#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jup h LEU 3 N 0.00 0.00 0.01 -4.53 5.85 -2.00 1.38 115.31 116.02 1jup h LEU 3 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1jup h LEU 3 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 1jup h LEU 3 CO 0.00 0.00 -0.00 0.50 -0.34 0.00 0.00 178.44 178.60 1jup h LYS 4 N 0.00 -0.01 -0.56 1.25 3.64 -2.01 -1.80 116.57 117.08 1jup h LYS 4 Ca 0.01 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.30 1jup h LYS 4 Cb 0.44 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1jup h LYS 4 CO -0.00 0.21 -0.02 -0.44 -2.27 0.00 0.00 179.45 176.92 1jup h ASP 5 N -0.22 0.95 0.16 4.20 3.45 0.12 -2.52 116.42 122.56 1jup h ASP 5 Ca -0.00 -0.27 0.01 0.00 0.43 0.00 0.00 57.03 57.20 1jup h ASP 5 Cb 0.22 -0.26 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 1jup h ASP 5 CO 0.00 1.02 -0.19 0.11 -1.57 0.00 0.00 179.24 178.61 1jup h LYS 6 N 0.89 -0.38 -0.44 3.56 1.57 -0.25 0.12 116.57 121.65 1jup h LYS 6 Ca 0.16 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1jup h LYS 6 Cb 0.55 0.09 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 1jup h LYS 6 CO 0.03 -0.26 0.17 0.82 -0.57 0.00 0.00 179.45 179.64 1jup h ILE 7 N -0.40 0.88 -0.52 1.86 2.04 -1.26 -2.08 117.51 118.03 1jup h ILE 7 Ca 0.01 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.71 1jup h ILE 7 Cb 0.39 0.51 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1jup h ILE 7 CO -0.07 0.06 0.16 -0.07 0.00 0.00 0.00 178.15 178.24 1jup h LEU 8 N 0.34 0.75 -0.92 1.44 3.38 -1.27 0.88 115.31 119.93 1jup h LEU 8 Ca 0.20 -0.21 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1jup h LEU 8 Cb 0.18 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1jup h LEU 8 CO -0.19 0.76 0.58 1.23 0.09 0.00 0.00 178.44 180.90 1jup h GLY 9 N 0.71 1.40 0.12 0.83 0.00 -0.28 -0.83 103.07 105.02 1jup h GLY 9 Ca 0.17 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.08 1jup h GLY 9 CO -0.00 0.27 -0.00 -2.08 0.00 0.00 0.00 176.54 174.72 1jup h VAL 10 N 1.03 1.69 -0.67 4.60 2.07 -1.25 -2.87 116.25 120.85 1jup h VAL 10 Ca 0.41 -2.05 0.13 0.00 0.82 0.00 0.00 66.70 66.00 1jup h VAL 10 Cb 0.21 3.08 -0.13 0.00 -1.52 0.00 0.00 31.29 32.94 1jup h VAL 10 CO -0.19 0.53 -0.24 0.00 0.02 0.00 0.00 177.57 177.69 1jup h ALA 11 N 0.11 0.27 0.29 1.67 0.00 -0.59 0.23 119.26 121.25 1jup h ALA 11 Ca -0.00 0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jup h ALA 11 Cb 0.87 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1jup h ALA 11 CO 0.00 -0.52 -0.44 -0.22 0.00 0.00 0.00 179.25 178.07 1jup h LYS 12 N -0.06 -0.76 0.12 0.00 3.64 -1.22 0.36 116.57 118.64 1jup h LYS 12 Ca 0.30 0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.74 1jup h LYS 12 Cb 0.53 0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 1jup h LYS 12 CO -0.72 -0.51 -0.14 0.93 -2.27 0.00 0.00 179.45 176.75 1jup h GLU 13 N -0.79 -0.28 -0.61 1.90 4.39 -1.14 -0.39 114.58 117.66 1jup h GLU 13 Ca -0.02 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.83 1jup h GLU 13 Cb 0.75 0.06 -0.11 0.00 -0.10 0.00 0.00 28.75 29.35 1jup h GLU 13 CO -0.15 -0.19 -0.07 -0.07 -1.16 0.00 0.00 179.01 177.37 1jup h LEU 14 N -0.29 -0.41 -0.78 1.33 3.38 -0.29 0.74 115.31 118.99 1jup h LEU 14 Ca 0.01 0.17 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1jup h LEU 14 Cb 0.29 0.32 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1jup h LEU 14 CO -0.05 -0.16 0.47 -0.26 0.09 0.00 0.00 178.44 178.54 1jup h PHE 15 N 0.06 1.02 -0.88 1.13 0.05 0.36 0.56 116.94 119.23 1jup h PHE 15 Ca 0.31 -0.00 -0.01 0.00 3.82 0.00 0.00 57.97 62.08 1jup h PHE 15 Cb 0.49 -0.34 -0.04 0.00 2.00 0.00 0.00 35.95 38.07 1jup h PHE 15 CO -0.42 0.68 0.49 0.82 -0.18 0.00 0.00 178.31 179.70 1jup h ILE 16 N 1.06 1.25 0.00 -0.55 2.04 0.75 -0.54 117.51 121.52 1jup h ILE 16 Ca 0.28 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1jup h ILE 16 Cb -0.05 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.09 1jup h ILE 16 CO -0.05 0.28 0.00 1.17 0.00 0.00 0.00 178.15 179.55 1jup n LYS 17 N -4.36 0.00 0.00 2.37 4.81 -0.03 -4.33 118.16 116.63 1jup n LYS 17 Ca 0.09 0.45 0.13 0.00 -0.87 0.00 0.00 58.31 58.11 1jup n LYS 17 Cb 0.09 -1.17 0.74 0.00 0.02 0.00 0.00 35.03 34.70 1jup n LYS 17 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1jup n ASN 18 N -1.85 0.00 0.00 3.14 5.03 0.14 -5.04 115.26 116.69 1jup n ASN 18 Ca 0.00 -0.53 0.00 0.00 0.87 0.00 0.00 54.58 54.92 1jup n ASN 18 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 39.78 38.65 1jup n ASN 18 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1jup n GLY 19 N 0.76 -1.61 0.08 7.41 0.00 -0.21 -4.02 105.19 107.59 1jup n GLY 19 Ca 0.17 -1.46 -0.09 0.00 0.00 0.00 0.00 46.02 44.65 1jup n GLY 19 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1jup n TYR 20 N 0.00 0.84 -0.03 1.61 9.36 -1.26 -4.22 117.16 123.46 1jup n TYR 20 Ca 0.00 0.36 -0.09 0.00 3.32 0.00 0.00 57.90 61.49 1jup n TYR 20 Cb 0.00 -0.81 -0.03 0.00 -0.63 0.00 0.00 39.34 37.87 1jup n TYR 20 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1jup h ASN 21 N -1.00 -0.08 -0.66 2.98 4.21 -1.94 -3.01 115.58 116.08 1jup h ASN 21 Ca -0.08 0.04 0.10 0.00 1.21 0.00 0.00 56.30 57.57 1jup h ASN 21 Cb 0.72 0.07 -0.08 0.00 -1.12 0.00 0.00 38.32 37.91 1jup h ASN 21 CO -0.05 -0.02 0.26 0.00 -1.29 0.00 0.00 177.43 176.34 1jup h ALA 22 N 1.14 0.87 -1.75 -0.83 0.00 -1.82 -3.40 119.26 113.48 1jup h ALA 22 Ca 0.08 0.08 -0.57 0.00 0.00 0.00 0.00 54.91 54.50 1jup h ALA 22 Cb 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1jup h ALA 22 CO -0.14 -0.17 1.52 2.41 0.00 0.00 0.00 179.25 182.88 1jup n THR 23 N -4.97 0.23 -2.81 0.00 -1.04 -1.14 -4.95 114.28 99.60 1jup n THR 23 Ca 0.10 -0.50 -0.31 0.00 -2.04 0.00 0.00 64.05 61.31 1jup n THR 23 Cb 0.30 -2.46 -0.03 0.00 -1.82 0.00 0.00 70.33 66.32 1jup n THR 23 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1jup s THR 24 N 9.01 4.75 0.37 12.58 -4.23 -1.26 -4.97 115.64 131.88 1jup s THR 24 Ca 1.02 0.71 0.05 0.00 -1.18 0.00 0.00 61.69 62.29 1jup s THR 24 Cb -0.39 -3.72 0.24 0.00 1.34 0.00 0.00 72.50 69.96 1jup s THR 24 CO 0.35 -0.53 2.00 0.00 -0.54 0.00 0.00 174.62 175.90 1jup h THR 25 N 1.11 1.15 0.01 3.99 1.03 -1.96 -2.97 112.91 115.28 1jup h THR 25 Ca -0.47 -0.37 -0.04 0.00 -0.01 0.00 0.00 66.41 65.52 1jup h THR 25 Cb 1.19 0.51 0.00 0.00 -1.07 0.00 0.00 68.15 68.78 1jup h THR 25 CO 0.64 0.16 -0.17 1.23 -0.01 0.00 0.00 175.52 177.36 1jup h GLY 26 N 0.73 0.11 -0.04 2.99 0.00 -1.99 -3.09 103.07 101.77 1jup h GLY 26 Ca 0.17 -0.21 0.29 0.00 0.00 0.00 0.00 47.33 47.58 1jup h GLY 26 CO -0.03 0.19 0.73 -2.09 0.00 0.00 0.00 176.54 175.34 1jup h GLU 27 N -0.69 0.05 0.02 4.80 4.81 -1.95 0.49 114.58 122.11 1jup h GLU 27 Ca -0.03 -0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1jup h GLU 27 Cb 1.01 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.38 1jup h GLU 27 CO 0.03 0.03 -0.01 0.82 -0.73 0.00 0.00 179.01 179.16 1jup h ILE 28 N 0.05 1.25 0.00 2.32 2.04 -1.52 -2.58 117.51 119.07 1jup h ILE 28 Ca 0.50 -0.84 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1jup h ILE 28 Cb 1.88 1.81 -0.01 0.00 -0.74 0.00 0.00 36.82 39.77 1jup h ILE 28 CO -0.04 0.22 -0.19 -0.37 0.00 0.00 0.00 178.15 177.76 1jup h VAL 29 N -0.40 0.70 -0.09 1.67 -1.51 -0.13 -2.90 116.25 113.59 1jup h VAL 29 Ca -0.00 -0.82 -0.20 0.00 -1.23 0.00 0.00 66.70 64.44 1jup h VAL 29 Cb 0.38 1.51 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1jup h VAL 29 CO 0.01 0.19 -0.78 0.50 -1.23 0.00 0.00 177.57 176.25 1jup h LYS 30 N 0.00 0.54 0.00 5.19 1.63 -0.47 -1.19 116.57 122.27 1jup h LYS 30 Ca -0.00 -0.46 0.00 0.00 -0.85 0.00 0.00 60.65 59.33 1jup h LYS 30 Cb 0.50 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 1jup h LYS 30 CO 0.03 1.09 -0.02 1.28 -3.45 0.00 0.00 179.45 178.37 1jup n LEU 31 N -3.86 0.74 -0.38 5.20 4.77 -0.98 -3.17 117.00 119.32 1jup n LEU 31 Ca -0.06 0.56 0.09 0.00 -0.03 0.00 0.00 56.01 56.57 1jup n LEU 31 Cb 0.74 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 1jup n LEU 31 CO 0.50 -0.16 0.25 -1.54 -1.33 0.00 0.00 177.39 175.11 1jup n SER 32 N -2.19 1.72 -3.27 -1.43 3.41 -1.12 -4.98 113.62 105.75 1jup n SER 32 Ca 0.06 -1.36 -0.15 0.00 -0.26 0.00 0.00 58.87 57.15 1jup n SER 32 Cb 0.42 0.53 0.07 0.00 -0.26 0.00 0.00 64.21 64.98 1jup n SER 32 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jup n GLU 33 N -0.22 -2.79 -4.26 4.33 1.02 -0.85 -4.93 120.64 112.94 1jup n GLU 33 Ca 0.07 0.87 -0.16 0.00 -0.02 0.00 0.00 57.16 57.92 1jup n GLU 33 Cb 0.39 -5.84 -0.09 0.00 -0.02 0.00 0.00 31.44 25.88 1jup n GLU 33 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1jup s SER 34 N -3.51 1.06 0.15 1.62 0.15 -0.51 -5.06 113.70 107.60 1jup s SER 34 Ca 0.40 -1.59 0.02 0.00 0.70 0.00 0.00 55.95 55.48 1jup s SER 34 Cb -0.05 0.47 -0.04 0.00 -1.71 0.00 0.00 66.02 64.69 1jup s SER 34 CO 0.74 -0.96 0.29 -0.94 1.20 0.00 0.00 173.24 173.57 1jup s SER 35 N -3.29 6.35 0.50 5.45 1.04 -1.26 -4.51 113.70 117.99 1jup s SER 35 Ca 0.40 0.22 0.24 0.00 0.48 0.00 0.00 55.95 57.29 1jup s SER 35 Cb 0.04 -1.93 1.34 0.00 0.10 0.00 0.00 66.02 65.57 1jup s SER 35 CO 0.20 0.05 2.05 0.50 0.98 0.00 0.00 173.24 177.02 1jup h LYS 36 N 2.21 0.00 -0.04 4.02 3.64 -1.94 -1.83 116.57 122.63 1jup h LYS 36 Ca -0.48 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 58.89 1jup h LYS 36 Cb 1.19 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1jup h LYS 36 CO 0.69 0.14 -0.00 0.78 -2.27 0.00 0.00 179.45 178.79 1jup h GLY 37 N 0.82 0.07 0.47 5.01 0.00 -2.00 -2.65 103.07 104.80 1jup h GLY 37 Ca -0.00 -0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.35 1jup h GLY 37 CO 0.02 0.05 0.18 -0.57 0.00 0.00 0.00 176.54 176.22 1jup h ASN 38 N -0.25 0.17 0.54 0.19 -1.24 -1.76 -1.25 115.58 111.98 1jup h ASN 38 Ca 0.01 0.07 -0.02 0.00 0.71 0.00 0.00 56.30 57.07 1jup h ASN 38 Cb 0.35 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 1jup h ASN 38 CO 0.00 0.12 -0.38 0.25 -1.29 0.00 0.00 177.43 176.13 1jup h LEU 39 N 0.35 -0.99 -1.86 0.34 5.85 -1.33 -2.50 115.31 115.17 1jup h LEU 39 Ca 0.26 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1jup h LEU 39 Cb 0.29 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 41.63 1jup h LEU 39 CO -0.27 -0.58 -0.05 1.88 -0.34 0.00 0.00 178.44 179.09 1jup h TYR 40 N -0.90 0.02 -0.05 1.25 0.05 -1.29 -0.08 116.97 115.97 1jup h TYR 40 Ca -0.06 -0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.60 1jup h TYR 40 Cb 0.75 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 1jup h TYR 40 CO -0.14 0.08 -0.53 -0.92 -1.05 0.00 0.00 178.16 175.60 1jup h TYR 41 N 0.02 0.17 0.06 4.88 3.20 -1.03 -3.23 116.97 121.04 1jup h TYR 41 Ca 0.01 -0.06 -0.36 0.00 3.14 0.00 0.00 58.73 61.46 1jup h TYR 41 Cb 0.10 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.30 1jup h TYR 41 CO 0.00 0.63 -2.16 0.72 -1.64 0.00 0.00 178.16 175.72 1jup n HIS 42 N -3.92 0.70 -3.92 -3.82 8.25 -0.91 -4.73 115.22 106.86 1jup n HIS 42 Ca -0.02 0.17 -0.30 0.00 -0.26 0.00 0.00 57.72 57.31 1jup n HIS 42 Cb 0.55 -1.10 -0.14 0.00 1.12 0.00 0.00 29.99 30.42 1jup n HIS 42 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1jup s PHE 43 N -2.54 3.09 0.00 4.41 0.40 -0.09 -5.02 117.98 118.23 1jup s PHE 43 Ca -0.23 -2.91 0.00 0.00 -0.60 0.00 0.00 56.93 53.19 1jup s PHE 43 Cb 0.07 -2.64 0.00 0.00 0.51 0.00 0.00 43.02 40.97 1jup s PHE 43 CO 0.73 -0.83 0.00 1.17 0.70 0.00 0.00 175.22 176.99 1jup n LYS 44 N 3.67 0.00 -4.10 0.44 4.81 -1.22 -4.42 118.16 117.35 1jup n LYS 44 Ca 0.05 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.38 1jup n LYS 44 Cb 0.36 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.33 1jup n LYS 44 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1jup s THR 45 N -3.88 0.02 0.09 3.15 -4.23 -1.26 -4.83 115.64 104.69 1jup s THR 45 Ca 0.00 -1.73 -0.27 0.00 -1.18 0.00 0.00 61.69 58.52 1jup s THR 45 Cb 0.00 -2.27 -0.15 0.00 1.34 0.00 0.00 72.50 71.41 1jup s THR 45 CO 0.00 -0.09 1.69 0.50 -0.54 0.00 0.00 174.62 176.19 1jup h LYS 46 N 2.52 -0.34 -0.94 3.99 3.64 -1.99 -0.88 116.57 122.57 1jup h LYS 46 Ca -0.32 0.02 0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1jup h LYS 46 Cb 1.24 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 33.03 1jup h LYS 46 CO 0.48 -0.23 0.53 0.93 -2.27 0.00 0.00 179.45 178.88 1jup h GLU 47 N -0.35 0.64 -0.52 1.90 3.07 -1.98 0.47 114.58 117.81 1jup h GLU 47 Ca -0.03 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.75 1jup h GLU 47 Cb 0.29 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 28.03 1jup h GLU 47 CO 0.04 0.42 0.17 -0.97 -1.40 0.00 0.00 179.01 177.26 1jup h ASN 48 N 0.66 0.75 0.51 1.42 -1.24 -1.77 0.50 115.58 116.40 1jup h ASN 48 Ca 0.55 -0.20 -0.02 0.00 0.71 0.00 0.00 56.30 57.33 1jup h ASN 48 Cb 0.87 -0.20 -0.00 0.00 0.73 0.00 0.00 38.32 39.73 1jup h ASN 48 CO -0.40 0.75 -0.30 0.25 -1.29 0.00 0.00 177.43 176.44 1jup h LEU 49 N 0.70 -0.75 -0.44 0.34 5.85 0.88 -2.23 115.31 119.67 1jup h LEU 49 Ca 0.17 0.04 0.09 0.00 0.84 0.00 0.00 57.88 59.01 1jup h LEU 49 Cb 0.27 0.21 