30 3.20 0.00 -1.26 -4.08 120.51 121.57 1jop n ALA 85 Ca -0.17 -0.36 -0.29 0.00 0.00 0.00 0.00 53.44 52.61 1jop n ALA 85 Cb 0.56 -0.40 -0.03 0.00 0.00 0.00 0.00 19.45 19.59 1jop n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jop s THR 86 N -1.82 4.88 0.23 0.00 2.01 -1.26 -4.95 115.64 114.73 1jop s THR 86 Ca 0.06 0.39 -0.30 0.00 0.31 0.00 0.00 61.69 62.15 1jop s THR 86 Cb 0.09 -3.75 -0.09 0.00 0.01 0.00 0.00 72.50 68.75 1jop s THR 86 CO 0.39 -0.49 1.37 -0.47 -0.69 0.00 0.00 174.62 174.73 1jop s TYR 87 N -2.32 3.13 0.54 4.92 6.14 -1.26 -4.90 117.35 123.60 1jop s TYR 87 Ca 0.48 1.13 -0.21 0.00 0.64 0.00 0.00 57.07 59.11 1jop s TYR 87 Cb -0.10 -3.71 -0.05 0.00 0.42 0.00 0.00 41.96 38.51 1jop s TYR 87 CO 0.32 -2.27 1.30 -1.25 0.64 0.00 0.00 175.55 174.29 1jop s PRO 88 N -0.32 3.22 -0.98 4.97 0.04 -1.26 -4.93 135.00 135.75 1jop s PRO 88 Ca 0.58 2.09 -0.24 0.00 0.04 0.00 0.00 61.00 63.47 1jop s PRO 88 Cb -0.39 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1jop s PRO 88 CO 0.41 -1.08 1.89 1.21 0.04 0.00 0.00 177.00 179.48 1jop s ASN 89 N -1.12 5.29 0.64 6.66 3.84 -1.26 -4.84 114.94 124.13 1jop s ASN 89 Ca 0.71 -0.99 0.25 0.00 0.21 0.00 0.00 52.86 53.04 1jop s ASN 89 Cb -0.37 -2.57 1.28 0.00 -0.55 0.00 0.00 41.25 39.05 1jop s ASN 89 CO 0.43 -2.66 1.72 -0.07 -2.79 0.00 0.00 177.10 173.73 1jop h LEU 90 N 17.26 0.00 -1.32 3.21 3.38 -1.97 -1.55 115.31 134.31 1jop h LEU 90 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 1jop h LEU 90 Cb 0.99 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 1jop h LEU 90 CO 1.24 0.00 -0.04 0.77 0.09 0.00 0.00 178.44 180.50 1jop h SER 91 N 0.00 0.39 0.11 -0.43 4.64 -1.99 -0.43 113.55 115.83 1jop h SER 91 Ca 0.10 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1jop h SER 91 Cb 1.19 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1jop h SER 91 CO -0.00 0.48 -0.04 0.29 -0.87 0.00 0.00 176.83 176.69 1jop n LYS 92 N -4.29 1.14 -2.90 4.77 5.02 -0.58 -4.85 118.16 116.47 1jop n LYS 92 Ca 0.01 -0.43 -0.34 0.00 -2.02 0.00 0.00 58.31 55.53 1jop n LYS 92 Cb 0.24 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.69 1jop n LYS 92 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1jop s TYR 93 N -2.16 3.40 1.16 2.13 1.51 -0.17 -4.86 117.35 118.35 1jop s TYR 93 Ca 0.38 1.54 -0.18 0.00 -1.01 0.00 0.00 57.07 57.80 1jop s TYR 93 Cb 0.21 -2.78 0.27 0.00 -0.11 0.00 0.00 41.96 39.54 1jop s TYR 93 CO 0.39 0.00 1.11 -1.21 -1.11 0.00 0.00 175.55 174.74 1jop s GLU 94 N -2.91 -0.87 0.43 -0.62 2.02 -0.55 -5.00 118.70 111.20 1jop s GLU 94 Ca 0.58 0.04 -0.05 0.00 0.02 0.00 0.00 54.97 55.56 1jop s GLU 94 Cb -0.11 -1.63 -0.04 0.00 0.10 0.00 0.00 34.13 32.45 1jop s GLU 94 CO 0.16 -3.50 0.73 0.34 0.02 0.00 0.00 175.26 173.01 1jop s ASP 95 N -3.83 6.31 -0.04 -0.19 -1.08 -1.26 -4.51 116.67 112.08 