#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jup n LEU 3 N 0.00 0.00 -0.01 1.20 -0.00 -1.26 -4.70 117.00 112.23 1jup n LEU 3 Ca 0.00 -0.01 0.01 0.00 -0.00 0.00 0.00 56.01 56.01 1jup n LEU 3 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1jup n LEU 3 CO 0.00 0.02 -0.61 1.17 -0.00 0.00 0.00 177.39 177.97 1jup n LYS 4 N 0.00 1.15 0.00 1.96 0.00 -1.26 -3.41 118.16 116.60 1jup n LYS 4 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 58.31 58.40 1jup n LYS 4 Cb 0.35 -1.15 0.34 0.00 0.00 0.00 0.00 35.03 34.57 1jup n LYS 4 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1jup n ASP 5 N -1.89 0.69 -0.05 3.14 8.00 -1.26 -2.65 116.55 122.54 1jup n ASP 5 Ca -0.04 -0.50 -0.22 0.00 0.71 0.00 0.00 54.79 54.74 1jup n ASP 5 Cb 0.34 0.16 -0.13 0.00 -0.02 0.00 0.00 41.12 41.47 1jup n ASP 5 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1jup n LYS 6 N -1.12 0.67 -0.24 -1.24 4.81 -1.26 -2.31 118.16 117.46 1jup n LYS 6 Ca 0.09 0.40 -0.03 0.00 -0.87 0.00 0.00 58.31 57.89 1jup n LYS 6 Cb 0.34 -1.72 0.08 0.00 0.02 0.00 0.00 35.03 33.75 1jup n LYS 6 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 1jup h ILE 7 N -0.42 1.08 -0.01 3.15 1.08 -1.60 0.36 117.51 121.15 1jup h ILE 7 Ca -0.41 -0.28 -0.06 0.00 -0.39 0.00 0.00 64.86 63.72 1jup h ILE 7 Cb 1.71 0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 1jup h ILE 7 CO -0.06 0.15 -0.28 -0.07 -0.69 0.00 0.00 178.15 177.20 1jup h LEU 8 N 0.83 0.02 0.50 1.44 3.38 -1.64 -2.32 115.31 117.52 1jup h LEU 8 Ca 0.28 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1jup h LEU 8 Cb 0.03 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 1jup h LEU 8 CO -0.11 0.30 -0.24 1.23 0.09 0.00 0.00 178.44 179.71 1jup h GLY 9 N 0.86 -0.71 1.21 0.83 0.00 -0.56 -1.74 103.07 102.96 1jup h GLY 9 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 1jup h GLY 9 CO 0.04 -0.26 0.39 -2.08 0.00 0.00 0.00 176.54 174.63 1jup h VAL 10 N -0.96 1.22 0.30 4.60 2.07 -1.25 -2.61 116.25 119.63 1jup h VAL 10 Ca -0.07 -0.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.85 1jup h VAL 10 Cb 0.61 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 1jup h VAL 10 CO 0.11 0.26 -0.17 0.00 0.02 0.00 0.00 177.57 177.79 1jup h ALA 11 N 1.39 -1.06 -0.43 1.67 0.00 -1.39 0.24 119.26 119.68 1jup h ALA 11 Ca 0.26 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.14 1jup h ALA 11 Cb 0.05 0.25 -0.09 0.00 0.00 0.00 0.00 17.79 18.00 1jup h ALA 11 CO -0.04 -1.04 -0.51 -0.22 0.00 0.00 0.00 179.25 177.44 1jup h LYS 12 N -0.44 -0.35 -0.82 0.00 3.64 -1.34 0.60 116.57 117.87 1jup h LYS 12 Ca -0.04 0.02 0.22 0.00 -1.27 0.00 0.00 60.65 59.58 1jup h LYS 12 Cb 0.34 0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 32.20 1jup h LYS 12 CO 0.05 -0.23 0.57 1.49 -2.27 0.00 0.00 179.45 179.06 1jup h GLU 13 N -0.36 0.14 0.14 1.90 4.57 -1.45 -1.45 114.58 118.07 1jup h GLU 13 Ca 0.10 -0.01 -0.22 0.00 -1.18 0.00 0.00 59.36 58.06 1jup h GLU 13 Cb 0.59 -0.03 0.02 0.00 -0.16 0.00 0.00 28.75 29.17 1jup h GLU 13 CO -0.60 0.09 -1.00 -0.07 -1.18 0.00 0.00 179.01 176.26 1jup h LEU 14 N 0.15 0.46 -0.31 1.64 3.38 0.35 -3.24 115.31 117.74 1jup h LEU 14 Ca 0.40 -0.92 0.03 0.00 0.09 0.00 0.00 57.88 57.48 1jup h LEU 14 Cb 1.36 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.93 1jup h LEU 14 CO -0.06 1.46 0.11 -0.26 0.09 0.00 0.00 178.44 179.78 1jup h PHE 15 N -0.34 0.20 -0.49 1.13 0.05 0.94 -1.60 116.94 116.82 1jup h PHE 15 Ca -0.19 0.02 0.11 0.00 3.82 0.00 0.00 57.97 61.73 1jup h PHE 15 Cb 1.69 -0.04 -0.03 0.00 2.00 0.00 0.00 35.95 39.58 1jup h PHE 15 CO 0.18 0.09 0.34 0.82 -0.18 0.00 0.00 178.31 179.55 1jup h ILE 16 N 0.25 0.83 -0.41 -0.55 2.04 -1.52 0.09 117.51 118.24 1jup h ILE 16 Ca 0.14 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.94 1jup h ILE 16 Cb 0.11 0.65 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1jup h ILE 16 CO -0.14 0.03 0.00 0.29 0.00 0.00 0.00 178.15 178.33 1jup n LYS 17 N -4.44 2.72 0.00 2.37 4.76 -0.86 -4.75 118.16 117.96 1jup n LYS 17 Ca 0.08 -2.14 0.00 0.00 -2.87 0.00 0.00 58.31 53.38 1jup n LYS 17 Cb 0.45 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1jup n LYS 17 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1jup n ASN 18 N 0.78 0.00 0.00 4.39 3.02 -0.66 -5.06 115.26 117.73 1jup n ASN 18 Ca 0.14 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.69 1jup n ASN 18 Cb 0.46 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.63 1jup n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jup n GLY 19 N 0.56 1.74 0.04 7.41 0.00 -0.03 -4.43 105.19 110.48 1jup n GLY 19 Ca 0.00 -2.23 -0.01 0.00 0.00 0.00 0.00 46.02 43.79 1jup n GLY 19 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1jup h TYR 20 N 0.00 0.00 -1.07 1.61 3.20 -1.83 -3.31 116.97 115.57 1jup h TYR 20 Ca 0.00 0.00 0.32 0.00 3.14 0.00 0.00 58.73 62.19 1jup h TYR 20 Cb 0.00 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.14 1jup h TYR 20 CO 0.00 0.00 0.66 -0.91 -1.64 0.00 0.00 178.16 176.27 1jup h ASN 21 N -0.78 0.47 0.23 -2.11 2.35 -1.90 -1.81 115.58 112.03 1jup h ASN 21 Ca 0.00 0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1jup h ASN 21 Cb 0.07 0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1jup h ASN 21 CO 0.00 -0.05 -0.05 0.00 -1.65 0.00 0.00 177.43 175.68 1jup n ALA 22 N -2.39 2.68 -2.78 -0.83 0.00 -1.26 -4.75 120.51 111.18 1jup n ALA 22 Ca 0.30 -0.26 -0.39 0.00 0.00 0.00 0.00 53.44 53.09 1jup n ALA 22 Cb 1.01 -1.38 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 1jup n ALA 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1jup s THR 23 N -2.29 4.75 0.35 0.00 2.01 -0.68 -4.91 115.64 114.87 1jup s THR 23 Ca 0.35 -0.46 -0.21 0.00 0.31 0.00 0.00 61.69 61.68 1jup s THR 23 Cb 0.21 -3.47 -0.10 0.00 0.01 0.00 0.00 72.50 69.15 1jup s THR 23 CO 0.43 -0.01 0.86 0.28 -0.69 0.00 0.00 174.62 175.49 1jup s THR 24 N 1.63 4.44 0.13 -0.82 -1.32 -1.26 -4.98 115.64 113.45 1jup s THR 24 Ca 0.04 1.41 -0.19 0.00 -1.21 0.00 0.00 61.69 61.74 1jup s THR 24 Cb -0.18 -3.74 -0.05 0.00 -1.51 0.00 0.00 72.50 67.02 1jup s THR 24 CO 0.07 -0.10 1.75 0.74 -2.21 0.00 0.00 174.62 174.88 1jup h THR 25 N 2.22 0.96 0.00 5.08 2.02 -1.99 -2.55 112.91 118.64 1jup h THR 25 Ca -0.48 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 66.61 1jup h THR 25 Cb 1.18 0.