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 1jup h LEU 49 CO -0.01 -0.47 -0.32 0.15 -0.34 0.00 0.00 178.44 177.46 1jup h PHE 50 N -0.76 -0.87 -0.91 1.25 3.04 -0.13 -1.00 116.94 117.56 1jup h PHE 50 Ca -0.07 0.06 0.25 0.00 3.98 0.00 0.00 57.97 62.19 1jup h PHE 50 Cb 0.60 0.45 -0.14 0.00 2.56 0.00 0.00 35.95 39.42 1jup h PHE 50 CO -0.00 -0.37 0.35 1.25 -2.02 0.00 0.00 178.31 177.51 1jup h LEU 51 N -0.22 0.19 -0.76 0.59 5.85 0.11 -0.42 115.31 120.64 1jup h LEU 51 Ca 0.19 0.19 -0.13 0.00 0.84 0.00 0.00 57.88 58.96 1jup h LEU 51 Cb 0.53 0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 1jup h LEU 51 CO -0.56 -0.12 -0.60 -0.08 -0.34 0.00 0.00 178.44 176.74 1jup h GLU 52 N 0.27 0.07 -0.39 1.25 4.81 -0.56 -1.10 114.58 118.93 1jup h GLU 52 Ca 0.60 -0.05 -0.13 0.00 -0.13 0.00 0.00 59.36 59.65 1jup h GLU 52 Cb 1.24 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1jup h GLU 52 CO -0.62 0.65 -0.26 0.82 -0.73 0.00 0.00 179.01 178.87 1jup h ILE 53 N 0.05 1.28 -0.32 2.32 2.04 -0.71 -2.24 117.51 119.93 1jup h ILE 53 Ca -0.01 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1jup h ILE 53 Cb 1.07 1.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.46 1jup h ILE 53 CO 0.08 0.47 0.21 0.25 0.00 0.00 0.00 178.15 179.17 1jup h LEU 54 N 0.68 0.37 -0.35 1.44 5.85 -0.75 -1.22 115.31 121.33 1jup h LEU 54 Ca 0.08 -0.01 -0.19 0.00 0.84 0.00 0.00 57.88 58.60 1jup h LEU 54 Cb 0.83 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1jup h LEU 54 CO 0.07 0.27 -0.82 -1.13 -0.34 0.00 0.00 178.44 176.49 1jup h ASN 55 N 0.44 0.26 0.09 1.25 -1.24 -0.85 -2.02 115.58 113.50 1jup h ASN 55 Ca 0.12 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 56.92 1jup h ASN 55 Cb -0.04 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 38.93 1jup h ASN 55 CO -0.02 0.97 -0.04 0.40 -1.29 0.00 0.00 177.43 177.45 1jup h ILE 56 N 0.13 0.94 -0.69 2.57 1.08 -0.77 -2.24 117.51 118.54 1jup h ILE 56 Ca -0.04 -1.41 0.15 0.00 -0.39 0.00 0.00 64.86 63.17 1jup h ILE 56 Cb 1.43 1.68 -0.12 0.00 -3.07 0.00 0.00 36.82 36.73 1jup h ILE 56 CO 0.13 0.28 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.47 1jup h GLU 57 N -0.91 0.06 0.00 2.37 4.39 -1.33 0.34 114.58 119.49 1jup h GLU 57 Ca -0.01 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1jup h GLU 57 Cb 0.55 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 1jup h GLU 57 CO 0.02 0.04 0.00 -1.91 -1.16 0.00 0.00 179.01 176.00 1jup n GLU 58 N -5.38 0.00 -0.20 2.33 4.07 -0.76 -1.43 120.64 119.27 1jup n GLU 58 Ca 0.10 0.75 -0.07 0.00 -0.06 0.00 0.00 57.16 57.89 1jup n GLU 58 Cb 0.39 -1.46 -0.02 0.00 -0.06 0.00 0.00 31.44 30.30 1jup n GLU 58 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1jup h SER 59 N 0.00 -1.34 -0.92 4.31 0.87 -0.48 -1.38 113.55 114.61 1jup h SER 59 Ca 0.00 0.24 0.17 0.00 -1.23 0.00 0.00 61.79 60.97 1jup h SER 59 Cb 0.00 0.63 -0.10 0.00 -0.44 0.00 0.00 62.40 62.49 1jup h SER 59 CO 0.00 -0.32 0.51 0.11 -0.53 0.00 0.00 176.83 176.59 1jup h LYS 60 N -0.20 0.64 -0.53 2.24 1.79 -0.21 0.71 116.57 121.00 1jup h LYS 60 Ca 0.20 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.60 1jup h LYS 60 Cb 0.56 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.04 1jup h LYS 60 CO -0.68 0.42 0.20 2.35 -1.08 0.00 0.00 179.45 180.66 1jup h TRP 61 N 0.66 0.78 0.69 -1.35 -0.00 -0.14 0.10 115.95 116.69 1jup h TRP 61 Ca 0.52 -0.04 -0.03 0.00 -0.00 0.00 0.00 58.89 59.34 1jup h TRP 61 Cb 0.80 -0.24 0.01 0.00 -0.00 0.00 0.00 29.16 29.73 1jup h TRP 61 CO -0.06 0.61 -0.33 1.96 -0.00 0.00 0.00 178.44 180.62 1jup h GLN 62 N 0.76 -0.89 -0.86 2.65 1.08 -0.44 -2.15 115.11 115.27 1jup h GLN 62 Ca 0.18 0.06 0.17 0.00 -1.45 0.00 0.00 58.65 57.61 1jup h GLN 62 Cb 0.17 0.20 -0.16 0.00 -0.05 0.00 0.00 27.48 27.64 1jup h GLN 62 CO -0.01 -0.59 -0.22 -1.91 -0.95 0.00 0.00 178.83 175.14 1jup n GLU 63 N -4.79 -0.08 -0.19 1.46 4.07 -0.07 -0.35 120.64 120.68 1jup n GLU 63 Ca -0.11 1.33 -0.09 0.00 -0.06 0.00 0.00 57.16 58.23 1jup n GLU 63 Cb 0.36 -1.99 0.02 0.00 -0.06 0.00 0.00 31.44 29.77 1jup n GLU 63 CO 0.00 0.00 0.00 0.37 -0.06 0.00 0.00 177.13 177.44 1jup h GLN 64 N 0.00 0.89 -0.44 5.31 4.15 -0.90 -2.98 115.11 121.15 1jup h GLN 64 Ca 0.41 -0.23 -0.14 0.00 0.77 0.00 0.00 58.65 59.45 1jup h GLN 64 Cb 0.62 -0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 1jup h GLN 64 CO -0.88 0.85 -0.29 2.35 -1.93 0.00 0.00 178.83 178.94 1jup h TRP 65 N 0.79 1.13 0.00 3.99 -0.00 -0.01 -2.15 115.95 119.70 1jup h TRP 65 Ca 0.17 -0.30 0.00 0.00 -0.00 0.00 0.00 58.89 58.76 1jup h TRP 65 Cb 0.38 -0.25 0.00 0.00 -0.00 0.00 0.00 29.16 29.28 1jup h TRP 65 CO 0.03 1.13 0.00 1.17 -0.00 0.00 0.00 178.44 180.77 1jup n LYS 66 N -4.10 0.06 0.00 2.65 4.81 0.17 -0.86 118.16 120.89 1jup n LYS 66 Ca -0.01 0.40 0.05 0.00 -0.87 0.00 0.00 58.31 57.88 1jup n LYS 66 Cb 0.49 -1.64 -0.01 0.00 0.02 0.00 0.00 35.03 33.89 1jup n LYS 66 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1jup n LYS 67 N -1.76 2.60 -0.00 1.64 5.02 -1.07 -4.61 118.16 119.99 1jup n LYS 67 Ca 0.02 -0.44 0.05 0.00 -2.02 0.00 0.00 58.31 55.92 1jup n LYS 67 Cb 0.12 -1.03 -0.07 0.00 -0.02 0.00 0.00 35.03 34.03 1jup n LYS 67 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1jup n GLU 68 N -0.51 1.76 0.04 1.97 4.07 -0.04 -4.46 120.64 123.46 1jup n GLU 68 Ca 0.03 -0.05 0.10 0.00 -0.06 0.00 0.00 57.16 57.18 1jup n GLU 68 Cb 0.19 -1.14 0.44 0.00 -0.06 0.00 0.00 31.44 30.86 1jup n GLU 68 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jup n GLN 69 N -1.60 0.07 0.10 5.31 10.64 -0.59 -2.38 117.38 128.93 1jup n GLN 69 Ca -0.00 0.21 0.03 0.00 -1.83 0.00 0.00 57.00 55.41 1jup n GLN 69 Cb 0.23 -1.60 0.41 0.00 -0.86 0.00 0.00 30.24 28.42 1jup n GLN 69 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 1jup h ILE 70 N 0.00 1.14 0.00 -0.39 1.08 -1.85 -2.07 117.51 115.42 1jup h ILE 70 Ca 0.00 -0.58 0.00 0.00 -0.39 0.00 0.00 64.86 63.89 1jup h ILE 70 Cb 0.39 1.02 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1jup h ILE 70 CO 0.00 0.19 0.00 0.11 -0.69 0.00 0.00 178.15 177.76 1jup h LYS 71 N 0.30 0.00 -5.04 2.37 1.57 -1.79 -3.40 116.57 110.57 1jup h LYS 71 Ca 0.07 0.00 -0.65 0.00 -1.87 0.00 0.00 60.65 58.20 1jup h LYS 71 Cb 0.24 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.30 1jup h LYS 71 CO 0.01 0.00 -0.69 0.00 -0.57 0.00 0.00 179.45 178.20 1jup s ALA 72 N -3.48 2.94 0.02 3.86 0.00 -0.78 -5.02 121.76 119.30 1jup s ALA 72 Ca 0.01 -1.09 -0.16 0.00 0.00 0.00 0.00 51.96 50.72 1jup s ALA 72 Cb 0.09 -1.78 -0.09 0.00 0.00 0.00 0.00 23.12 21.34 