1jop s ASP 95 Ca 0.70 0.86 -0.12 0.00 -0.52 0.00 0.00 52.55 53.46 1jop s ASP 95 Cb -0.11 -2.21 -0.05 0.00 -1.46 0.00 0.00 42.92 39.08 1jop s ASP 95 CO 0.56 -0.48 0.33 -0.47 0.52 0.00 0.00 175.17 175.63 1jop s TYR 96 N -2.57 3.69 -0.42 -5.34 5.04 -1.26 -4.73 117.35 111.75 1jop s TYR 96 Ca 0.46 0.85 -0.07 0.00 -2.44 0.00 0.00 57.07 55.87 1jop s TYR 96 Cb -0.10 -2.18 0.10 0.00 0.35 0.00 0.00 41.96 40.12 1jop s TYR 96 CO 0.41 0.67 0.26 1.21 -1.34 0.00 0.00 175.55 176.75 1jop s ASN 97 N -1.05 5.52 0.00 4.32 3.84 -1.07 -4.91 114.94 121.60 1jop s ASN 97 Ca 0.21 -1.73 0.17 0.00 0.21 0.00 0.00 52.86 51.72 1jop s ASN 97 Cb -0.15 -1.94 0.78 0.00 -0.55 0.00 0.00 41.25 39.39 1jop s ASN 97 CO 0.10 -0.57 1.55 -0.62 -2.79 0.00 0.00 177.10 174.78 1jop n GLU 98 N 4.82 0.06 -0.04 0.43 1.02 -1.26 -0.92 120.64 124.75 1jop n GLU 98 Ca -0.08 0.18 -0.10 0.00 -0.02 0.00 0.00 57.16 57.15 1jop n GLU 98 Cb 0.42 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.25 1jop n GLU 98 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jop h ALA 99 N 2.66 -0.04 -0.26 0.62 0.00 -1.96 -3.36 119.26 116.91 1jop h ALA 99 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1jop h ALA 99 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jop h ALA 99 CO 0.00 -0.07 0.00 -0.25 0.00 0.00 0.00 179.25 178.93 1jop n ASP 100 N -4.72 3.53 -3.38 0.00 9.92 -1.19 -5.02 116.55 115.69 1jop n ASP 100 Ca -0.07 -2.74 -0.13 0.00 -0.53 0.00 0.00 54.79 51.32 1jop n ASP 100 Cb 0.31 -0.45 0.01 0.00 -0.64 0.00 0.00 41.12 40.35 1jop n ASP 100 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1jop n ASP 101 N -0.30 -6.51 -3.66 -2.24 2.03 -0.10 -4.96 116.55 100.81 1jop n ASP 101 Ca 0.18 -0.52 -0.06 0.00 0.52 0.00 0.00 54.79 54.91 1jop n ASP 101 Cb 0.75 -4.00 -0.02 0.00 -0.72 0.00 0.00 41.12 37.14 1jop n ASP 101 CO 0.00 0.00 0.00 -0.72 -1.92 0.00 0.00 177.20 174.56 1jop s TYR 102 N -3.10 -0.24 -0.02 -0.67 -0.85 -1.19 -4.01 117.35 107.26 1jop s TYR 102 Ca 0.11 -0.02 -0.10 0.00 -0.52 0.00 0.00 57.07 56.54 1jop s TYR 102 Cb -0.03 0.61 0.01 0.00 0.38 0.00 0.00 41.96 42.93 1jop s TYR 102 CO 0.81 -0.79 0.22 -0.65 -1.52 0.00 0.00 175.55 173.61 1jop s GLN 103 N -3.36 0.52 0.08 -3.49 -0.21 -0.36 -2.61 119.66 110.25 1jop s GLN 103 Ca 0.09 -0.21 0.09 0.00 0.02 0.00 0.00 55.36 55.35 1jop s GLN 103 Cb -0.02 0.23 -0.03 0.00 1.00 0.00 0.00 33.01 34.19 1jop s GLN 103 CO -0.02 -0.13 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.28 1jop s LEU 104 N -1.13 2.25 -0.10 2.90 1.43 -1.26 -1.57 118.68 121.20 1jop s LEU 104 Ca -0.12 -0.64 -0.29 0.00 -1.03 0.00 0.00 54.13 52.05 1jop s LEU 104 Cb -0.06 -1.04 0.07 0.00 0.03 0.00 0.00 46.19 45.19 1jop s LEU 104 CO 0.02 0.14 0.67 0.00 0.23 0.00 0.00 176.35 177.42 1jop n ALA 106 N 1.34 2.53 -2.32 0.00 0.00 -1.26 -0.03 120.51 120.76 1jop n ALA 106 Ca -0.18 -0.15 -0.31 0.00 0.00 0.00 0.00 53.44 52.80 1jop n ALA 106 Cb 0.57 -1.43 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 1jop n ALA 106 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1jop s ASP 107 N -2.81 3.12 -0.13 0.00 2.15 -1.26 -4.70 116.67 113.03 1jop s ASP 107 Ca 0.20 -0.49 -0.06 0.00 0.43 0.00 0.00 52.55 52.62 1jop s ASP 107 Cb 0.19 -0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.43 1jop s ASP 107 CO 0.52 0.31 0.10 -0.63 -0.17 0.00 0.00 175.17 175.29 1jop s ILE 108 N -0.66 5.15 0.15 4.11 1.01 -1.26 -4.86 121.20 124.84 1jop s ILE 108 Ca 0.11 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.73 1jop s ILE 108 Cb -0.10 -3.25 -0.07 0.00 0.01 0.00 0.00 42.46 39.05 1jop s ILE 108 CO -0.00 0.58 0.49 -1.81 0.00 0.00 0.00 174.94 174.19 1jop s ASP 109 N -0.66 6.67 -1.59 3.58 1.01 -1.26 -3.97 116.67 120.46 1jop s ASP 109 Ca 0.12 0.89 -0.11 0.00 0.71 0.00 0.00 52.55 54.15 1jop s ASP 109 Cb -0.12 -2.21 0.10 0.00 1.01 0.00 0.00 42.92 41.70 1jop s ASP 109 CO 0.02 0.06 0.66 0.47 0.21 0.00 0.00 175.17 176.60 1jop n ASP 110 N 0.44 -2.34 -4.73 0.27 8.00 -1.26 -4.58 116.55 112.35 1jop n ASP 110 Ca -0.04 -0.99 -0.35 0.00 0.71 0.00 0.00 54.79 54.12 1jop n ASP 110 Cb 0.52 -2.94 0.08 0.00 -0.02 0.00 0.00 41.12 38.77 1jop n ASP 110 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1jop s LYS 111 N -6.79 2.29 0.00 -1.24 1.02 -1.25 -4.45 119.74 109.31 1jop s LYS 111 Ca 0.47 1.82 0.00 0.00 0.02 0.00 0.00 55.97 58.28 1jop s LYS 111 Cb -0.25 -1.84 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 1jop s LYS 111 CO 0.91 -1.74 0.00 1.97 -0.92 0.00 0.00 175.35 175.57 1jop n PHE 112 N -2.47 -0.02 -3.72 3.18 -1.74 -0.11 -4.99 117.46 107.59 1jop n PHE 112 Ca 0.14 0.00 -0.15 0.00 -0.56 0.00 0.00 57.45 56.88 1jop n PHE 112 Cb 0.50 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.34 1jop n PHE 112 CO 0.00 0.00 0.00 0.99 -0.56 0.00 0.00 176.76 177.19 1jop s THR 113 N -1.70 -0.11 -0.30 1.97 2.01 -1.26 -0.78 115.64 115.46 1jop s THR 113 Ca 0.00 0.26 -0.07 0.00 0.31 0.00 0.00 61.69 62.18 1jop s THR 113 Cb 0.00 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 72.30 1jop s THR 113 CO 0.00 0.11 0.10 -0.69 -0.69 0.00 0.00 174.62 173.44 1jop s VAL 114 N 1.54 4.10 -0.43 3.82 1.01 0.15 -4.92 120.40 125.67 1jop s VAL 114 Ca -0.05 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.00 1jop s VAL 114 Cb -0.12 -3.11 0.02 0.00 0.00 0.00 0.00 36.38 33.17 1jop s VAL 114 CO -0.05 0.07 1.15 -0.89 0.00 0.00 0.00 175.10 175.38 1jop s THR 115 N 1.52 4.25 -0.20 3.92 2.01 -1.26 -1.10 115.64 124.78 1jop s THR 115 Ca 0.03 1.32 -0.18 0.00 0.31 0.00 0.00 61.69 63.18 1jop s THR 115 Cb -0.17 -4.52 -0.03 0.00 0.01 0.00 0.00 72.50 67.78 1jop s THR 115 CO 0.03 -0.86 0.49 -0.04 -0.69 0.00 0.00 174.62 173.55 1jop s MET 116 N 4.30 4.19 0.33 