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.35 1jup h THR 25 CO 0.64 0.03 -0.12 1.23 0.37 0.00 0.00 175.52 177.67 1jup h GLY 26 N 0.19 0.00 1.95 2.16 0.00 -1.98 -0.79 103.07 104.59 1jup h GLY 26 Ca 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 1jup h GLY 26 CO -0.08 0.00 -0.49 -2.09 0.00 0.00 0.00 176.54 173.88 1jup h GLU 27 N 0.00 0.00 -0.08 4.80 4.81 -1.90 -2.85 114.58 119.35 1jup h GLU 27 Ca -0.00 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 1jup h GLU 27 Cb 0.26 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.65 1jup h GLU 27 CO 0.02 0.43 -0.58 0.82 -0.73 0.00 0.00 179.01 178.97 1jup h ILE 28 N 0.00 1.36 -0.20 2.32 2.04 -0.79 -3.29 117.51 118.96 1jup h ILE 28 Ca -0.01 -1.91 -0.19 0.00 1.00 0.00 0.00 64.86 63.75 1jup h ILE 28 Cb 1.35 2.26 0.00 0.00 -0.74 0.00 0.00 36.82 39.69 1jup h ILE 28 CO 0.06 0.57 -0.62 0.58 0.00 0.00 0.00 178.15 178.74 1jup h VAL 29 N 0.13 1.30 0.00 1.67 2.07 -1.31 -2.22 116.25 117.90 1jup h VAL 29 Ca -0.05 -1.85 0.00 0.00 0.82 0.00 0.00 66.70 65.62 1jup h VAL 29 Cb 1.23 1.81 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1jup h VAL 29 CO 0.12 0.59 0.00 2.29 0.02 0.00 0.00 177.57 180.59 1jup n LYS 30 N -3.96 0.19 -0.00 1.57 2.85 -1.08 -1.04 118.16 116.69 1jup n LYS 30 Ca -0.05 0.31 0.08 0.00 -1.05 0.00 0.00 58.31 57.61 1jup n LYS 30 Cb 0.66 -1.80 -0.12 0.00 -0.65 0.00 0.00 35.03 33.12 1jup n LYS 30 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1jup n LEU 31 N -2.16 0.30 0.02 -5.58 4.32 -1.23 -3.88 117.00 108.79 1jup n LEU 31 Ca 0.04 -0.20 0.12 0.00 -0.02 0.00 0.00 56.01 55.95 1jup n LEU 31 Cb 0.30 0.00 0.23 0.00 -1.62 0.00 0.00 43.42 42.34 1jup n LEU 31 CO 0.23 0.08 0.43 -0.24 -1.22 0.00 0.00 177.39 176.67 1jup n SER 32 N -1.81 0.54 0.00 -1.43 2.88 -0.84 -4.93 113.62 108.03 1jup n SER 32 Ca -0.01 -0.08 0.00 0.00 -1.33 0.00 0.00 58.87 57.45 1jup n SER 32 Cb 0.37 0.21 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1jup n SER 32 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1jup n GLU 33 N -1.72 -0.81 0.00 -1.46 -0.58 -0.21 -4.82 120.64 111.03 1jup n GLU 33 Ca 0.05 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.99 1jup n GLU 33 Cb 0.37 -4.45 0.00 0.00 -0.57 0.00 0.00 31.44 26.80 1jup n GLU 33 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1jup n SER 34 N -0.41 0.00 -4.29 1.62 3.41 -0.93 -5.00 113.62 108.02 1jup n SER 34 Ca 0.00 0.00 -0.25 0.00 -0.26 0.00 0.00 58.87 58.36 1jup n SER 34 Cb 0.20 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.02 1jup n SER 34 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jup s SER 35 N -1.00 2.66 0.57 4.04 1.04 -1.26 -4.62 113.70 115.13 1jup s SER 35 Ca 0.00 -0.64 0.26 0.00 0.48 0.00 0.00 55.95 56.06 1jup s SER 35 Cb 0.00 -0.18 1.53 0.00 0.10 0.00 0.00 66.02 67.47 1jup s SER 35 CO 0.00 0.12 2.06 0.50 0.98 0.00 0.00 173.24 176.90 1jup h LYS 36 N 4.34 0.00 0.10 4.02 3.64 -1.95 0.57 116.57 127.29 1jup h LYS 36 Ca -0.46 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 58.64 1jup h LYS 36 Cb 1.17 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 1jup h LYS 36 CO 0.41 0.00 -1.42 0.78 -2.27 0.00 0.00 179.45 176.95 1jup h GLY 37 N 0.00 0.24 1.85 5.01 0.00 -1.99 -3.26 103.07 104.92 1jup h GLY 37 Ca 0.13 -0.62 0.02 0.00 0.00 0.00 0.00 47.33 46.86 1jup h GLY 37 CO -0.00 0.55 0.05 -0.57 0.00 0.00 0.00 176.54 176.57 1jup h ASN 38 N 0.06 0.00 -0.08 0.19 -1.24 -1.31 -0.87 115.58 112.32 1jup h ASN 38 Ca -0.20 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.59 1jup h ASN 38 Cb 1.98 0.00 0.01 0.00 0.73 0.00 0.00 38.32 41.04 1jup h ASN 38 CO 0.16 0.00 -0.82 0.25 -1.29 0.00 0.00 177.43 175.74 1jup h LEU 39 N 0.00 0.90 -0.77 0.34 6.46 -1.48 -2.82 115.31 117.93 1jup h LEU 39 Ca 0.03 -0.61 0.00 0.00 -0.12 0.00 0.00 57.88 57.19 1jup h LEU 39 Cb 0.14 -0.27 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 1jup h LEU 39 CO -0.00 1.40 0.00 -1.22 -0.62 0.00 0.00 178.44 178.00 1jup n TYR 40 N -3.91 0.87 -0.06 1.25 4.01 -0.42 -1.45 117.16 117.45 1jup n TYR 40 Ca -0.08 0.34 -0.14 0.00 -0.16 0.00 0.00 57.90 57.87 1jup n TYR 40 Cb 0.77 -1.05 -0.12 0.00 -0.31 0.00 0.00 39.34 38.62 1jup n TYR 40 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1jup h TYR 41 N 0.00 -0.00 0.00 -0.72 3.20 -1.07 -3.39 116.97 114.99 1jup h TYR 41 Ca 0.00 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.79 1jup h TYR 41 Cb 0.36 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.62 1jup h TYR 41 CO 0.00 0.88 -1.34 0.72 -1.64 0.00 0.00 178.16 176.78 1jup n HIS 42 N -4.67 0.80 -4.02 -3.82 8.25 -1.17 -4.80 115.22 105.79 1jup n HIS 42 Ca -0.10 0.25 -0.26 0.00 -0.26 0.00 0.00 57.72 57.35 1jup n HIS 42 Cb 0.43 -0.95 -0.17 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 -3.19 1.39 0.06 4.41 0.40 -0.53 -5.06 117.98 115.45 1jup s PHE 43 Ca -0.03 -0.64 -0.15 0.00 -0.60 0.00 0.00 56.93 55.51 1jup s PHE 43 Cb 0.10 -1.15 -0.05 0.00 0.51 0.00 0.00 43.02 42.42 1jup s PHE 43 CO 0.82 -0.45 1.25 0.87 0.70 0.00 0.00 175.22 178.41 1jup h LYS 44 N 7.93 -0.21 -5.11 0.44 1.57 -1.80 -3.31 116.57 116.09 1jup h LYS 44 Ca -0.30 0.01 -0.46 0.00 -1.87 0.00 0.00 60.65 58.04 1jup h LYS 44 Cb 1.14 0.05 -0.14 0.00 0.08 0.00 0.00 32.23 33.36 1jup h LYS 44 CO 0.41 -0.14 -0.59 -0.08 -0.57 0.00 0.00 179.45 178.48 1jup s THR 45 N -4.22 0.93 0.11 -0.16 -1.32 -1.26 -4.61 115.64 105.11 1jup s THR 45 Ca -0.07 -2.00 -0.28 0.00 -1.21 0.00 0.00 61.69 58.13 1jup s THR 45 Cb 0.04 -2.68 -0.10 0.00 -1.51 0.00 0.00 72.50 68.24 1jup s THR 45 CO 0.28 0.00 1.63 0.50 -2.21 0.00 0.00 174.62 174.82 1jup h LYS 46 N 2.12 -0.53 0.00 7.08 3.64 -1.96 -0.67 116.57 126.25 1jup h LYS 46 Ca -0.39 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 1jup h LYS 46 Cb 1.25 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.19 1jup h LYS 46 CO 0.65 -0.36 0.00 -0.85 -2.27 0.00 0.00 179.45 176.63 1jup n GLU 47 N -5.40 0.05 -0.10 1.90 0.28 -1.26 -0.69 120.64 115.42 1jup n GLU 47 Ca -0.08 0.16 -0.13 0.00 -0.16 0.00 0.00 57.16 56.95 1jup n GLU 47 Cb 0.31 -1.50 -0.14 0.00 1.43 0.00 0.00 31.44 31.54 1jup n GLU 47 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1jup n ASN 48 N -1.17 0.88 0.48 -1.84 4.05 -0.33 -2.97 115.26 114.36 1jup n ASN 48 Ca 0.01 0.01 -0.20 0.00 0.45 0.00 0.00 54.58 54.85 1jup n ASN 48 Cb 0.01 0.31 -0.09 0.00 1.23 0.00 0.00 39.78 41.24 1jup n ASN 48 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 1jup h LEU 49 N 0.00 -1.04 -1.32 1.20 5.85 -0.13 -1.97 115.31 117.91 1jup h LEU 49 Ca -0.53 0.03 0.09 0.00 0.84 0.00 0.00 57.88 58.31 1jup h LEU 49 Cb 2.10 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 43.34 1jup h LEU 49 CO -0.00 -0.72 0.52 0.15 -0.34 0.00 