1jup s ALA 72 CO 0.35 -0.32 1.06 -0.22 0.00 0.00 0.00 175.76 176.64 1jup h LYS 73 N 7.86 -0.56 0.00 0.00 1.63 -1.83 -3.44 116.57 120.23 1jup h LYS 73 Ca -0.38 0.04 -0.32 0.00 -0.85 0.00 0.00 60.65 59.13 1jup h LYS 73 Cb 1.17 0.13 0.07 0.00 -0.60 0.00 0.00 32.23 33.00 1jup h LYS 73 CO 0.60 -0.38 0.13 -2.37 -3.45 0.00 0.00 179.45 173.98 1jup n THR 74 N -3.84 0.00 -0.03 1.00 5.66 -1.26 -4.95 114.28 110.86 1jup n THR 74 Ca -0.07 -1.03 -0.10 0.00 -3.05 0.00 0.00 64.05 59.80 1jup n THR 74 Cb 0.23 -1.17 -0.14 0.00 -1.55 0.00 0.00 70.33 67.70 1jup n THR 74 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1jup n ASN 75 N -3.09 0.90 -0.12 1.09 3.02 -1.26 -1.22 115.26 114.58 1jup n ASN 75 Ca 0.12 0.34 0.06 0.00 -0.03 0.00 0.00 54.58 55.07 1jup n ASN 75 Cb 0.42 -0.02 0.38 0.00 -0.61 0.00 0.00 39.78 39.95 1jup n ASN 75 CO 0.00 0.00 0.00 -0.09 -2.62 0.00 0.00 177.26 174.55 1jup h ARG 76 N 0.01 0.66 0.00 3.52 1.12 -1.95 -1.75 114.38 115.98 1jup h ARG 76 Ca -0.33 -0.04 -0.01 0.00 -1.11 0.00 0.00 59.98 58.48 1jup h ARG 76 Cb 2.04 -0.15 -0.00 0.00 -0.01 0.00 0.00 29.97 31.85 1jup h ARG 76 CO 0.07 0.43 -0.09 0.93 -3.11 0.00 0.00 179.97 178.20 1jup h GLU 77 N 0.68 0.00 -1.15 0.20 5.08 -1.94 -3.21 114.58 114.23 1jup h GLU 77 Ca 0.26 0.00 0.41 0.00 -1.00 0.00 0.00 59.36 59.03 1jup h GLU 77 Cb 0.18 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.28 1jup h GLU 77 CO -0.08 0.60 0.69 0.87 -1.00 0.00 0.00 179.01 180.09 1jup h LYS 78 N -1.00 0.09 0.34 2.33 1.57 -0.92 -0.12 116.57 118.87 1jup h LYS 78 Ca -0.02 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1jup h LYS 78 Cb 0.63 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1jup h LYS 78 CO -0.01 0.06 -0.17 0.35 -0.57 0.00 0.00 179.45 179.11 1jup h PHE 79 N 0.10 -0.43 -1.00 -1.35 3.57 -1.41 -1.55 116.94 114.87 1jup h PHE 79 Ca 0.82 -0.01 0.28 0.00 3.53 0.00 0.00 57.97 62.59 1jup h PHE 79 Cb 2.30 0.14 -0.19 0.00 2.79 0.00 0.00 35.95 41.00 1jup h PHE 79 CO -0.01 -0.27 0.03 1.88 -2.23 0.00 0.00 178.31 177.72 1jup h TYR 80 N -0.49 -0.04 0.00 0.41 0.05 -1.08 -1.56 116.97 114.25 1jup h TYR 80 Ca -0.05 0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1jup h TYR 80 Cb 0.35 0.18 0.00 0.00 1.01 0.00 0.00 36.73 38.28 1jup h TYR 80 CO 0.13 -0.45 0.00 -0.11 -1.05 0.00 0.00 178.16 176.69 1jup n LEU 81 N -5.50 0.00 -0.28 3.88 7.94 -0.44 -1.97 117.00 120.63 1jup n LEU 81 Ca 0.24 0.77 0.19 0.00 -1.11 0.00 0.00 56.01 56.09 1jup n LEU 81 Cb 0.78 -0.27 0.35 0.00 0.53 0.00 0.00 43.42 44.82 1jup n LEU 81 CO -0.07 -0.27 0.76 0.00 -1.11 0.00 0.00 177.39 176.70 1jup n TYR 82 N -1.48 0.72 -0.01 1.96 9.36 -0.59 0.20 117.16 127.32 1jup n TYR 82 Ca 0.00 0.99 -0.04 0.00 3.32 0.00 0.00 57.90 62.17 1jup n TYR 82 Cb 0.00 -1.24 0.19 0.00 -0.63 0.00 0.00 39.34 37.66 1jup n TYR 82 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 1jup h ASN 83 N 0.00 0.54 1.34 2.98 -0.26 -1.24 -2.43 115.58 116.51 1jup h ASN 83 Ca 0.59 -0.17 -0.11 0.00 -0.56 0.00 0.00 56.30 56.05 1jup h ASN 83 Cb 1.40 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 38.50 1jup h ASN 83 CO -0.72 0.76 -0.53 -0.08 -1.06 0.00 0.00 177.43 175.80 1jup h GLU 84 N 0.49 0.00 0.43 0.81 4.81 0.29 -3.28 114.58 118.13 1jup h GLU 84 Ca 0.08 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1jup h GLU 84 Cb 0.63 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1jup h GLU 84 CO 0.05 0.53 -0.21 -0.07 -0.73 0.00 0.00 179.01 178.57 1jup h LEU 85 N 0.00 -0.49 -0.33 1.64 4.07 -0.91 -3.09 115.31 116.19 1jup h LEU 85 Ca -0.01 0.02 0.13 0.00 0.08 0.00 0.00 57.88 58.10 1jup h LEU 85 Cb 1.34 0.13 -0.06 0.00 1.08 0.00 0.00 40.66 43.14 1jup h LEU 85 CO 0.07 -0.14 0.15 -1.20 -1.08 0.00 0.00 178.44 176.24 1jup n SER 86 N -4.78 0.09 -0.03 -0.43 7.64 -0.93 0.28 113.62 115.45 1jup n SER 86 Ca -0.07 0.56 -0.11 0.00 1.01 0.00 0.00 58.87 60.25 1jup n SER 86 Cb 0.23 -0.26 -0.05 0.00 -1.01 0.00 0.00 64.21 63.12 1jup n SER 86 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1jup h LEU 87 N 0.00 0.19 0.00 -3.43 3.38 -1.61 -3.36 115.31 110.48 1jup h LEU 87 Ca 0.27 -0.12 -0.14 0.00 0.09 0.00 0.00 57.88 57.98 1jup h LEU 87 Cb 0.69 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.37 1jup h LEU 87 CO -0.27 0.26 -1.70 0.35 0.09 0.00 0.00 178.44 177.17 1jup n THR 88 N -4.91 0.85 -1.61 0.22 -2.24 0.79 -4.98 114.28 102.40 1jup n THR 88 Ca -0.05 -0.66 -0.33 0.00 -2.27 0.00 0.00 64.05 60.75 1jup n THR 88 Cb 0.09 -0.45 0.06 0.00 -2.10 0.00 0.00 70.33 67.94 1jup n THR 88 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1jup s THR 89 N -3.05 3.00 -2.22 4.28 -1.32 -0.60 -4.93 115.64 110.80 1jup s THR 89 Ca -0.05 0.46 0.24 0.00 -1.21 0.00 0.00 61.69 61.13 1jup s THR 89 Cb 0.10 -2.97 0.16 0.00 -1.51 0.00 0.00 72.50 68.28 1jup s THR 89 CO 0.84 -0.30 1.31 -1.84 -2.21 0.00 0.00 174.62 172.42 1jup n GLU 90 N -2.63 1.41 -3.84 7.08 0.28 -1.26 -4.82 120.64 116.86 1jup n GLU 90 Ca 0.11 -1.07 -0.37 0.00 -0.16 0.00 0.00 57.16 55.67 1jup n GLU 90 Cb 0.52 -1.48 -0.06 0.00 1.43 0.00 0.00 31.44 31.85 1jup n GLU 90 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 177.13 177.68 1jup s TYR 91 N -2.33 3.61 0.00 -1.84 4.12 -1.26 -4.76 117.35 114.88 1jup s TYR 91 Ca 0.24 0.57 0.00 0.00 0.02 0.00 0.00 57.07 57.90 1jup s TYR 91 Cb 0.19 -1.98 0.00 0.00 -1.52 0.00 0.00 41.96 38.65 1jup s TYR 91 CO 0.48 0.72 0.00 0.98 0.02 0.00 0.00 175.55 177.75 1jup n TYR 92 N 2.01 0.00 0.22 2.71 4.19 -1.26 -4.58 117.16 120.45 1jup n TYR 92 Ca -0.19 0.00 0.13 0.00 3.31 0.00 0.00 57.90 61.15 1jup n TYR 92 Cb 0.55 0.00 0.69 0.00 0.49 0.00 0.00 39.34 41.06 1jup n TYR 92 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 1jup h TYR 93 N 0.00 0.00 0.00 2.98 0.05 -1.87 -2.72 116.97 115.41 1jup h TYR 93 Ca 0.00 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.66 1jup h TYR 93 Cb 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 1jup h TYR 93 CO 0.00 0.00 -1.04 -1.35 -1.05 0.00 0.00 178.16 174.72 1jup h PRO 94 N 0.00 0.00 -0.01 4.88 0.11 -1.86 -3.17 132.00 131.95 1jup h PRO 94 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jup h PRO 94 Cb 0.