4.92 -1.94 0.35 -4.94 119.30 126.50 1jop s MET 116 Ca 0.49 0.36 0.07 0.00 -1.71 0.00 0.00 55.69 54.90 1jop s MET 116 Cb -0.09 -3.55 -0.02 0.00 2.01 0.00 0.00 34.83 33.18 1jop s MET 116 CO 0.28 -0.11 0.38 0.15 -0.01 0.00 0.00 175.02 175.70 1jop s LYS 117 N 1.53 2.94 0.18 2.03 1.02 -1.26 -0.37 119.74 125.81 1jop s LYS 117 Ca 0.23 -1.14 -0.32 0.00 0.02 0.00 0.00 55.97 54.76 1jop s LYS 117 Cb -0.15 -2.65 -0.16 0.00 -0.52 0.00 0.00 37.83 34.35 1jop s LYS 117 CO 0.09 0.10 1.03 -2.30 -0.92 0.00 0.00 175.35 173.35 1jop n PRO 118 N -1.49 0.92 0.00 -1.68 -0.02 -1.26 -0.71 135.00 130.75 1jop n PRO 118 Ca -0.01 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1jop n PRO 118 Cb 0.59 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.35 1jop n PRO 118 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1jop n LYS 119 N 1.42 0.00 -1.63 -0.52 5.02 0.11 -4.93 118.16 117.62 1jop n LYS 119 Ca 0.15 0.00 -0.45 0.00 -2.02 0.00 0.00 58.31 55.99 1jop n LYS 119 Cb 0.25 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.24 1jop n LYS 119 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1jop n MET 120 N 0.00 1.68 -4.34 1.97 2.81 0.11 0.34 117.12 119.70 1jop n MET 120 Ca 0.00 0.59 -0.24 0.00 -1.81 0.00 0.00 57.70 56.25 1jop n MET 120 Cb 0.00 -2.10 -0.08 0.00 -0.71 0.00 0.00 33.22 30.33 1jop n MET 120 CO 0.00 0.00 0.00 -0.59 1.51 0.00 0.00 175.97 176.89 1jop s PHE 121 N -0.73 2.58 -0.08 2.03 -0.71 0.17 -2.89 117.98 118.36 1jop s PHE 121 Ca 0.62 -0.25 -0.00 0.00 -1.04 0.00 0.00 56.93 56.25 1jop s PHE 121 Cb -0.67 -1.15 0.03 0.00 -1.21 0.00 0.00 43.02 40.01 1jop s PHE 121 CO 0.57 0.64 -0.03 0.00 -1.34 0.00 0.00 175.22 175.05 1jop s ALA 122 N -2.32 0.90 -0.22 1.99 0.00 0.28 -2.58 121.76 119.81 1jop s ALA 122 Ca 0.30 -0.25 -0.14 0.00 0.00 0.00 0.00 51.96 51.88 1jop s ALA 122 Cb -0.06 -0.73 -0.04 0.00 0.00 0.00 0.00 23.12 22.29 1jop s ALA 122 CO 0.18 -0.34 0.30 0.08 0.00 0.00 0.00 175.76 175.98 1jop s VAL 123 N 1.64 5.26 -0.22 0.00 1.01 0.36 -0.09 120.40 128.37 1jop s VAL 123 Ca 0.01 0.47 0.00 0.00 0.00 0.00 0.00 61.98 62.47 1jop s VAL 123 Cb -0.13 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.68 1jop s VAL 123 CO -0.05 0.28 -0.06 -0.36 0.00 0.00 0.00 175.10 174.92 1jop s PHE 124 N 1.28 2.25 0.82 5.22 0.08 -0.55 -0.83 117.98 126.25 1jop s PHE 124 Ca 0.14 -1.61 -0.11 0.00 0.12 0.00 0.00 56.93 55.47 1jop s PHE 124 Cb -0.14 -1.53 0.09 0.00 -0.57 0.00 0.00 43.02 40.86 1jop s PHE 124 CO 0.07 -0.74 1.12 0.71 -0.10 0.00 0.00 175.22 176.27 1jop s TYR 125 N 1.45 2.19 -0.06 0.36 2.02 -1.26 -0.91 117.35 121.13 1jop s TYR 125 Ca -0.04 1.65 -0.35 0.00 -0.37 0.00 0.00 57.07 57.96 1jop s TYR 125 Cb -0.18 -3.18 -0.17 0.00 -0.40 0.00 0.00 41.96 38.02 1jop s TYR 125 CO -0.07 -2.22 0.98 -2.30 -1.57 0.00 0.00 175.55 170.37 1jop n PRO 126 N -3.72 0.00 -0.94 -1.71 -0.02 -1.26 -2.00 135.00 125.34 1jop n PRO 126 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 1jop n PRO 126 Cb 0.52 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.72 1jop n PRO 126 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1jop n TYR 127 N 1.57 0.00 -2.98 6.00 4.01 -1.10 -4.91 117.16 119.74 1jop n TYR 127 Ca 0.18 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.48 1jop n TYR 127 Cb 0.05 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.05 1jop n TYR 127 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 1jop s GLU 128 N -0.06 3.26 0.38 -0.72 2.02 -0.85 -4.21 118.70 118.53 1jop s GLU 128 Ca 0.00 -1.34 -0.26 0.00 0.02 0.00 0.00 54.97 53.39 1jop s GLU 128 Cb 0.00 -4.45 -0.09 0.00 0.10 0.00 0.00 34.13 29.69 1jop s GLU 128 CO 0.00 -1.69 1.24 -1.25 0.02 0.00 0.00 175.26 173.58 1jop s PRO 129 N 3.03 4.10 -0.01 0.39 0.04 -1.25 -4.75 135.00 136.55 1jop s PRO 129 Ca 0.22 2.03 -0.00 0.00 0.04 0.00 0.00 61.00 63.29 1jop s PRO 129 Cb -0.15 -2.81 0.02 0.00 0.04 0.00 0.00 34.50 31.59 1jop s PRO 129 CO 0.02 -0.34 0.02 -3.38 0.04 0.00 0.00 177.00 173.36 1jop s HIS 130 N -1.29 0.01 -0.59 0.56 -3.43 -0.33 -2.74 115.29 107.49 1jop s HIS 130 Ca 0.55 0.07 0.04 0.00 -0.80 0.00 0.00 55.06 54.92 1jop s HIS 130 Cb -0.35 -0.12 0.15 0.00 -1.43 0.00 0.00 32.58 30.82 1jop s HIS 130 CO 0.45 -0.05 0.35 0.21 -2.00 0.00 0.00 174.74 173.71 1jop s LYS 131 N 0.55 2.14 -0.16 -0.38 2.20 0.69 -2.13 119.74 122.66 1jop s LYS 131 Ca -0.05 -2.89 -0.16 0.00 -0.36 0.00 0.00 55.97 52.52 1jop s LYS 131 Cb -0.07 -3.30 -0.18 0.00 -1.51 0.00 0.00 37.83 32.77 1jop s LYS 131 CO -0.02 -1.19 1.21 -2.30 -0.36 0.00 0.00 175.35 172.70 1jop n PRO 132 N 2.66 0.01 -1.19 4.03 -0.02 -1.26 0.52 135.00 139.76 1jop n PRO 132 Ca 0.11 -0.62 -0.27 0.00 -2.02 0.00 0.00 63.50 60.70 1jop n PRO 132 Cb 0.33 -2.00 0.21 0.00 -0.02 0.00 0.00 33.50 32.03 1jop n PRO 132 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jop n VAL 135 N 4.02 0.00 0.00 0.00 0.31 -1.26 -5.07 118.33 116.33 1jop n VAL 135 Ca -0.21 -0.24 0.00 0.00 -0.01 0.00 0.00 64.34 63.87 1jop n VAL 135 Cb 0.56 0.26 0.00 0.00 -0.91 0.00 0.00 33.84 33.75 1jop n VAL 135 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1jop n ILE 143 N -1.87 0.00 -4.61 2.52 5.41 -1.25 -5.00 119.36 114.56 1jop n ILE 143 Ca -0.02 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.50 1jop n ILE 143 Cb 0.28 0.00 -0.16 0.00 -0.71 0.00 0.00 39.64 39.05 1jop n ILE 143 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1jop s LYS 144 N -0.97 1.44 0.13 0.38 2.20 0.15 -3.96 119.74 119.10 1jop s LYS 144 Ca 0.00 -0.45 -0.12 0.00 -0.36 0.00 0.00 55.97 55.04 1jop s LYS 144 Cb 0.00 -1.26 0.01 0.00 -1.51 0.00 0.00 37.83 35.07 1jop s LYS 144 CO 0.00 0.15 0.31 -1.59 -0.36 0.00 0.00 175.35 173.86 1jop s LYS 145 N 