0.00 178.44 178.05 1jup h PHE 50 N -1.27 0.82 0.00 1.25 3.04 -1.39 0.86 116.94 120.25 1jup h PHE 50 Ca -0.13 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.84 1jup h PHE 50 Cb 0.94 -0.27 -0.00 0.00 2.56 0.00 0.00 35.95 39.19 1jup h PHE 50 CO -0.00 0.40 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.57 1jup h LEU 51 N 0.78 0.00 0.09 0.59 3.38 -1.33 -1.50 115.31 117.32 1jup h LEU 51 Ca 0.36 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 58.06 1jup h LEU 51 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jup h LEU 51 CO -0.14 0.05 -1.40 -0.08 0.09 0.00 0.00 178.44 176.97 1jup h GLU 52 N 0.00 0.19 -0.62 1.13 4.81 -0.17 -3.01 114.58 116.91 1jup h GLU 52 Ca -0.00 -0.32 0.13 0.00 -0.13 0.00 0.00 59.36 59.03 1jup h GLU 52 Cb 0.12 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 29.52 1jup h GLU 52 CO 0.01 1.16 0.04 0.82 -0.73 0.00 0.00 179.01 180.30 1jup h ILE 53 N -0.42 0.53 0.00 2.32 2.04 -0.86 0.77 117.51 121.88 1jup h ILE 53 Ca -0.31 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1jup h ILE 53 Cb 1.68 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 1jup h ILE 53 CO 0.01 0.03 0.00 -0.11 0.00 0.00 0.00 178.15 178.08 1jup n LEU 54 N -5.24 0.00 0.00 1.44 7.94 -0.58 -1.54 117.00 119.01 1jup n LEU 54 Ca 0.09 0.50 0.11 0.00 -1.11 0.00 0.00 56.01 55.60 1jup n LEU 54 Cb 0.35 -0.50 -0.14 0.00 0.53 0.00 0.00 43.42 43.66 1jup n LEU 54 CO 0.12 -0.32 -0.52 -3.20 -1.11 0.00 0.00 177.39 172.36 1jup n ASN 55 N -1.50 0.29 0.01 1.96 2.85 0.25 -3.46 115.26 115.66 1jup n ASN 55 Ca 0.03 -0.21 -0.11 0.00 -0.11 0.00 0.00 54.58 54.18 1jup n ASN 55 Cb 0.12 1.63 -0.14 0.00 1.24 0.00 0.00 39.78 42.64 1jup n ASN 55 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1jup h ILE 56 N 0.00 1.01 -0.05 -1.44 1.08 -0.08 -3.22 117.51 114.80 1jup h ILE 56 Ca 0.00 -2.79 -0.16 0.00 -0.39 0.00 0.00 64.86 61.52 1jup h ILE 56 Cb 0.88 2.56 0.01 0.00 -3.07 0.00 0.00 36.82 37.19 1jup h ILE 56 CO 0.00 0.67 -0.59 -0.33 -0.69 0.00 0.00 178.15 177.21 1jup h GLU 57 N 0.02 0.49 -0.02 2.37 4.39 -1.59 -1.59 114.58 118.66 1jup h GLU 57 Ca -0.25 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.00 1jup h GLU 57 Cb 1.98 0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 30.74 1jup h GLU 57 CO 0.10 1.10 0.15 1.49 -1.16 0.00 0.00 179.01 180.69 1jup h GLU 58 N 0.06 0.00 0.00 2.33 4.22 -1.68 -1.36 114.58 118.15 1jup h GLU 58 Ca -0.06 0.00 -0.32 0.00 0.08 0.00 0.00 59.36 59.06 1jup h GLU 58 Cb 1.26 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.45 1jup h GLU 58 CO 0.12 0.00 -2.21 0.43 -2.18 0.00 0.00 179.01 175.16 1jup n SER 59 N -3.08 1.98 -0.19 1.04 7.64 -1.13 -3.75 113.62 116.12 1jup n SER 59 Ca -0.02 -0.09 -0.04 0.00 1.01 0.00 0.00 58.87 59.72 1jup n SER 59 Cb 0.22 -0.05 0.14 0.00 -1.01 0.00 0.00 64.21 63.50 1jup n SER 59 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 1jup h LYS 60 N 0.00 0.97 0.00 1.43 1.57 -1.01 -0.23 116.57 119.30 1jup h LYS 60 Ca -0.48 -0.20 0.00 0.00 -1.87 0.00 0.00 60.65 58.10 1jup h LYS 60 Cb 1.82 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 33.98 1jup h LYS 60 CO -0.05 0.85 0.00 2.35 -0.57 0.00 0.00 179.45 182.03 1jup h TRP 61 N 0.93 0.00 0.11 -1.35 2.91 -1.45 -1.10 115.95 115.99 1jup h TRP 61 Ca 0.20 0.00 -0.31 0.00 1.13 0.00 0.00 58.89 59.91 1jup h TRP 61 Cb 0.30 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 28.94 1jup h TRP 61 CO 0.02 0.00 -1.62 1.96 -1.03 0.00 0.00 178.44 177.77 1jup h GLN 62 N 0.00 0.22 0.11 2.65 1.08 -1.32 -3.15 115.11 114.71 1jup h GLN 62 Ca 0.00 -0.38 -0.01 0.00 -1.45 0.00 0.00 58.65 56.81 1jup h GLN 62 Cb 0.51 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 1jup h GLN 62 CO 0.00 1.06 -0.05 1.49 -0.95 0.00 0.00 178.83 180.37 1jup h GLU 63 N 0.06 -0.15 -0.87 1.46 4.81 -0.88 -2.57 114.58 116.44 1jup h GLU 63 Ca -0.27 0.01 0.19 0.00 -0.13 0.00 0.00 59.36 59.16 1jup h GLU 63 Cb 2.02 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 31.32 1jup h GLU 63 CO 0.14 0.26 0.40 0.37 -0.73 0.00 0.00 179.01 179.45 1jup h GLN 64 N -0.60 0.45 -0.22 1.92 4.15 -1.35 0.27 115.11 119.72 1jup h GLN 64 Ca -0.02 -0.03 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 1jup h GLN 64 Cb 0.47 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1jup h GLN 64 CO 0.03 0.30 -0.17 2.35 -1.93 0.00 0.00 178.83 179.40 1jup h TRP 65 N 0.47 0.42 0.19 3.99 2.91 -1.49 -2.38 115.95 120.05 1jup h TRP 65 Ca 0.52 -0.07 -0.01 0.00 1.13 0.00 0.00 58.89 60.46 1jup h TRP 65 Cb 0.91 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 29.45 1jup h TRP 65 CO -0.13 0.55 -0.09 -0.22 -1.03 0.00 0.00 178.44 177.52 1jup h LYS 66 N 0.36 -0.24 0.00 2.65 1.63 -0.08 0.87 116.57 121.75 1jup h LYS 66 Ca 0.06 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.88 1jup h LYS 66 Cb 0.52 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.20 1jup h LYS 66 CO 0.03 0.10 0.00 0.87 -3.45 0.00 0.00 179.45 177.01 1jup h LYS 67 N -0.63 0.00 0.00 1.90 1.57 -1.30 -3.12 116.57 114.99 1jup h LYS 67 Ca -0.03 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.63 1jup h LYS 67 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.75 1jup h LYS 67 CO 0.04 0.00 -1.67 0.39 -0.57 0.00 0.00 179.45 177.64 1jup n GLU 68 N -2.74 1.47 0.00 3.15 1.02 -0.90 -4.55 120.64 118.08 1jup n GLU 68 Ca -0.02 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1jup n GLU 68 Cb 0.10 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.24 1jup n GLU 68 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1jup n GLN 69 N -2.21 0.00 -0.12 3.49 10.64 0.29 -2.85 117.38 126.61 1jup n GLN 69 Ca -0.12 0.30 -0.11 0.00 -1.83 0.00 0.00 57.00 55.24 1jup n GLN 69 Cb 0.64 -1.51 -0.02 0.00 -0.86 0.00 0.00 30.24 28.48 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 1.28 0.00 -0.39 1.08 -1.80 -2.68 117.51 115.00 1jup h ILE 70 Ca 0.00 -1.14 0.00 0.00 -0.39 0.00 0.00 64.86 63.33 1jup h ILE 70 Cb 0.03 1.28 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 1jup h ILE 70 CO 0.00 0.37 0.13 0.29 -0.69 0.00 0.00 178.15 178.25 1jup n LYS 71 N -4.41 0.00 -3.75 2.37 4.01 -1.13 -3.90 118.16 111.35 1jup n LYS 71 Ca -0.02 0.21 -0.36 0.00 -0.51 0.00 0.00 58.31 57.62 1jup n LYS 71 Cb 0.34 -1.63 -0.11 0.00 -0.51 0.00 0.00 35.03 33.12 1jup n LYS 71 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1jup s ALA 72 N -2.29 3.28 0.10 7.82 0.00 -1.01 -5.00 121.76 124.67 1jup s ALA 72 Ca 0.00 -2.73 -0.25 0.00 0.00 0.00 0.00 51.96 48.98 1jup s ALA 72 Cb 0.00 -2.50 -0.11 0.00 0.00 