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1jup h PRO 94 CO 0.00 0.32 0.00 1.28 -0.21 0.00 0.00 178.00 179.39 1jup n LEU 95 N -2.98 0.32 -0.06 2.35 4.77 -1.03 -3.94 117.00 116.44 1jup n LEU 95 Ca -0.05 -0.12 -0.08 0.00 -0.03 0.00 0.00 56.01 55.74 1jup n LEU 95 Cb 0.77 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.84 1jup n LEU 95 CO 0.42 0.06 0.72 -0.61 -1.33 0.00 0.00 177.39 176.65 1jup h GLN 96 N 0.49 -0.18 -0.32 3.23 5.75 -1.56 0.39 115.11 122.91 1jup h GLN 96 Ca 0.00 0.01 0.07 0.00 -0.15 0.00 0.00 58.65 58.58 1jup h GLN 96 Cb 0.10 0.04 -0.08 0.00 1.07 0.00 0.00 27.48 28.62 1jup h GLN 96 CO 0.00 -0.12 -0.20 -0.97 -2.65 0.00 0.00 178.83 174.89 1jup h ASN 97 N -0.19 -0.66 1.12 -0.69 -1.24 -1.82 0.60 115.58 112.69 1jup h ASN 97 Ca 0.15 0.14 0.00 0.00 0.71 0.00 0.00 56.30 57.29 1jup h ASN 97 Cb 0.41 0.34 0.00 0.00 0.73 0.00 0.00 38.32 39.80 1jup h ASN 97 CO -0.38 -0.23 0.00 0.00 -1.29 0.00 0.00 177.43 175.53 1jup h ALA 98 N 1.02 1.00 -0.28 1.57 0.00 -1.72 -2.89 119.26 117.96 1jup h ALA 98 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.93 1jup h ALA 98 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1jup h ALA 98 CO -0.42 0.00 -0.39 0.82 0.00 0.00 0.00 179.25 179.27 1jup h ILE 99 N 0.00 1.30 -0.09 0.00 2.04 0.21 -1.18 117.51 119.79 1jup h ILE 99 Ca 0.00 -1.57 -0.12 0.00 1.00 0.00 0.00 64.86 64.16 1jup h ILE 99 Cb 0.56 1.63 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1jup h ILE 99 CO 0.00 0.51 -0.49 -0.29 0.00 0.00 0.00 178.15 177.87 1jup h ILE 100 N 0.51 1.34 0.56 -0.67 6.09 -1.20 -1.63 117.51 122.51 1jup h ILE 100 Ca 0.03 -1.72 -0.03 0.00 -1.37 0.00 0.00 64.86 61.78 1jup h ILE 100 Cb 0.98 1.82 0.01 0.00 0.47 0.00 0.00 36.82 40.10 1jup h ILE 100 CO 0.09 0.51 -0.27 -0.33 -3.07 0.00 0.00 178.15 175.08 1jup h GLU 101 N 0.18 -0.72 -0.53 2.19 5.08 -1.44 -2.69 114.58 116.64 1jup h GLU 101 Ca 0.01 0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.57 1jup h GLU 101 Cb 0.94 0.16 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1jup h GLU 101 CO 0.08 -0.41 0.48 0.35 -1.00 0.00 0.00 179.01 178.50 1jup h PHE 102 N -1.02 0.00 0.20 4.33 3.04 -1.08 -2.83 116.94 119.59 1jup h PHE 102 Ca -0.08 0.00 -0.34 0.00 3.98 0.00 0.00 57.97 61.53 1jup h PHE 102 Cb 0.64 0.00 0.02 0.00 2.56 0.00 0.00 35.95 39.17 1jup h PHE 102 CO 0.00 0.00 -1.65 -0.92 -2.02 0.00 0.00 178.31 173.73 1jup h TYR 103 N 0.00 0.78 -0.26 0.41 5.03 -1.14 -2.32 116.97 119.47 1jup h TYR 103 Ca 0.25 -0.57 0.00 0.00 2.58 0.00 0.00 58.73 61.00 1jup h TYR 103 Cb 1.21 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.45 1jup h TYR 103 CO 0.00 1.64 0.16 1.79 -1.32 0.00 0.00 178.16 180.43 1jup h THR 104 N 0.08 1.07 0.20 1.81 1.35 -1.24 -1.07 112.91 115.10 1jup h THR 104 Ca -0.32 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.39 1jup h THR 104 Cb 2.09 0.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.21 1jup h THR 104 CO 0.20 0.07 -0.09 -0.08 -0.25 0.00 0.00 175.52 175.36 1jup h GLU 105 N 0.35 -0.26 -1.04 4.72 4.81 -1.58 -3.31 114.58 118.28 1jup h GLU 105 Ca 0.09 0.02 -0.21 0.00 -0.13 0.00 0.00 59.36 59.13 1jup h GLU 105 Cb -0.03 0.06 -0.12 0.00 0.63 0.00 0.00 28.75 29.29 1jup h GLU 105 CO -0.02 -0.17 0.27 0.66 -0.73 0.00 0.00 179.01 179.02 1jup n TYR 106 N -4.05 1.23 0.30 0.92 4.01 -0.87 -4.54 117.16 114.15 1jup n TYR 106 Ca -0.03 -1.08 -0.14 0.00 -0.16 0.00 0.00 57.90 56.48 1jup n TYR 106 Cb 0.10 -0.55 -0.07 0.00 -0.31 0.00 0.00 39.34 38.51 1jup n TYR 106 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1jup h TYR 107 N 0.46 -0.96 -3.03 -0.72 -0.00 -1.28 -3.36 116.97 108.07 1jup h TYR 107 Ca 0.25 -0.01 -0.76 0.00 -0.00 0.00 0.00 58.73 58.21 1jup h TYR 107 Cb 1.70 0.35 -0.23 0.00 -0.00 0.00 0.00 36.73 38.54 1jup h TYR 107 CO 0.64 -0.53 0.72 0.15 -0.00 0.00 0.00 178.16 179.14 1jup s LYS 108 N -5.09 3.99 -0.33 1.82 -0.14 -1.26 -4.18 119.74 114.55 1jup s LYS 108 Ca -0.14 -2.71 0.14 0.00 -1.36 0.00 0.00 55.97 51.90 1jup s LYS 108 Cb 0.02 -4.74 0.42 0.00 -1.68 0.00 0.00 37.83 31.85 1jup s LYS 108 CO 0.43 -1.48 1.51 0.25 -0.76 0.00 0.00 175.35 175.30 1jup n THR 109 N 3.85 0.11 0.00 2.17 -2.24 -1.26 -5.07 114.28 111.84 1jup n THR 109 Ca 0.26 -1.17 0.00 0.00 -2.27 0.00 0.00 64.05 60.87 1jup n THR 109 Cb 0.43 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 1jup n THR 109 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jup n ASN 110 N -1.46 0.00 -0.32 3.42 5.03 -1.26 -3.29 115.26 117.38 1jup n ASN 110 Ca -0.16 0.00 -0.06 0.00 0.87 0.00 0.00 54.58 55.24 1jup n ASN 110 Cb 0.87 0.00 -0.03 0.00 -1.02 0.00 0.00 39.78 39.60 1jup n ASN 110 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1jup n SER 111 N 3.56 -0.72 0.09 6.41 3.41 -1.26 -0.51 113.62 124.61 1jup n SER 111 Ca 0.00 1.41 -0.12 0.00 -0.26 0.00 0.00 58.87 59.90 1jup n SER 111 Cb 0.00 -0.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1jup n SER 111 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1jup h ILE 112 N 0.00 0.79 0.00 -1.33 1.08 -1.85 0.12 117.51 116.32 1jup h ILE 112 Ca 0.19 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.66 1jup h ILE 112 Cb 0.39 0.79 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 1jup h ILE 112 CO -0.77 0.00 0.00 -3.20 -0.69 0.00 0.00 178.15 173.49 1jup n ASN 113 N -5.21 0.18 0.03 1.72 5.15 0.33 -1.31 115.26 116.15 1jup n ASN 113 Ca -0.07 -0.80 -0.01 0.00 -0.60 0.00 0.00 54.58 53.10 1jup n ASN 113 Cb 0.13 -0.09 -0.00 0.00 -0.53 0.00 0.00 39.78 39.29 1jup n ASN 113 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1jup n GLU 114 N -0.15 0.03 -0.04 1.20 2.13 0.20 -4.35 120.64 119.66 1jup n GLU 114 Ca 0.00 0.01 0.05 0.00 0.66 0.00 0.00 57.16 57.89 1jup n GLU 114 Cb 0.04 -0.56 0.42 0.00 0.27 0.00 0.00 31.44 31.62 1jup n GLU 114 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 1jup h LYS 115 N -0.06 0.56 -0.39 5.31 1.79 -0.92 -0.45 116.57 122.40 1jup h LYS 115 Ca -0.01 -0.03 0.01 0.00 -2.18 0.00 0.00 60.65 58.44 1jup h LYS 115 Cb 0.29 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 30.80 1jup h LYS 115 CO -0.01 0.37 0.26 1.98 -1.08 0.00 0.00 179.45 180.97 1jup h MET 116 N 0.57 0.46 0.02 3.15 4.05 -1.41 0.72 114.93 122.50 1jup h MET 116 Ca 0.20 -0.03 -0.26 0.00 -0.28 0.00 0.00 59.70 59.32 1jup h MET 116 Cb 0.07 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.73 1jup h MET 116 CO -0.05 0.30 -1.41 -0.91 0.23 0.00 0.00 176.91 175.07 1jup h ASN 117 N 0.47 0.08 -0.57 1.39 -0.26 -1.32 0.39 115.58 115.77 1jup h ASN 117 Ca 0.15 -0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.74 1jup h ASN 117 Cb 0.02 -0.03 -0.03 0.00 -1.06 0.00 0.00 38.32 37.22 1jup h ASN 117 CO -0.03 1.10 0.27 0.11 -1.06 0.00 0.00 177.43 177.82 1jup h LYS 118 N 0.01 0.86 0.21 0.81 1.57 -0.58 0.45 116.57 119.91 1jup h LYS 118 Ca -0.18 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.48 1jup h LYS 118 Cb 1.92 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 34.08 1jup h LYS 118 CO 0.11 0.68 