0.22 1.04 0.24 4.03 -2.85 -0.91 0.14 119.74 121.65 1jop s LYS 145 Ca -0.06 -0.93 0.01 0.00 -1.00 0.00 0.00 55.97 54.00 1jop s LYS 145 Cb -0.11 0.41 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1jop s LYS 145 CO 0.02 -0.38 0.08 -0.48 0.10 0.00 0.00 175.35 174.69 1jop s LEU 146 N -2.87 1.68 -0.21 2.77 -0.00 0.76 -1.60 118.68 119.21 1jop s LEU 146 Ca 0.08 -1.35 -0.04 0.00 -0.00 0.00 0.00 54.13 52.82 1jop s LEU 146 Cb 0.03 0.04 0.08 0.00 -0.00 0.00 0.00 46.19 46.34 1jop s LEU 146 CO -0.08 -0.71 0.13 -0.69 -0.00 0.00 0.00 176.35 175.00 1jop s VAL 147 N -3.77 -0.14 0.40 1.48 1.01 -0.19 -0.68 120.40 118.52 1jop s VAL 147 Ca 0.35 -0.31 -0.23 0.00 0.00 0.00 0.00 61.98 61.79 1jop s VAL 147 Cb 0.07 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.65 1jop s VAL 147 CO 0.12 -0.38 0.98 -0.69 0.00 0.00 0.00 175.10 175.13 1jop s VAL 148 N 2.17 4.11 -0.21 2.92 1.01 0.10 -0.76 120.40 129.75 1jop s VAL 148 Ca 0.05 1.48 -0.01 0.00 0.00 0.00 0.00 61.98 63.50 1jop s VAL 148 Cb -0.16 -3.70 0.01 0.00 0.00 0.00 0.00 36.38 32.54 1jop s VAL 148 CO -0.17 -0.12 -0.10 -0.54 0.00 0.00 0.00 175.10 174.16 1jop s LYS 149 N -2.76 3.07 -0.08 2.72 -0.14 0.22 -0.29 119.74 122.48 1jop s LYS 149 Ca 0.59 -0.81 0.02 0.00 -1.36 0.00 0.00 55.97 54.41 1jop s LYS 149 Cb -0.15 -2.85 0.01 0.00 -1.68 0.00 0.00 37.83 33.17 1jop s LYS 149 CO 0.20 -0.27 -0.13 0.08 -0.76 0.00 0.00 175.35 174.47 1jop s VAL 150 N 1.36 1.24 0.22 3.17 1.01 -0.98 -2.56 120.40 123.86 1jop s VAL 150 Ca 0.04 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.20 1jop s VAL 150 Cb -0.15 -1.14 -0.10 0.00 0.00 0.00 0.00 36.38 35.00 1jop s VAL 150 CO -0.07 0.38 1.46 -2.84 0.00 0.00 0.00 175.10 174.03 1jop s PRO 151 N 0.81 4.26 0.43 2.72 0.02 -1.26 0.41 135.00 142.40 1jop s PRO 151 Ca -0.11 2.29 0.16 0.00 0.02 0.00 0.00 61.00 63.36 1jop s PRO 151 Cb -0.15 -3.13 1.06 0.00 0.02 0.00 0.00 34.50 32.30 1jop s PRO 151 CO 0.02 -0.46 1.94 0.28 -0.33 0.00 0.00 177.00 178.45 1jop h VAL 152 N 3.68 0.82 -0.59 3.83 2.07 -1.45 0.58 116.25 125.19 1jop h VAL 152 Ca -0.45 -0.13 0.18 0.00 0.82 0.00 0.00 66.70 67.11 1jop h VAL 152 Cb 1.21 0.39 -0.11 0.00 -1.52 0.00 0.00 31.29 31.26 1jop h VAL 152 CO 0.81 0.07 0.06 0.29 0.02 0.00 0.00 177.57 178.83 1jop n LYS 153 N -4.47 -0.04 0.00 1.57 4.76 -1.26 0.08 118.16 118.79 1jop n LYS 153 Ca 0.13 0.87 0.05 0.00 -2.87 0.00 0.00 58.31 56.49 1jop n LYS 153 Cb 0.50 -1.41 0.31 0.00 -1.84 0.00 0.00 35.03 32.58 1jop n LYS 153 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1jop n LEU 154 N -4.67 0.00 -0.85 -0.35 4.77 0.19 -5.23 117.00 110.87 1jop n LEU 154 Ca 0.15 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.24 1jop n LEU 154 Cb 0.50 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.68 1jop n LEU 154 CO -0.04 0.00 0.59 -0.38 -1.33 0.00 0.00 177.39 176.23