0.00 0.00 23.12 20.51 1jup s ALA 72 CO 0.00 -1.89 1.69 0.87 0.00 0.00 0.00 175.76 176.43 1jup h LYS 73 N 7.80 -0.25 -7.48 0.00 1.57 -1.84 -3.42 116.57 112.96 1jup h LYS 73 Ca -0.10 0.02 -0.46 0.00 -1.87 0.00 0.00 60.65 58.23 1jup h LYS 73 Cb 1.02 0.06 0.13 0.00 0.08 0.00 0.00 32.23 33.52 1jup h LYS 73 CO 0.71 -0.16 0.27 0.95 -0.57 0.00 0.00 179.45 180.64 1jup s THR 74 N -6.14 2.03 -0.09 -0.16 -4.23 -1.26 -5.00 115.64 100.78 1jup s THR 74 Ca -0.14 -0.31 0.15 0.00 -1.18 0.00 0.00 61.69 60.20 1jup s THR 74 Cb 0.07 -2.72 -0.21 0.00 1.34 0.00 0.00 72.50 70.98 1jup s THR 74 CO 0.66 0.00 0.57 0.59 -0.54 0.00 0.00 174.62 175.90 1jup n ASN 75 N -3.33 0.66 -0.25 3.99 5.03 -1.26 -2.74 115.26 117.36 1jup n ASN 75 Ca 0.16 0.31 0.05 0.00 0.87 0.00 0.00 54.58 55.97 1jup n ASN 75 Cb 0.60 0.28 0.30 0.00 -1.02 0.00 0.00 39.78 39.94 1jup n ASN 75 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.26 175.34 1jup h ARG 76 N 0.00 0.87 0.03 3.52 2.43 -1.95 0.80 114.38 120.08 1jup h ARG 76 Ca -0.30 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.67 1jup h ARG 76 Cb 1.92 -0.20 0.01 0.00 -0.42 0.00 0.00 29.97 31.29 1jup h ARG 76 CO 0.06 0.57 -0.59 0.93 -1.51 0.00 0.00 179.97 179.44 1jup h GLU 77 N 0.89 0.35 -0.82 0.20 5.08 -1.92 -2.64 114.58 115.71 1jup h GLU 77 Ca 0.36 -0.41 0.14 0.00 -1.00 0.00 0.00 59.36 58.44 1jup h GLU 77 Cb 0.24 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 29.53 1jup h GLU 77 CO -0.13 1.11 0.41 0.87 -1.00 0.00 0.00 179.01 180.27 1jup h LYS 78 N -0.23 0.59 0.29 2.33 1.57 -1.22 0.58 116.57 120.49 1jup h LYS 78 Ca -0.08 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1jup h LYS 78 Cb 1.33 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.50 1jup h LYS 78 CO 0.11 0.39 -0.22 0.35 -0.57 0.00 0.00 179.45 179.51 1jup h PHE 79 N 0.61 -0.61 -0.93 -1.35 3.57 -0.87 0.40 116.94 117.76 1jup h PHE 79 Ca 0.44 -0.00 0.18 0.00 3.53 0.00 0.00 57.97 62.13 1jup h PHE 79 Cb 0.61 0.23 -0.17 0.00 2.79 0.00 0.00 35.95 39.40 1jup h PHE 79 CO -0.10 -0.32 -0.24 1.88 -2.23 0.00 0.00 178.31 177.30 1jup h TYR 80 N -0.50 -0.53 -0.06 0.41 0.05 -0.91 -2.05 116.97 113.37 1jup h TYR 80 Ca -0.04 0.08 -0.01 0.00 0.05 0.00 0.00 58.73 58.81 1jup h TYR 80 Cb 0.41 0.38 -0.00 0.00 1.01 0.00 0.00 36.73 38.53 1jup h TYR 80 CO -0.07 -0.40 -0.02 1.25 -1.05 0.00 0.00 178.16 177.88 1jup h LEU 81 N -0.00 0.12 -0.74 3.88 5.85 0.36 -3.03 115.31 121.75 1jup h LEU 81 Ca 0.44 -0.37 0.12 0.00 0.84 0.00 0.00 57.88 58.91 1jup h LEU 81 Cb 0.67 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.58 1jup h LEU 81 CO -0.96 0.47 0.34 0.22 -0.34 0.00 0.00 178.44 178.17 1jup h TYR 82 N -0.22 0.60 -0.29 1.25 3.20 0.49 0.96 116.97 122.96 1jup h TYR 82 Ca 0.02 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.86 1jup h TYR 82 Cb 0.41 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.51 1jup h TYR 82 CO 0.05 0.15 -0.08 -0.91 -1.64 0.00 0.00 178.16 175.73 1jup h ASN 83 N 0.53 0.44 0.01 -2.11 -0.26 -1.49 -1.90 115.58 110.81 1jup h ASN 83 Ca 0.39 -0.10 -0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1jup h ASN 83 Cb 0.51 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.65 1jup h ASN 83 CO -0.34 0.57 -0.01 -0.33 -1.06 0.00 0.00 177.43 176.27 1jup h GLU 84 N 0.44 -0.02 -0.11 0.81 5.08 -0.98 -3.10 114.58 116.71 1jup h GLU 84 Ca 0.09 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 1jup h GLU 84 Cb 0.41 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 1jup h GLU 84 CO 0.02 0.57 0.11 -0.07 -1.00 0.00 0.00 179.01 178.65 1jup h LEU 85 N -0.62 0.00 -1.74 1.33 3.38 -0.82 -1.61 115.31 115.22 1jup h LEU 85 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1jup h LEU 85 Cb 0.60 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jup h LEU 85 CO 0.00 0.00 -0.06 0.28 0.09 0.00 0.00 178.44 178.76 1jup h SER 86 N 0.00 0.00 1.15 -0.43 0.02 -1.26 -1.22 113.55 111.81 1jup h SER 86 Ca 0.05 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 1jup h SER 86 Cb 0.28 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 1jup h SER 86 CO -0.00 0.06 -0.88 -0.07 -1.14 0.00 0.00 176.83 174.79 1jup h LEU 87 N 0.00 0.00 0.00 5.07 3.38 -1.38 -3.39 115.31 119.00 1jup h LEU 87 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.72 1jup h LEU 87 Cb 0.43 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.14 1jup h LEU 87 CO 0.01 0.26 -1.94 0.35 0.09 0.00 0.00 178.44 177.21 1jup n THR 88 N -2.90 0.94 -1.60 0.22 -2.24 -1.09 -5.02 114.28 102.59 1jup n THR 88 Ca -0.02 -0.55 -0.45 0.00 -2.27 0.00 0.00 64.05 60.76 1jup n THR 88 Cb 0.67 -0.70 -0.02 0.00 -2.10 0.00 0.00 70.33 68.18 1jup n THR 88 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1jup n THR 89 N -2.57 1.75 0.04 4.28 5.66 -0.48 -4.86 114.28 118.10 1jup n THR 89 Ca -0.23 -0.44 0.05 0.00 -3.05 0.00 0.00 64.05 60.38 1jup n THR 89 Cb 0.93 -1.02 0.24 0.00 -1.55 0.00 0.00 70.33 68.92 1jup n THR 89 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1jup n GLU 90 N 0.97 3.01 -4.41 1.09 0.00 -1.26 -4.86 120.64 115.18 1jup n GLU 90 Ca 0.10 -1.87 -0.31 0.00 0.00 0.00 0.00 57.16 55.09 1jup n GLU 90 Cb 0.31 -1.79 -0.10 0.00 0.00 0.00 0.00 31.44 29.86 1jup n GLU 90 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.13 177.84 1jup s TYR 91 N -1.87 2.79 0.00 -1.84 4.12 -1.26 -4.90 117.35 114.39 1jup s TYR 91 Ca 0.33 -0.11 0.00 0.00 0.02 0.00 0.00 57.07 57.31 1jup s TYR 91 Cb 0.23 -1.53 0.00 0.00 -1.52 0.00 0.00 41.96 39.14 1jup s TYR 91 CO 0.13 0.37 0.00 0.98 0.02 0.00 0.00 175.55 177.06 1jup n TYR 92 N 1.24 0.00 -0.36 2.71 4.19 -1.26 -4.34 117.16 119.34 1jup n TYR 92 Ca -0.15 0.00 0.36 0.00 3.31 0.00 0.00 57.90 61.42 1jup n TYR 92 Cb 0.52 0.00 0.73 0.00 0.49 0.00 0.00 39.34 41.09 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 0.08 0.00 2.98 0.05 -1.91 0.06 116.97 118.23 1jup h TYR 93 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1jup h TYR 93 Cb 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 37.72 1jup h TYR 93 CO 0.00 -0.00 0.00 -2.30 -1.05 0.00 0.00 178.16 174.81 1jup n PRO 94 N -4.22 0.03 -0.44 4.88 -0.02 -1.26 -2.33 135.00 131.64 1jup n PRO 94 Ca 0.27 0.19 0.10 0.00 -2.02 0.00 0.00 63.50 62.05 1jup n PRO 94 Cb 1.28 -1.50 0.32 0.00 -0.02 0.00 0.00 33.50 33.58 1jup n PRO 94 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jup n LEU 95 N -1.47 4.04 0.03 2.45 4.77 0.01 -4.36 117.00 122.46 1jup n LEU 95 Ca 0.05 -2.03 0.04 0.00 -0.03 0.00 0.00 56.01 54.04 1jup n LEU 95 Cb 0.20 -0.50 0.44 0.00 -2.33 0.00 0.00 43.42 41.22 