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.51 1jup h LEU 119 N 0.85 -0.24 -1.77 2.94 3.38 -0.80 -2.10 115.31 117.58 1jup h LEU 119 Ca 0.21 0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.39 1jup h LEU 119 Cb 0.12 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1jup h LEU 119 CO -0.02 0.09 0.70 -0.33 0.09 0.00 0.00 178.44 178.96 1jup h GLU 120 N -0.79 0.00 0.15 1.13 5.08 -0.15 -2.12 114.58 117.88 1jup h GLU 120 Ca -0.03 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1jup h GLU 120 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1jup h GLU 120 CO 0.05 0.00 -0.07 -0.91 -1.00 0.00 0.00 179.01 177.08 1jup h ASN 121 N 0.00 -0.17 -0.83 1.42 -0.26 -0.09 -3.30 115.58 112.36 1jup h ASN 121 Ca 0.33 0.01 0.15 0.00 -0.56 0.00 0.00 56.30 56.23 1jup h ASN 121 Cb 1.73 0.04 -0.15 0.00 -1.06 0.00 0.00 38.32 38.88 1jup h ASN 121 CO -0.00 0.17 -0.25 1.17 -1.06 0.00 0.00 177.43 177.46 1jup n LYS 122 N -4.15 -0.12 0.19 0.81 4.81 -0.79 0.11 118.16 119.01 1jup n LYS 122 Ca -0.02 1.29 0.14 0.00 -0.87 0.00 0.00 58.31 58.84 1jup n LYS 122 Cb 0.08 -1.92 0.61 0.00 0.02 0.00 0.00 35.03 33.82 1jup n LYS 122 CO 0.00 0.00 0.00 0.10 1.17 0.00 0.00 177.40 178.67 1jup h TYR 123 N 0.00 0.00 0.04 5.64 -0.00 -1.67 -2.75 116.97 118.23 1jup h TYR 123 Ca 0.36 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 59.02 1jup h TYR 123 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 36.73 37.30 1jup h TYR 123 CO -0.67 0.00 -0.27 0.82 -0.00 0.00 0.00 178.16 178.03 1jup h ILE 124 N 0.00 1.67 0.00 -0.90 1.08 0.75 -3.31 117.51 116.81 1jup h ILE 124 Ca 0.00 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 1jup h ILE 124 Cb 0.34 3.23 0.00 0.00 -3.07 0.00 0.00 36.82 37.32 1jup h ILE 124 CO 0.00 0.63 0.72 -0.78 -0.69 0.00 0.00 178.15 178.03 1jup h ASP 125 N -0.74 0.00 0.09 1.72 3.58 -1.07 0.92 116.42 120.92 1jup h ASP 125 Ca -0.05 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.40 1jup h ASP 125 Cb 1.18 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1jup h ASP 125 CO 0.05 0.00 -0.04 0.00 -2.88 0.00 0.00 179.24 176.37 1jup h ALA 126 N 0.50 -0.12 -0.40 -0.78 0.00 -1.64 -2.41 119.26 114.41 1jup h ALA 126 Ca 0.00 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.72 1jup h ALA 126 Cb 1.44 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1jup h ALA 126 CO 0.00 -0.47 -0.05 1.88 0.00 0.00 0.00 179.25 180.60 1jup h TYR 127 N -0.32 0.83 -0.97 0.00 0.05 0.64 -2.95 116.97 114.25 1jup h TYR 127 Ca -0.01 -0.16 0.31 0.00 0.05 0.00 0.00 58.73 58.92 1jup h TYR 127 Cb 0.26 -0.21 -0.17 0.00 1.01 0.00 0.00 36.73 37.63 1jup h TYR 127 CO -0.01 0.85 0.28 1.25 -1.05 0.00 0.00 178.16 179.49 1jup h HIS 128 N 0.56 0.41 0.08 4.88 2.76 -1.20 0.47 115.15 123.11 1jup h HIS 128 Ca 0.11 0.05 -0.27 0.00 -2.20 0.00 0.00 60.37 58.06 1jup h HIS 128 Cb 0.56 -0.02 0.02 0.00 1.55 0.00 0.00 27.41 29.52 1jup h HIS 128 CO 0.04 -0.37 -1.15 0.28 -1.30 0.00 0.00 177.93 175.44 1jup h VAL 129 N 0.09 1.36 0.47 5.26 2.07 -1.38 -1.86 116.25 122.26 1jup h VAL 129 Ca 0.68 -2.57 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 1jup h VAL 129 Cb 1.55 2.65 -0.01 0.00 -1.52 0.00 0.00 31.29 33.97 1jup h VAL 129 CO -0.78 0.77 -0.30 0.40 0.02 0.00 0.00 177.57 177.68 1jup h ILE 130 N 0.22 0.38 -0.71 4.57 1.08 0.01 -2.26 117.51 120.81 1jup h ILE 130 Ca -0.14 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.27 1jup h ILE 130 Cb 1.82 0.38 -0.03 0.00 -3.07 0.00 0.00 36.82 35.92 1jup h ILE 130 CO 0.21 0.00 0.23 -0.26 -0.69 0.00 0.00 178.15 177.63 1jup h PHE 131 N -0.74 1.15 0.82 1.37 0.04 -1.11 -1.53 116.94 116.93 1jup h PHE 131 Ca -0.05 -0.11 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 1jup h PHE 131 Cb 0.61 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.43 1jup h PHE 131 CO -0.10 0.91 -0.43 -0.22 -0.60 0.00 0.00 178.31 177.87 1jup h LYS 132 N 1.05 -1.10 -0.67 1.51 3.64 -1.29 -1.76 116.57 117.96 1jup h LYS 132 Ca 0.23 0.07 0.14 0.00 -1.27 0.00 0.00 60.65 59.83 1jup h LYS 132 Cb 0.30 0.25 -0.11 0.00 -0.41 0.00 0.00 32.23 32.26 1jup h LYS 132 CO -0.01 -0.73 0.02 0.93 -2.27 0.00 0.00 179.45 177.39 1jup h GLU 133 N -1.14 0.12 -0.75 1.90 4.39 -1.41 0.67 114.58 118.36 1jup h GLU 133 Ca -0.11 -0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.75 1jup h GLU 133 Cb 0.89 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 29.46 1jup h GLU 133 CO 0.16 0.08 0.51 0.78 -1.16 0.00 0.00 179.01 179.38 1jup h GLY 134 N 0.13 0.57 0.00 -3.84 0.00 -1.08 -2.80 103.07 96.05 1jup h GLY 134 Ca 0.36 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.55 1jup h GLY 134 CO -0.57 0.04 0.00 0.70 0.00 0.00 0.00 176.54 176.71 1jup n ASN 135 N -4.45 0.00 -2.47 0.19 3.02 0.22 0.98 115.26 112.76 1jup n ASN 135 Ca 0.15 0.56 -0.10 0.00 -0.03 0.00 0.00 54.58 55.15 1jup n ASN 135 Cb 0.59 -0.27 -0.07 0.00 -0.61 0.00 0.00 39.78 39.41 1jup n ASN 135 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jup n LEU 136 N -1.32 3.40 -0.06 3.41 -0.00 -0.72 0.76 117.00 122.46 1jup n LEU 136 Ca 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 56.01 53.80 1jup n LEU 136 Cb 0.00 -0.86 0.00 0.00 -0.00 0.00 0.00 43.42 42.56 1jup n LEU 136 CO 0.00 0.68 0.03 -3.20 -0.00 0.00 0.00 177.39 174.90 1jup n ASN 137 N 3.11 0.00 -2.94 1.45 5.15 -1.07 -4.92 115.26 116.04 1jup n ASN 137 Ca 0.29 -0.45 -0.12 0.00 -0.60 0.00 0.00 54.58 53.70 1jup n ASN 137 Cb 0.41 0.00 -0.01 0.00 -0.53 0.00 0.00 39.78 39.65 1jup n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jup n GLY 138 N 0.00 -0.48 0.21 8.20 0.00 0.23 -4.75 105.19 108.60 1jup n GLY 138 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1jup n GLY 138 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1jup h GLU 139 N -0.28 0.00 0.00 1.61 5.08 0.44 -3.48 114.58 117.96 1jup h GLU 139 Ca -0.20 0.00 0.04 0.00 -1.00 0.00 0.00 59.36 58.19 1jup h GLU 139 Cb 1.