1jup n LEU 95 CO 0.16 0.88 1.14 -0.61 -1.33 0.00 0.00 177.39 177.63 1jup h GLN 96 N 4.03 0.48 -0.42 3.23 5.75 -1.61 0.50 115.11 127.08 1jup h GLN 96 Ca 0.00 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.38 1jup h GLN 96 Cb 1.10 -0.11 -0.02 0.00 1.07 0.00 0.00 27.48 29.53 1jup h GLN 96 CO 0.08 0.33 -0.10 -0.97 -2.65 0.00 0.00 178.83 175.52 1jup h ASN 97 N 0.50 0.72 0.44 -0.69 -0.73 -1.84 -2.61 115.58 111.37 1jup h ASN 97 Ca 0.13 -0.21 -0.31 0.00 1.87 0.00 0.00 56.30 57.79 1jup h ASN 97 Cb -0.04 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.34 1jup h ASN 97 CO -0.03 0.85 -1.59 0.00 -0.37 0.00 0.00 177.43 176.30 1jup h ALA 98 N 1.22 0.37 -0.90 1.57 0.00 -1.67 -3.05 119.26 116.80 1jup h ALA 98 Ca 0.12 -1.19 0.18 0.00 0.00 0.00 0.00 54.91 54.01 1jup h ALA 98 Cb 0.56 0.34 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1jup h ALA 98 CO 0.03 1.23 0.58 0.82 0.00 0.00 0.00 179.25 181.92 1jup h ILE 99 N 0.06 0.75 0.30 0.00 2.04 0.04 0.15 117.51 120.84 1jup h ILE 99 Ca -0.26 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.39 1jup h ILE 99 Cb 2.01 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 38.23 1jup h ILE 99 CO 0.14 0.10 -0.15 0.40 0.00 0.00 0.00 178.15 178.64 1jup h ILE 100 N 0.55 0.17 -0.90 -0.67 2.04 -1.54 -2.66 117.51 114.50 1jup h ILE 100 Ca 0.47 -0.76 0.18 0.00 1.00 0.00 0.00 64.86 65.74 1jup h ILE 100 Cb 0.95 0.28 -0.11 0.00 -0.74 0.00 0.00 36.82 37.20 1jup h ILE 100 CO -0.21 0.04 0.47 -0.33 0.00 0.00 0.00 178.15 178.13 1jup h GLU 101 N -1.07 0.58 -0.15 2.37 5.08 -1.32 0.95 114.58 121.02 1jup h GLU 101 Ca -0.04 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1jup h GLU 101 Cb 0.38 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1jup h GLU 101 CO 0.07 0.39 -0.33 0.35 -1.00 0.00 0.00 179.01 178.48 1jup h PHE 102 N 0.60 0.35 0.07 4.33 3.04 -0.82 -3.15 116.94 121.36 1jup h PHE 102 Ca 0.52 -0.08 -0.15 0.00 3.98 0.00 0.00 57.97 62.24 1jup h PHE 102 Cb 0.83 -0.08 0.02 0.00 2.56 0.00 0.00 35.95 39.27 1jup h PHE 102 CO -0.08 0.61 -0.63 -0.92 -2.02 0.00 0.00 178.31 175.27 1jup h TYR 103 N 0.27 0.50 0.00 0.41 5.03 -0.66 -2.63 116.97 119.89 1jup h TYR 103 Ca 0.03 -0.32 0.00 0.00 2.58 0.00 0.00 58.73 61.02 1jup h TYR 103 Cb 0.72 -0.04 0.00 0.00 1.55 0.00 0.00 36.73 38.96 1jup h TYR 103 CO 0.02 1.19 0.00 0.25 -1.32 0.00 0.00 178.16 178.30 1jup n THR 104 N -4.23 0.21 0.00 1.81 -2.24 0.14 -2.03 114.28 107.94 1jup n THR 104 Ca -0.12 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1jup n THR 104 Cb 0.71 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1jup n THR 104 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 1jup n GLU 105 N 0.45 0.00 0.00 -0.78 2.13 -1.20 -4.86 120.64 116.39 1jup n GLU 105 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1jup n GLU 105 Cb 0.18 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.89 1jup n GLU 105 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1jup n TYR 106 N -1.07 0.00 0.95 4.31 4.01 -1.00 -3.45 117.16 120.92 1jup n TYR 106 Ca 0.00 -0.14 0.12 0.00 -0.16 0.00 0.00 57.90 57.72 1jup n TYR 106 Cb 0.00 -0.12 0.25 0.00 -0.31 0.00 0.00 39.34 39.16 1jup n TYR 106 CO 0.00 0.00 0.00 2.48 -0.46 0.00 0.00 176.86 178.88 1jup n TYR 107 N 0.47 0.06 0.05 -0.72 4.11 -0.86 -3.59 117.16 116.67 1jup n TYR 107 Ca 0.00 0.02 -0.18 0.00 -0.00 0.00 0.00 57.90 57.73 1jup n TYR 107 Cb 0.21 -0.30 -0.09 0.00 -0.00 0.00 0.00 39.34 39.16 1jup n TYR 107 CO 0.00 0.00 0.00 0.87 -0.00 0.00 0.00 176.86 177.73 1jup h LYS 108 N 0.00 0.62 -6.86 -3.48 6.56 -1.84 -3.45 116.57 108.12 1jup h LYS 108 Ca 0.00 -0.67 -0.50 0.00 -1.06 0.00 0.00 60.65 58.42 1jup h LYS 108 Cb 0.53 0.19 0.03 0.00 -0.57 0.00 0.00 32.23 32.40 1jup h LYS 108 CO 0.00 1.26 0.49 0.95 -2.06 0.00 0.00 179.45 180.09 1jup s THR 109 N -3.31 3.38 -0.58 -0.16 -4.23 -1.24 -4.97 115.64 104.53 1jup s THR 109 Ca -0.09 1.29 0.24 0.00 -1.18 0.00 0.00 61.69 61.96 1jup s THR 109 Cb 0.07 -3.78 0.16 0.00 1.34 0.00 0.00 72.50 70.29 1jup s THR 109 CO 0.91 0.23 1.46 0.78 -0.54 0.00 0.00 174.62 177.46 1jup h ASN 110 N 3.33 0.00 0.37 3.99 4.21 -1.87 -2.29 115.58 123.32 1jup h ASN 110 Ca -0.48 -0.09 -0.02 0.00 1.21 0.00 0.00 56.30 56.93 1jup h ASN 110 Cb 1.22 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.42 1jup h ASN 110 CO 0.65 0.04 -0.18 0.28 -1.29 0.00 0.00 177.43 176.94 1jup h SER 111 N 0.00 -0.42 -0.13 5.81 0.02 -1.93 -3.27 113.55 113.63 1jup h SER 111 Ca 0.00 -0.11 -0.14 0.00 -0.84 0.00 0.00 61.79 60.70 1jup h SER 111 Cb 0.82 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.47 1jup h SER 111 CO 0.00 0.02 -0.46 0.40 -1.14 0.00 0.00 176.83 175.65 1jup h ILE 112 N -1.01 1.35 0.00 3.27 1.08 -1.82 -3.25 117.51 117.13 1jup h ILE 112 Ca -0.05 -1.75 0.00 0.00 -0.39 0.00 0.00 64.86 62.67 1jup h ILE 112 Cb 0.51 2.09 0.00 0.00 -3.07 0.00 0.00 36.82 36.35 1jup h ILE 112 CO 0.08 0.53 0.00 -3.20 -0.69 0.00 0.00 178.15 174.87 1jup n ASN 113 N -4.25 0.29 -0.03 1.72 5.15 -0.86 -1.88 115.26 115.40 1jup n ASN 113 Ca -0.07 -1.30 -0.03 0.00 -0.60 0.00 0.00 54.58 52.57 1jup n ASN 113 Cb 0.57 -0.15 -0.05 0.00 -0.53 0.00 0.00 39.78 39.62 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 -0.20 2.80 0.10 1.20 2.13 -1.23 -4.23 120.64 121.23 1jup n GLU 114 Ca 0.00 -0.00 -0.05 0.00 0.66 0.00 0.00 57.16 57.77 1jup n GLU 114 Cb 0.07 -1.17 0.07 0.00 0.27 0.00 0.00 31.44 30.69 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 0.00 0.10 0.36 5.31 1.79 -1.45 -2.69 116.57 119.98 1jup h LYS 115 Ca -0.18 -0.09 -0.02 0.00 -2.18 0.00 0.00 60.65 58.18 1jup h LYS 115 Cb 1.40 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1jup h LYS 115 CO 0.01 0.79 -0.17 0.52 -1.08 0.00 0.00 179.45 179.52 1jup h MET 116 N 0.07 -0.46 -1.09 3.15 2.86 -1.69 -1.15 114.93 116.61 1jup h MET 116 Ca -0.02 0.03 0.31 0.00 -2.06 0.00 0.00 59.70 57.97 1jup h MET 116 Cb 1.30 0.10 -0.05 0.00 0.06 0.00 0.00 31.60 33.01 1jup h MET 116 CO 0.10 -0.19 0.78 -0.91 1.06 0.00 0.00 176.91 177.75 1jup h ASN 117 N -0.67 0.04 0.47 1.22 4.21 -1.72 0.70 115.58 119.82 1jup h ASN 117 Ca -0.05 0.01 -0.02 0.00 1.21 0.00 0.00 56.30 57.45 1jup h ASN 117 Cb 0.48 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 1jup h ASN 117 CO 0.08 0.01 -0.22 0.50 -1.29 0.00 0.00 177.43 176.50 1jup h LYS 118 N 0.03 -0.60 0.11 0.81 3.64 -0.91 -3.03 116.57 116.63 1jup h LYS 118 Ca 0.53 0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.94 1jup h LYS 118 Cb 2.05 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 34.01 1jup h LYS 118 CO -0.03 -0.30 -0.05 -0.07 -2.27 0.00 0.00 179.45 176.72 1jup h LEU 119 N -0.89 -0.13 0.00 5.20 4.07 0.55 -3.02 115.31 121.09 1jup h LEU 119 Ca -0.06 -0.23 0.00 0.00 0.08 0.00 0.00 57.88 57.66 1jup h LEU 119 Cb 0.58 0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.35 1jup h LEU 119 CO 0.11 0.17 0.00 -0.62 -1.08 0.00 0.00 178.44 177.01 1jup n GLU 120 N -5.03 0.00 -0.33 1.13 -0.58 0.21 0.94 120.64 116.98 1jup n GLU 120 Ca -0.09 0.40 0.04 0.00 -0.42 0.00 0.00 57.16 57.10 1jup n GLU 120 Cb 0.19 -0.62 0.23 0.00 -0.57 0.00 0.00 31.44 30.67 1jup n GLU 120 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 1jup h ASN 121 N 0.00 0.94 -0.63 1.62 -0.26 -1.62 -0.14 115.58 115.49 1jup h ASN 121 Ca 0.00 0.02 0.08 0.00 -0.56 0.00 0.00 56.30 55.84 1jup h ASN 121 Cb 0.00 -0.18 -0.07 0.00 -1.06 0.00 0.00 38.32 37.01 1jup h ASN 121 CO 0.00 0.58 0.29 0.50 -1.06 0.00 0.00 177.43 177.74 1jup h LYS 122 N 1.06 0.49 0.54 0.81 3.64 0.71 0.40 116.57 124.22 1jup h LYS 122 Ca 0.42 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1jup h LYS 122 Cb 0.26 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1jup h LYS 122 CO -0.18 0.33 -0.26 -0.92 -2.27 0.00 0.00 179.45 176.15 1jup h TYR 123 N 0.51 -0.67 -0.01 1.91 3.20 0.10 -3.24 116.97 118.77 1jup h TYR 123 Ca 0.31 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1jup h TYR 123 Cb 0.33 0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.82 1jup h TYR 123 CO -0.13 -0.42 0.03 0.82 -1.64 0.00 0.00 178.16 176.83 1jup h ILE 124 N -0.77 0.18 -0.94 1.81 2.04 -1.14 -2.85 117.51 115.83 1jup h ILE 124 Ca -0.07 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.87 1jup h ILE 124 Cb 0.55 0.97 -0.07 0.00 -0.74 0.00 0.00 36.82 37.54 1jup h ILE 124 CO 0.12 0.00 0.61 -0.78 0.00 0.00 0.00 178.15 178.10 1jup h ASP 125 N 0.00 0.91 -0.74 1.72 -0.00 -0.94 -0.29 116.42 117.08 1jup h ASP 125 Ca 0.01 0.02 0.17 0.00 -0.00 0.00 0.00 57.03 57.22 1jup h ASP 125 Cb 0.07 -0.17 -0.13 0.00 -0.00 0.00 0.00 39.33 39.10 1jup h ASP 125 CO -0.00 0.55 -0.02 0.00 -0.00 0.00 0.00 179.24 179.77 1jup h ALA 126 N 1.52 0.74 -0.22 -0.78 0.00 -1.66 0.71 119.26 119.57 1jup h ALA 126 Ca 0.43 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 55.40 1jup h ALA 126 Cb 0.32 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1jup h ALA 126 CO -0.18 -0.42 -0.58 1.88 0.00 0.00 0.00 179.25 179.94 1jup h TYR 127 N 0.09 0.88 -0.04 0.00 0.05 -1.47 -3.05 116.97 113.42 1jup h TYR 127 Ca 0.40 -0.32 0.03 0.00 0.05 0.00 0.00 58.73 58.89 1jup h TYR 127 Cb 0.69 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.23 1jup h TYR 127 CO -0.44 1.10 -0.21 1.25 -1.05 0.00 0.00 178.16 178.82 1jup h HIS 128 N 0.52 -0.55 -0.27 4.88 2.76 0.18 -1.76 115.15 120.91 1jup h HIS 128 Ca 0.00 0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.25 1jup h HIS 128 Cb 1.16 0.25 -0.05 0.00 1.55 0.00 0.00 27.41 30.32 1jup h HIS 128 CO 0.06 -0.29 -0.05 0.28 -1.30 0.00 0.00 177.93 176.62 1jup h VAL 129 N -0.31 0.75 -0.69 5.26 2.07 -0.09 -1.17 116.25 122.06 1jup h VAL 129 Ca 0.07 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.64 1jup h VAL 129 Cb 0.41 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 1jup h VAL 129 CO -0.22 0.00 0.45 0.40 0.02 0.00 0.00 177.57 178.23 1jup h ILE 130 N 0.01 1.04 0.18 4.57 2.04 -1.38 0.38 117.51 124.35 1jup h ILE 130 Ca 0.13 -0.25 -0.32 0.00 1.00 0.00 0.00 64.86 65.42 1jup h ILE 130 Cb 0.19 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1jup h ILE 130 CO -0.26 0.14 -1.48 -0.26 0.00 0.00 0.00 178.15 176.28 1jup h PHE 131 N 0.74 0.69 0.45 1.37 0.04 -0.78 -1.81 116.94 117.63 1jup h PHE 131 Ca 0.29 -0.50 -0.02 0.00 2.80 0.00 0.00 57.97 60.54 1jup h PHE 131 Cb 0.21 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.34 1jup h PHE 131 CO -0.00 1.47 -0.21 -0.22 -0.60 0.00 0.00 178.31 178.74 1jup h LYS 132 N 0.10 -0.58 -0.99 1.51 3.64 -1.06 -2.06 116.57 117.13 1jup h LYS 132 Ca -0.24 0.04 0.26 0.00 -1.27 0.00 0.00 60.65 59.44 1jup h LYS 132 Cb 2.07 0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 33.96 1jup h LYS 132 CO 0.21 -0.27 0.67 0.93 -2.27 0.00 0.00 179.45 178.73 1jup h GLU 133 N -0.94 0.21 0.00 1.90 4.39 -1.05 1.26 114.58 120.35 1jup h GLU 133 Ca -0.06 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.63 1jup h GLU 133 Cb 0.57 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 1jup h GLU 133 CO 0.10 0.14 0.00 0.78 -1.16 0.00 0.00 179.01 178.87 1jup h GLY 134 N 0.22 0.00 0.28 -3.84 0.00 -0.68 -1.25 103.07 97.80 1jup h GLY 134 Ca 0.51 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.58 1jup h GLY 134 CO -0.13 0.00 -2.07 0.70 0.00 0.00 0.00 176.54 175.03 1jup n ASN 135 N -2.60 0.25 0.04 0.19 3.02 0.42 -1.21 115.26 115.37 1jup n ASN 135 Ca 0.01 0.11 -0.12 0.00 -0.03 0.00 0.00 54.58 54.55 1jup n ASN 135 Cb 0.26 0.91 -0.09 0.00 -0.61 0.00 0.00 39.78 40.24 1jup n ASN 135 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1jup h LEU 136 N 0.00 -0.12 0.00 3.41 3.38 -0.86 -2.47 115.31 118.65 1jup h LEU 136 Ca -0.36 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.21 1jup h LEU 136 Cb 1.89 0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.67 1jup h LEU 136 CO 0.03 0.37 0.00 0.59 0.09 0.00 0.00 178.44 179.53 1jup n ASN 137 N -4.92 0.00 -3.96 -0.43 4.13 -0.51 -4.92 115.26 104.66 1jup n ASN 137 Ca -0.08 -1.66 -0.41 0.00 1.68 0.00 0.00 54.58 54.11 1jup n ASN 137 Cb 0.26 0.00 0.02 0.00 -1.54 0.00 0.00 39.78 38.52 1jup n ASN 137 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1jup n GLY 138 N 0.56 -0.85 0.08 7.41 0.00 -0.93 -4.86 105.19 106.60 1jup n GLY 138 Ca 0.06 0.36 0.03 0.00 0.00 0.00 0.00 46.02 46.48 1jup n GLY 138 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1jup n GLU 139 N -4.76 0.64 -3.83 1.61 1.02 -0.35 -4.98 120.64 109.99 1jup n GLU 139 Ca -0.12 0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 57.02 1jup n GLU 139 Cb 0.58 -1.70 0.00 0.00 -0.02 0.00 0.00 31.44 30.30 1jup n GLU 139 CO 0.00 0.00 0.00 1.67 1.18 0.00 0.00 177.13 179.98 1jup s TRP 140 N -3.09 -0.02 -0.13 -0.32 -2.14 -1.17 -5.06 118.94 107.01 1jup s TRP 140 Ca -0.05 -0.50 -0.04 0.00 2.66 0.00 0.00 56.10 58.17 1jup s TRP 140 Cb 0.10 0.75 0.06 0.00 -3.10 0.00 0.00 33.47 31.28 1jup s TRP 140 CO 0.83 -1.28 0.22 0.45 -2.66 0.00 0.00 176.95 174.51 1jup s SER 141 N -3.04 0.64 -0.03 -2.66 0.15 -1.26 -4.17 113.70 103.33 1jup s SER 141 Ca 0.14 0.38 0.01 0.00 0.70 0.00 0.00 55.95 57.18 1jup s SER 141 Cb -0.05 0.51 0.02 0.00 -1.71 