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 1jup h GLU 139 CO 0.27 0.01 0.17 -2.67 -1.00 0.00 0.00 179.01 175.80 1jup n TRP 140 N -3.07 -1.03 -3.53 4.33 2.14 -0.75 -5.01 117.44 110.52 1jup n TRP 140 Ca 0.04 -0.50 -0.21 0.00 2.07 0.00 0.00 57.50 58.90 1jup n TRP 140 Cb 0.54 0.25 -0.14 0.00 -0.81 0.00 0.00 31.31 31.14 1jup n TRP 140 CO 0.00 0.00 0.00 -1.54 2.07 0.00 0.00 177.69 178.22 1jup s SER 141 N -1.81 1.70 -0.19 -0.67 1.04 -1.26 -4.13 113.70 108.39 1jup s SER 141 Ca 0.07 -0.35 -0.01 0.00 0.48 0.00 0.00 55.95 56.14 1jup s SER 141 Cb -0.01 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.29 1jup s SER 141 CO 0.03 -0.33 -0.14 -0.63 0.98 0.00 0.00 173.24 173.14 1jup s ILE 142 N 2.26 2.55 0.00 -1.02 1.01 -1.26 -4.94 121.20 119.80 1jup s ILE 142 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.93 1jup s ILE 142 Cb -0.16 -2.11 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1jup s ILE 142 CO -0.11 0.50 0.63 -0.46 0.00 0.00 0.00 174.94 175.50 1jup n ASN 143 N 4.62 0.00 -4.08 3.58 6.94 -1.26 -4.06 115.26 121.01 1jup n ASN 143 Ca -0.20 0.63 -0.35 0.00 -0.02 0.00 0.00 54.58 54.65 1jup n ASN 143 Cb 0.50 -0.13 -0.12 0.00 -2.36 0.00 0.00 39.78 37.67 1jup n ASN 143 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1jup s ASP 144 N -2.83 5.07 0.47 0.53 3.68 -1.26 -4.93 116.67 117.39 1jup s ASP 144 Ca 0.00 -2.47 0.18 0.00 2.13 0.00 0.00 52.55 52.40 1jup s ASP 144 Cb 0.00 -1.79 1.17 0.00 -1.45 0.00 0.00 42.92 40.85 1jup s ASP 144 CO 0.00 -0.42 1.98 0.58 0.13 0.00 0.00 175.17 177.44 1jup h VAL 145 N 5.90 0.82 0.23 1.11 2.07 -1.99 -2.15 116.25 122.24 1jup h VAL 145 Ca -0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.35 1jup h VAL 145 Cb 0.99 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1jup h VAL 145 CO 0.68 0.05 -0.11 -1.13 0.02 0.00 0.00 177.57 177.08 1jup h ASN 146 N 0.25 -0.26 -0.36 0.57 -1.24 -1.94 -1.84 115.58 110.76 1jup h ASN 146 Ca 0.28 -0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.20 1jup h ASN 146 Cb 0.76 0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.85 1jup h ASN 146 CO -0.06 -0.06 0.23 0.00 -1.29 0.00 0.00 177.43 176.25 1jup h ALA 147 N 0.27 0.46 0.00 1.57 0.00 -1.83 -1.75 119.26 117.97 1jup h ALA 147 Ca -0.03 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1jup h ALA 147 Cb 0.35 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1jup h ALA 147 CO 0.05 -0.11 -0.09 0.28 0.00 0.00 0.00 179.25 179.38 1jup h VAL 148 N 0.46 0.98 0.62 0.00 2.07 -1.47 -0.53 116.25 118.36 1jup h VAL 148 Ca 0.14 -0.32 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1jup h VAL 148 Cb -0.03 1.18 0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1jup h VAL 148 CO -0.05 0.09 -0.30 0.28 0.02 0.00 0.00 177.57 177.62 1jup h SER 149 N 0.00 -0.70 -0.63 0.57 0.02 -0.47 -0.55 113.55 111.79 1jup h SER 149 Ca -0.00 0.02 0.12 0.00 -0.84 0.00 0.00 61.79 61.09 1jup h SER 149 Cb 0.17 0.18 -0.12 0.00 0.14 0.00 0.00 62.40 62.77 1jup h SER 149 CO 0.01 -0.31 -0.25 0.11 -1.14 0.00 0.00 176.83 175.26 1jup h LYS 150 N -1.21 -0.08 -0.01 3.45 1.57 -1.12 -1.01 116.57 118.16 1jup h LYS 150 Ca -0.08 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1jup h LYS 150 Cb 0.63 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1jup h LYS 150 CO 0.14 -0.05 -0.07 0.82 -0.57 0.00 0.00 179.45 179.72 1jup h ILE 151 N -0.08 0.00 -0.79 1.86 2.04 -1.00 -1.63 117.51 117.91 1jup h ILE 151 Ca 0.28 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.21 1jup h ILE 151 Cb 0.52 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.51 1jup h ILE 151 CO -0.69 0.00 -0.49 0.00 0.00 0.00 0.00 178.15 176.98 1jup h ALA 152 N -1.31 -0.47 -0.62 1.87 0.00 -0.61 -1.97 119.26 116.15 1jup h ALA 152 Ca 0.00 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.06 1jup h ALA 152 Cb 0.08 1.30 -0.08 0.00 0.00 0.00 0.00 17.79 19.09 1jup h ALA 152 CO -0.05 -0.81 -0.39 0.00 0.00 0.00 0.00 179.25 178.00 1jup h ALA 153 N 0.20 -0.40 -0.74 0.00 0.00 -0.94 0.17 119.26 117.56 1jup h ALA 153 Ca 0.13 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1jup h ALA 153 Cb 0.35 1.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.32 1jup h ALA 153 CO -0.76 -0.67 0.40 -0.91 0.00 0.00 0.00 179.25 177.31 1jup h ASN 154 N -0.04 0.91 -0.24 0.00 2.35 -0.60 -0.55 115.58 117.41 1jup h ASN 154 Ca 0.10 -0.07 -0.10 0.00 -0.55 0.00 0.00 56.30 55.68 1jup h ASN 154 Cb 0.29 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 1jup h ASN 154 CO -0.60 0.73 -0.24 0.00 -1.65 0.00 0.00 177.43 175.67 1jup h ALA 155 N 1.41 0.36 -0.74 -0.83 0.00 -0.64 -0.90 119.26 117.92 1jup h ALA 155 Ca 0.26 -0.38 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1jup h ALA 155 Cb 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1jup h ALA 155 CO -0.04 0.33 0.49 0.28 0.00 0.00 0.00 179.25 180.30 1jup h VAL 156 N 0.30 1.12 0.00 0.00 2.07 -0.49 0.35 116.25 119.60 1jup h VAL 156 Ca 0.04 -0.31 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1jup h VAL 156 Cb 0.80 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1jup h VAL 156 CO 0.06 0.17 -0.08 -1.13 0.02 0.00 0.00 177.57 176.60 1jup h ASN 157 N 0.91 0.00 0.04 0.57 -0.73 -0.80 -1.46 115.58 114.11 1jup h ASN 157 Ca 0.29 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.41 1jup h ASN 157 Cb 0.03 0.00 0.01 0.00 0.27 0.00 0.00 38.32 38.63 1jup h ASN 157 CO -0.08 0.08 -0.24 1.23 -0.37 0.00 0.00 177.43 178.06 1jup h GLY 158 N 1.89 0.11 0.93 1.57 0.00 0.11 -2.36 103.07 105.32 1jup h GLY 158 Ca -0.00 -0.26 0.09 0.00 0.00 0.00 0.00 47.33 47.16 1jup h GLY 158 CO 0.01 0.23 0.48 -2.22 0.00 0.00 0.00 176.54 175.04 1jup h ILE 159 N -0.79 0.95 0.24 2.60 1.08 -0.82 -0.06 117.51 120.70 1jup h ILE 159 Ca -0.04 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 1jup h ILE 159 Cb 1.17 0.25 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 1jup h ILE 159 CO 0.04 0.12 -0.11 0.58 -0.69 0.00 0.00 178.15 178.09 1jup h VAL 160 N 0.64 0.64 -0.00 1.67 2.07 -1.30 -3.32 116.25 116.64 1jup h VAL 160 Ca 0.33 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1jup h VAL 160 Cb 0.44 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.26 1jup h VAL 160 CO -0.11 0.16 -0.05 0.35 0.02 0.00 0.00 177.57 177.93 1jup n THR 161 N -5.00 0.00 -0.65 2.57 -2.24 -0.89 -3.69 114.28 104.38 1jup n THR 161 Ca -0.08 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1jup n THR 161 Cb 0.25 -0.26 0.27 0.00 -2.10 0.00 0.00 70.33 68.49 1jup n THR 161 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jup n PHE 162 N -0.99 1.04 -1.86 4.78 0.99 -0.06 -4.42 117.46 116.94 1jup n PHE 162 Ca 0.17 -0.68 0.00 0.00 -0.00 0.00 0.00 57.45 56.93 1jup n PHE 162 Cb 0.23 -0.23 0.00 0.00 -1.00 0.00 0.00 39.48 38.49 1jup n PHE 162 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1jup n THR 163 N 0.33 0.00 0.00 4.37 -2.24 -1.24 -4.90 114.28 110.60 1jup n THR 163 Ca 0.20 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.98 1jup n THR 163 Cb 0.78 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 1jup n THR 163 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1jup n HIS 164 N 0.00 0.00 -0.09 4.78 8.25 -1.25 -2.17 115.22 124.73 1jup n HIS 164 Ca 0.00 