0.00 0.00 66.02 64.80 1jup s SER 141 CO 0.08 -0.26 -0.01 0.27 1.20 0.00 0.00 173.24 174.53 1jup s ILE 142 N 2.36 0.20 -0.05 6.45 -4.36 -1.26 -4.39 121.20 120.15 1jup s ILE 142 Ca 0.03 0.05 -0.23 0.00 -0.26 0.00 0.00 60.65 60.25 1jup s ILE 142 Cb -0.13 -0.28 -0.17 0.00 1.25 0.00 0.00 42.46 43.13 1jup s ILE 142 CO -0.08 0.14 0.94 0.78 0.24 0.00 0.00 174.94 176.96 1jup h ASN 143 N 7.15 -0.13 -2.60 4.36 4.21 -2.01 -3.35 115.58 123.20 1jup h ASN 143 Ca -0.42 -0.43 -0.75 0.00 1.21 0.00 0.00 56.30 55.92 1jup h ASN 143 Cb 1.14 0.03 -0.20 0.00 -1.12 0.00 0.00 38.32 38.17 1jup h ASN 143 CO 0.48 0.44 1.02 -0.62 -1.29 0.00 0.00 177.43 177.46 1jup s ASP 144 N -5.58 7.05 0.61 5.81 3.68 -1.26 -4.69 116.67 122.29 1jup s ASP 144 Ca -0.14 -2.99 0.41 0.00 2.13 0.00 0.00 52.55 51.96 1jup s ASP 144 Cb 0.00 -2.35 2.20 0.00 -1.45 0.00 0.00 42.92 41.33 1jup s ASP 144 CO 0.53 -0.68 2.25 0.58 0.13 0.00 0.00 175.17 177.98 1jup h VAL 145 N 4.60 0.00 0.00 1.11 2.07 -1.99 -2.84 116.25 119.21 1jup h VAL 145 Ca 0.25 -0.01 -0.09 0.00 0.82 0.00 0.00 66.70 67.68 1jup h VAL 145 Cb 0.90 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.58 1jup h VAL 145 CO 1.15 0.00 -0.48 0.78 0.02 0.00 0.00 177.57 179.03 1jup h ASN 146 N 0.00 0.00 -0.95 0.57 4.21 -1.94 -2.69 115.58 114.77 1jup h ASN 146 Ca 0.00 -0.72 0.17 0.00 1.21 0.00 0.00 56.30 56.96 1jup h ASN 146 Cb 0.01 0.00 -0.08 0.00 -1.12 0.00 0.00 38.32 37.13 1jup h ASN 146 CO 0.00 1.14 0.60 0.00 -1.29 0.00 0.00 177.43 177.89 1jup h ALA 147 N -0.28 1.81 0.02 -0.83 0.00 -1.91 -0.44 119.26 117.64 1jup h ALA 147 Ca -0.13 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1jup h ALA 147 Cb 1.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1jup h ALA 147 CO -0.08 -0.11 -0.01 0.28 0.00 0.00 0.00 179.25 179.33 1jup h VAL 148 N 0.71 1.35 -0.09 0.00 2.07 -1.66 -1.87 116.25 116.76 1jup h VAL 148 Ca 0.51 -1.15 0.03 0.00 0.82 0.00 0.00 66.70 66.91 1jup h VAL 148 Cb 0.85 2.12 -0.00 0.00 -1.52 0.00 0.00 31.29 32.73 1jup h VAL 148 CO -0.27 0.29 0.33 0.28 0.02 0.00 0.00 177.57 178.23 1jup h SER 149 N -0.52 0.00 0.04 0.57 0.02 -0.75 0.76 113.55 113.67 1jup h SER 149 Ca -0.00 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.67 1jup h SER 149 Cb 0.50 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1jup h SER 149 CO 0.00 0.00 -1.53 0.29 -1.14 0.00 0.00 176.83 174.45 1jup n LYS 150 N -3.11 0.63 0.10 3.45 5.02 -0.77 -2.42 118.16 121.06 1jup n LYS 150 Ca -0.00 0.47 -0.14 0.00 -2.02 0.00 0.00 58.31 56.62 1jup n LYS 150 Cb 0.41 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.62 1jup n LYS 150 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1jup h ILE 151 N -0.64 0.18 0.16 -0.18 2.04 -0.37 0.33 117.51 119.03 1jup h ILE 151 Ca -0.38 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1jup h ILE 151 Cb 1.56 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1jup h ILE 151 CO -0.11 0.00 -0.27 0.00 0.00 0.00 0.00 178.15 177.76 1jup h ALA 152 N -0.07 -0.87 -0.94 1.87 0.00 0.31 -0.33 119.26 119.22 1jup h ALA 152 Ca 0.03 -0.08 0.25 0.00 0.00 0.00 0.00 54.91 55.11 1jup h ALA 152 Cb 0.65 0.60 -0.05 0.00 0.00 0.00 0.00 17.79 18.99 1jup h ALA 152 CO -0.26 -0.92 0.65 0.00 0.00 0.00 0.00 179.25 178.72 1jup h ALA 153 N -1.16 2.61 0.00 0.00 0.00 -1.36 -2.12 119.26 117.23 1jup h ALA 153 Ca -0.02 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.70 1jup h ALA 153 Cb 0.43 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 1jup h ALA 153 CO -0.09 -0.90 -0.90 -0.91 0.00 0.00 0.00 179.25 176.45 1jup h ASN 154 N 0.16 0.00 0.04 0.00 -0.26 0.81 -2.72 115.58 113.62 1jup h ASN 154 Ca 0.47 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 56.21 1jup h ASN 154 Cb 1.57 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.83 1jup h ASN 154 CO -0.09 0.84 -0.02 0.00 -1.06 0.00 0.00 177.43 177.10 1jup h ALA 155 N 1.16 -0.05 -0.47 -0.83 0.00 -0.47 -1.99 119.26 116.61 1jup h ALA 155 Ca -0.03 -0.33 0.10 0.00 0.00 0.00 0.00 54.91 54.65 1jup h ALA 155 Cb 1.66 0.02 -0.10 0.00 0.00 0.00 0.00 17.79 19.37 1jup h ALA 155 CO 0.11 -0.11 -0.21 0.28 0.00 0.00 0.00 179.25 179.32 1jup h VAL 156 N -0.89 0.37 -0.84 0.00 2.07 -1.58 0.44 116.25 115.82 1jup h VAL 156 Ca -0.01 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1jup h VAL 156 Cb 0.67 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 1jup h VAL 156 CO 0.01 0.00 0.53 -1.13 0.02 0.00 0.00 177.57 177.00 1jup h ASN 157 N -0.10 0.84 0.03 0.57 -0.73 -1.55 0.19 115.58 114.83 1jup h ASN 157 Ca 0.22 0.01 -0.08 0.00 1.87 0.00 0.00 56.30 58.33 1jup h ASN 157 Cb 0.45 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.86 1jup h ASN 157 CO -0.54 0.55 -0.22 1.23 -0.37 0.00 0.00 177.43 178.08 1jup h GLY 158 N 0.97 0.35 0.85 1.57 0.00 -0.19 -2.33 103.07 104.29 1jup h GLY 158 Ca 0.36 -0.26 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 1jup h GLY 158 CO -0.16 0.24 -0.27 -2.22 0.00 0.00 0.00 176.54 174.13 1jup h ILE 159 N 0.30 1.34 0.38 2.60 2.04 0.19 -1.27 117.51 123.09 1jup h ILE 159 Ca 0.05 -1.48 -0.01 0.00 1.00 0.00 0.00 64.86 64.42 1jup h ILE 159 Cb 0.55 1.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1jup h ILE 159 CO 0.04 0.45 -0.34 0.58 0.00 0.00 0.00 178.15 178.88 1jup h VAL 160 N 0.17 0.00 -0.10 1.67 2.07 -0.59 -2.64 116.25 116.84 1jup h VAL 160 Ca 0.02 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.40 1jup h VAL 160 Cb 0.84 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 1jup h VAL 160 CO 0.06 0.00 -0.54 0.71 0.02 0.00 0.00 177.57 177.83 1jup h THR 161 N -0.71 1.36 0.00 2.57 1.35 -1.52 -1.77 112.91 114.19 1jup h THR 161 Ca -0.05 -1.82 0.00 0.00 -0.55 0.00 0.00 66.41 63.99 1jup h THR 161 Cb 0.60 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.90 1jup h THR 161 CO -0.02 0.54 -0.22 0.49 -0.25 0.00 0.00 175.52 176.06 1jup n PHE 162 N -3.93 0.03 -0.03 4.73 3.01 -0.48 -3.55 117.46 117.24 1jup n PHE 162 Ca -0.02 0.01 0.03 0.00 1.01 0.00 0.00 57.45 58.47 1jup n PHE 162 Cb 0.57 -0.41 -0.12 0.00 -0.01 0.00 0.00 39.48 39.51 1jup n PHE 162 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 1jup n THR 163 N -1.53 0.36 -1.51 4.37 -1.04 -0.99 -4.90 114.28 109.04 1jup n THR 163 Ca 0.06 -0.46 -0.18 0.00 -2.04 0.00 0.00 64.05 61.43 1jup n THR 163 Cb 0.34 -0.13 -0.16 0.00 -1.82 0.00 0.00 70.33 68.57 1jup n THR 163 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00 1jup n HIS 164 N -2.24 0.49 0.00 -1.42 -0.00 -0.67 -3.26 115.22 108.13 1jup n HIS 164 Ca -0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 