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.36 1jup n HIS 164 Cb 0.66 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.73 1jup n HIS 164 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 1jup n GLU 165 N -0.68 0.53 -0.68 -0.41 -0.00 -1.26 -5.05 120.64 113.09 1jup n GLU 165 Ca 0.00 0.23 -0.25 0.00 -0.00 0.00 0.00 57.16 57.14 1jup n GLU 165 Cb 0.00 -1.45 0.03 0.00 -0.00 0.00 0.00 31.44 30.02 1jup n GLU 165 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1jup n GLN 166 N -4.45 0.00 -2.26 3.44 1.13 -0.92 -4.84 117.38 109.47 1jup n GLN 166 Ca -0.17 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.48 1jup n GLN 166 Cb 0.54 -0.68 -0.03 0.00 0.11 0.00 0.00 30.24 30.17 1jup n GLN 166 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1jup s ASN 167 N -0.68 6.95 0.56 1.08 2.47 -1.26 -4.88 114.94 119.18 1jup s ASN 167 Ca 0.27 2.36 0.35 0.00 0.42 0.00 0.00 52.86 56.26 1jup s ASN 167 Cb -0.09 -2.61 1.49 0.00 -1.45 0.00 0.00 41.25 38.59 1jup s ASN 167 CO 0.55 -0.48 1.76 0.40 -3.72 0.00 0.00 177.10 175.61 1jup h ILE 168 N 3.72 0.34 0.00 -5.21 1.08 -1.96 0.17 117.51 115.65 1jup h ILE 168 Ca -0.45 0.00 -0.19 0.00 -0.39 0.00 0.00 64.86 63.83 1jup h ILE 168 Cb 1.21 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1jup h ILE 168 CO 0.76 0.00 -0.91 0.78 -0.69 0.00 0.00 178.15 178.09 1jup h ASN 169 N 0.00 0.00 -0.14 1.72 4.21 -2.00 -3.15 115.58 116.22 1jup h ASN 169 Ca 0.50 -0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.92 1jup h ASN 169 Cb 2.18 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 39.39 1jup h ASN 169 CO -0.01 0.91 -0.27 -0.33 -1.29 0.00 0.00 177.43 176.45 1jup h GLU 170 N 0.00 0.43 -0.52 0.81 4.39 -1.04 -2.56 114.58 116.09 1jup h GLU 170 Ca -0.01 -0.28 0.07 0.00 0.34 0.00 0.00 59.36 59.49 1jup h GLU 170 Cb 1.62 0.03 -0.03 0.00 -0.10 0.00 0.00 28.75 30.27 1jup h GLU 170 CO 0.12 0.88 0.35 0.00 -1.16 0.00 0.00 179.01 179.19 1jup h ARG 171 N 0.04 0.38 -0.03 2.33 3.08 -1.56 0.03 114.38 118.65 1jup h ARG 171 Ca 0.01 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 1jup h ARG 171 Cb 0.86 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1jup h ARG 171 CO 0.06 0.25 -0.69 0.82 -1.07 0.00 0.00 179.97 179.35 1jup h ILE 172 N 0.40 1.44 0.00 2.04 2.04 -1.47 -1.13 117.51 120.83 1jup h ILE 172 Ca 0.23 -2.22 -0.02 0.00 1.00 0.00 0.00 64.86 63.84 1jup h ILE 172 Cb 0.40 2.18 -0.00 0.00 -0.74 0.00 0.00 36.82 38.65 1jup h ILE 172 CO -0.06 0.65 -0.12 0.11 0.00 0.00 0.00 178.15 178.73 1jup h LYS 173 N 0.11 0.00 0.00 2.37 1.57 -0.69 -2.29 116.57 117.64 1jup h LYS 173 Ca -0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1jup h LYS 173 Cb 1.23 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.53 1jup h LYS 173 CO 0.10 0.12 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.95 1jup h LEU 174 N 0.00 0.00 -0.48 2.94 3.38 -0.92 -3.08 115.31 117.16 1jup h LEU 174 Ca -0.00 -0.43 0.10 0.00 0.09 0.00 0.00 57.88 57.64 1jup h LEU 174 Cb 0.90 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.56 1jup h LEU 174 CO 0.02 0.76 -0.18 -0.03 0.09 0.00 0.00 178.44 179.10 1jup h MET 175 N -1.00 -0.07 -0.32 1.13 4.05 -1.27 0.45 114.93 117.90 1jup h MET 175 Ca -0.01 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.48 1jup h MET 175 Cb 0.49 0.02 -0.07 0.00 -0.80 0.00 0.00 31.60 31.23 1jup h MET 175 CO -0.01 -0.05 -0.18 -0.91 0.23 0.00 0.00 176.91 175.99 1jup h ASN 176 N -0.07 -0.61 -0.16 1.39 4.21 -1.55 0.29 115.58 119.08 1jup h ASN 176 Ca 0.23 0.13 -0.01 0.00 1.21 0.00 0.00 56.30 57.87 1jup h ASN 176 Cb 0.42 0.32 -0.01 0.00 -1.12 0.00 0.00 38.32 37.93 1jup h ASN 176 CO -0.53 -0.22 0.08 0.50 -1.29 0.00 0.00 177.43 175.97 1jup h LYS 177 N -0.14 0.24 -0.36 0.81 1.63 -1.23 0.86 116.57 118.38 1jup h LYS 177 Ca 0.17 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.99 1jup h LYS 177 Cb 0.39 -0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 31.92 1jup h LYS 177 CO -0.41 0.29 0.00 0.35 -3.45 0.00 0.00 179.45 176.23 1jup h PHE 178 N 0.13 -0.02 -0.90 1.91 3.57 -0.57 -0.12 116.94 120.94 1jup h PHE 178 Ca 0.06 0.03 0.11 0.00 3.53 0.00 0.00 57.97 61.70 1jup h PHE 178 Cb 0.13 0.06 -0.07 0.00 2.79 0.00 0.00 35.95 38.87 1jup h PHE 178 CO -0.02 -0.07 0.58 1.03 -2.23 0.00 0.00 178.31 177.60 1jup h SER 179 N 0.10 0.77 0.02 0.41 0.87 0.01 -0.58 113.55 115.14 1jup h SER 179 Ca 0.18 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.77 1jup h SER 179 Cb 0.24 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1jup h SER 179 CO -0.29 0.43 -0.01 -0.61 -0.53 0.00 0.00 176.83 175.82 1jup h GLN 180 N 0.83 -0.02 -0.10 2.24 4.15 0.83 -2.70 115.11 120.35 1jup h GLN 180 Ca 0.43 0.00 0.04 0.00 0.77 0.00 0.00 58.65 59.90 1jup h GLN 180 Cb 0.52 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 28.16 1jup h GLN 180 CO -0.20 0.45 -0.28 0.82 -1.93 0.00 0.00 178.83 177.69 1jup h ILE 181 N -0.50 0.35 -0.64 2.39 1.08 -0.54 -2.07 117.51 117.58 1jup h ILE 181 Ca -0.00 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.52 1jup h ILE 181 Cb 0.48 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 34.54 1jup h ILE 181 CO 0.00 0.00 0.43 0.15 -0.69 0.00 0.00 178.15 178.04 1jup h PHE 182 N -0.37 0.67 -0.07 1.37 3.04 -1.19 -0.71 116.94 119.67 1jup h PHE 182 Ca 0.09 0.02 -0.15 0.00 3.98 0.00 0.00 57.97 61.90 1jup h PHE 182 Cb 0.51 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 1jup h PHE 182 CO -0.36 0.37 -0.63 -0.07 -2.02 0.00 0.00 178.31 175.59 1jup h LEU 183 N 0.68 0.31 0.00 0.59 4.07 -1.06 -2.71 115.31 117.18 1jup h LEU 183 Ca 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 57.88 58.05 1jup h LEU 183 Cb 0.22 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.87 1jup h LEU 183 CO -0.08 0.86 0.00 0.59 -1.08 0.00 0.00 178.44 178.73 1jup n ASN 184 N -3.86 0.00 -0.01 -0.43 5.03 -0.34 -2.47 115.26 113.18 1jup n ASN 184 Ca -0.03 -0.49 -0.08 0.00 0.87 0.00 0.00 54.58 54.85 1jup n ASN 184 Cb 0.64 -0.13 -0.13 0.00 -1.02 0.00 0.00 39.78 39.14 1jup n ASN 184 CO 0.00 0.00 0.00 1.23 -1.83 0.00 0.00 177.26 176.66 1jup h GLY 185 N 4.22 0.00 0.88 7.41 0.00 -1.05 -3.31 103.07 111.22 1jup h GLY 185 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jup h GLY 185 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.58 1jup n LEU 186 N -3.06 0.00 0.00 3.11 4.77 -1.03 -5.12 117.00 115.66 1jup n LEU 186 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 1jup n LEU 186 Cb 1.02 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.11 1jup n LEU 186 CO 0.45 0.00 0.00 -0.24 -1.33 0.00 0.00 177.39 176.27