57.72 57.60 1jup n HIS 164 Cb 0.62 -1.41 0.00 0.00 -0.00 0.00 0.00 29.99 29.20 1jup n HIS 164 CO 0.00 0.00 0.00 -0.85 -0.00 0.00 0.00 176.34 175.49 1jup n GLU 165 N 6.88 0.00 0.00 1.57 0.28 -1.26 -5.03 120.64 123.08 1jup n GLU 165 Ca 0.57 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.57 1jup n GLU 165 Cb 0.27 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.14 1jup n GLU 165 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1jup n GLN 166 N -1.16 2.50 -1.72 3.44 10.64 -1.20 -5.03 117.38 124.84 1jup n GLN 166 Ca 0.00 0.00 -0.42 0.00 -1.83 0.00 0.00 57.00 54.75 1jup n GLN 166 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1jup n GLN 166 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 1jup s ASN 167 N -1.00 6.45 0.61 2.61 3.04 -1.26 -4.87 114.94 120.51 1jup s ASN 167 Ca 0.00 2.70 0.30 0.00 0.04 0.00 0.00 52.86 55.90 1jup s ASN 167 Cb 0.00 -2.55 1.65 0.00 -1.54 0.00 0.00 41.25 38.80 1jup s ASN 167 CO 0.00 -1.01 2.03 -0.29 -3.04 0.00 0.00 177.10 174.79 1jup h ILE 168 N 4.99 0.33 0.07 -5.21 6.09 -1.99 0.60 117.51 122.40 1jup h ILE 168 Ca -0.47 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 62.89 1jup h ILE 168 Cb 1.22 0.75 0.01 0.00 0.47 0.00 0.00 36.82 39.28 1jup h ILE 168 CO 0.95 0.00 -0.57 0.78 -3.07 0.00 0.00 178.15 176.23 1jup h ASN 169 N 0.00 0.37 -0.50 2.19 2.35 -1.98 -1.72 115.58 116.30 1jup h ASN 169 Ca 0.10 -0.90 0.08 0.00 -0.55 0.00 0.00 56.30 55.03 1jup h ASN 169 Cb 0.69 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.87 1jup h ASN 169 CO -0.00 1.24 0.13 -0.33 -1.65 0.00 0.00 177.43 176.82 1jup h GLU 170 N -0.44 0.27 -0.54 0.81 4.39 -1.32 0.44 114.58 118.20 1jup h GLU 170 Ca -0.09 -0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.62 1jup h GLU 170 Cb 1.40 -0.06 -0.04 0.00 -0.10 0.00 0.00 28.75 29.95 1jup h GLU 170 CO 0.11 0.18 0.32 0.00 -1.16 0.00 0.00 179.01 178.46 1jup h ARG 171 N 0.28 0.62 -0.53 2.33 3.08 -1.26 -0.32 114.38 118.58 1jup h ARG 171 Ca 0.25 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.22 1jup h ARG 171 Cb 0.31 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1jup h ARG 171 CO -0.29 0.41 0.17 0.82 -1.07 0.00 0.00 179.97 180.00 1jup h ILE 172 N 0.64 1.21 -0.21 2.04 1.08 0.02 -1.34 117.51 120.94 1jup h ILE 172 Ca 0.22 -0.70 -0.09 0.00 -0.39 0.00 0.00 64.86 63.89 1jup h ILE 172 Cb 0.03 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.40 1jup h ILE 172 CO -0.10 0.27 -0.22 0.50 -0.69 0.00 0.00 178.15 177.91 1jup h LYS 173 N 0.77 0.53 -0.29 2.37 3.64 0.35 -2.88 116.57 121.06 1jup h LYS 173 Ca 0.18 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1jup h LYS 173 Cb 0.22 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1jup h LYS 173 CO -0.01 0.87 0.08 -0.07 -2.27 0.00 0.00 179.45 178.05 1jup h LEU 174 N 0.21 0.42 -1.53 5.20 3.38 -0.86 -0.96 115.31 121.16 1jup h LEU 174 Ca 0.03 -0.21 0.16 0.00 0.09 0.00 0.00 57.88 57.95 1jup h LEU 174 Cb 0.78 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 1jup h LEU 174 CO 0.05 0.52 0.53 -0.03 0.09 0.00 0.00 178.44 179.61 1jup h MET 175 N 0.30 0.43 0.04 1.13 4.05 -1.28 -0.04 114.93 119.57 1jup h MET 175 Ca 0.09 -0.03 -0.10 0.00 -0.28 0.00 0.00 59.70 59.39 1jup h MET 175 Cb 0.26 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 30.97 1jup h MET 175 CO -0.00 0.29 -0.41 -0.91 0.23 0.00 0.00 176.91 176.10 1jup h ASN 176 N 0.45 0.30 -0.95 1.39 -0.26 -1.22 -0.36 115.58 114.93 1jup h ASN 176 Ca 0.40 -0.86 0.18 0.00 -0.56 0.00 0.00 56.30 55.45 1jup h ASN 176 Cb 0.89 -0.09 -0.08 0.00 -1.06 0.00 0.00 38.32 37.97 1jup h ASN 176 CO -0.14 1.13 0.60 0.50 -1.06 0.00 0.00 177.43 178.46 1jup h LYS 177 N -0.50 0.63 0.11 0.81 1.63 -0.42 -0.91 116.57 117.92 1jup h LYS 177 Ca -0.06 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.69 1jup h LYS 177 Cb 1.23 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.72 1jup h LYS 177 CO 0.08 0.42 -0.05 0.35 -3.45 0.00 0.00 179.45 176.80 1jup h PHE 178 N 0.65 -0.13 -1.02 1.91 3.57 -0.96 -2.43 116.94 118.53 1jup h PHE 178 Ca 0.51 -0.00 0.27 0.00 3.53 0.00 0.00 57.97 62.27 1jup h PHE 178 Cb 0.91 0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.62 1jup h PHE 178 CO -0.00 0.24 0.69 0.77 -2.23 0.00 0.00 178.31 177.77 1jup h SER 179 N -0.53 0.30 0.30 0.41 0.02 0.23 -0.64 113.55 113.64 1jup h SER 179 Ca -0.01 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 1jup h SER 179 Cb 0.43 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.97 1jup h SER 179 CO 0.02 0.07 -0.14 -0.61 -1.14 0.00 0.00 176.83 175.04 1jup h GLN 180 N 0.28 -0.39 -0.88 3.45 4.15 -1.13 -1.78 115.11 118.81 1jup h GLN 180 Ca 0.55 0.03 0.17 0.00 0.77 0.00 0.00 58.65 60.16 1jup h GLN 180 Cb 1.60 0.09 -0.16 0.00 0.21 0.00 0.00 27.48 29.22 1jup h GLN 180 CO -0.19 -0.26 -0.25 0.82 -1.93 0.00 0.00 178.83 177.02 1jup h ILE 181 N -0.76 0.10 -0.71 2.39 1.08 -0.97 0.57 117.51 119.21 1jup h ILE 181 Ca -0.04 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.45 1jup h ILE 181 Cb 0.31 0.10 -0.04 0.00 -3.07 0.00 0.00 36.82 34.12 1jup h ILE 181 CO 0.07 0.00 0.46 0.15 -0.69 0.00 0.00 178.15 178.13 1jup h PHE 182 N -0.01 0.86 0.00 1.37 3.57 -1.19 -0.68 116.94 120.85 1jup h PHE 182 Ca 0.40 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.84 1jup h PHE 182 Cb 0.64 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.08 1jup h PHE 182 CO -0.71 0.51 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.40 1jup h LEU 183 N 0.91 0.00 -0.27 0.59 3.38 0.92 -2.86 115.31 117.98 1jup h LEU 183 Ca 0.27 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.07 1jup h LEU 183 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1jup h LEU 183 CO -0.09 0.41 -0.52 0.78 0.09 0.00 0.00 178.44 179.10 1jup h ASN 184 N 0.00 0.93 -0.97 -0.43 4.21 -0.05 -3.12 115.58 116.16 1jup h ASN 184 Ca -0.00 -0.54 0.18 0.00 1.21 0.00 0.00 56.30 57.15 1jup h ASN 184 Cb 0.83 -0.27 -0.09 0.00 -1.12 0.00 0.00 38.32 37.67 1jup h ASN 184 CO 0.05 1.30 0.61 1.23 -1.29 0.00 0.00 177.43 179.33 1jup h GLY 185 N 0.61 1.48 -1.36 2.83 0.00 -0.91 -3.42 103.07 102.30 1jup h GLY 185 Ca 0.01 -0.32 -0.51 0.00 0.00 0.00 0.00 47.33 46.51 1jup h GLY 185 CO 0.12 0.00 0.42 1.08 0.00 0.00 0.00 176.54 178.16 1jup s LEU 186 N -10.01 3.22 0.00 3.11 1.43 -1.18 -5.12 118.68 110.13 1jup s LEU 186 Ca -0.10 1.43 0.00 0.00 -1.03 0.00 0.00 54.13 54.43 1jup s LEU 186 Cb 0.24 -4.47 0.00 0.00 0.03 0.00 0.00 46.19 41.99 1jup s LEU 186 CO 0.80 -0.91 0.00 -0.24 0.23 0.00 0.00 176.35 176.23