#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 1.52 0.32 1.20 -0.00 -1.26 -3.98 117.00 114.80 1jup n LEU 3 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 56.01 56.21 1jup n LEU 3 Cb 0.00 0.00 1.10 0.00 -0.00 0.00 0.00 43.42 44.52 1jup n LEU 3 CO 0.00 0.00 1.16 0.07 -0.00 0.00 0.00 177.39 178.62 1jup h LYS 4 N 0.00 0.00 -0.50 1.96 5.09 -2.00 0.58 116.57 121.71 1jup h LYS 4 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1jup h LYS 4 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 1jup h LYS 4 CO 0.00 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.11 1jup n ASP 5 N -3.38 2.65 -0.00 7.07 8.00 -1.26 -3.45 116.55 126.18 1jup n ASP 5 Ca -0.03 -2.10 0.01 0.00 0.71 0.00 0.00 54.79 53.37 1jup n ASP 5 Cb 0.08 -0.36 -0.01 0.00 -0.02 0.00 0.00 41.12 40.81 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 0.72 3.44 0.02 -1.24 3.00 0.17 -4.19 118.16 120.09 1jup n LYS 6 Ca 0.15 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.31 58.37 1jup n LYS 6 Cb 0.46 -0.79 -0.06 0.00 0.00 0.00 0.00 35.03 34.64 1jup n LYS 6 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 1jup h ILE 7 N 0.00 0.71 -0.91 3.15 2.04 -1.53 -2.73 117.51 118.25 1jup h ILE 7 Ca 0.00 -1.26 0.09 0.00 1.00 0.00 0.00 64.86 64.69 1jup h ILE 7 Cb 0.05 1.27 -0.06 0.00 -0.74 0.00 0.00 36.82 37.33 1jup h ILE 7 CO 0.00 0.21 0.59 -0.07 0.00 0.00 0.00 178.15 178.88 1jup h LEU 8 N -0.95 0.84 -1.87 1.44 3.38 -1.83 0.62 115.31 116.95 1jup h LEU 8 Ca -0.02 0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1jup h LEU 8 Cb 0.47 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1jup h LEU 8 CO 0.03 0.51 0.38 1.23 0.09 0.00 0.00 178.44 180.67 1jup h GLY 9 N 0.94 0.22 0.00 0.83 0.00 -1.72 0.12 103.07 103.46 1jup h GLY 9 Ca 0.42 -0.06 -0.33 0.00 0.00 0.00 0.00 47.33 47.35 1jup h GLY 9 CO -0.18 0.03 -2.26 -0.62 0.00 0.00 0.00 176.54 173.51 1jup n VAL 10 N -4.42 1.27 0.02 4.60 0.31 0.22 -4.36 118.33 115.96 1jup n VAL 10 Ca 0.10 -0.65 -0.11 0.00 -0.01 0.00 0.00 64.34 63.66 1jup n VAL 10 Cb 0.52 -0.85 -0.06 0.00 -0.91 0.00 0.00 33.84 32.54 1jup n VAL 10 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1jup h ALA 11 N 0.52 0.04 -0.61 3.52 0.00 0.43 -0.34 119.26 122.81 1jup h ALA 11 Ca -0.50 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1jup h ALA 11 Cb 1.98 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1jup h ALA 11 CO -0.02 -0.49 0.00 1.17 0.00 0.00 0.00 179.25 179.91 1jup n LYS 12 N -5.11 0.00 -0.33 0.00 4.81 0.40 -0.78 118.16 117.15 1jup n LYS 12 Ca -0.06 0.75 0.19 0.00 -0.87 0.00 0.00 58.31 58.32 1jup n LYS 12 Cb 0.05 -1.40 0.44 0.00 0.02 0.00 0.00 35.03 34.14 1jup n LYS 12 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1jup h GLU 13 N 0.00 0.50 0.55 1.64 4.22 -1.75 -1.94 114.58 117.80 1jup h GLU 13 Ca 0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.38 1jup h GLU 13 Cb 0.00 -0.11 0.01 0.00 0.50 0.00 0.00 28.75 29.14 1jup h GLU 13 CO 0.00 0.33 -0.26 1.25 -2.18 0.00 0.00 179.01 178.15 1jup h LEU 14 N 0.51 -0.62 -0.81 1.64 5.85 -0.07 0.22 115.31 122.03 1jup h LEU 14 Ca 0.61 -0.02 0.19 0.00 0.84 0.00 0.00 57.88 59.50 1jup h LEU 14 Cb 1.32 0.16 -0.12 0.00 0.37 0.00 0.00 40.66 42.39 1jup h LEU 14 CO -0.38 -0.37 0.25 -0.26 -0.34 0.00 0.00 178.44 177.34 1jup h PHE 15 N -0.84 0.40 0.00 1.25 0.05 -0.22 0.35 116.94 117.94 1jup h PHE 15 Ca -0.07 0.04 0.00 0.00 3.82 0.00 0.00 57.97 61.76 1jup h PHE 15 Cb 0.60 -0.05 0.00 0.00 2.00 0.00 0.00 35.95 38.50 1jup h PHE 15 CO -0.02 -0.09 0.00 -0.89 -0.18 0.00 0.00 178.31 177.14 1jup n ILE 16 N -5.13 0.00 -0.37 -0.55 5.41 -0.86 0.10 119.36 117.96 1jup n ILE 16 Ca 0.17 0.95 -0.05 0.00 1.00 0.00 0.00 62.75 64.82 1jup n ILE 16 Cb 0.54 -1.84 -0.02 0.00 -0.71 0.00 0.00 39.64 37.61 1jup n ILE 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 1jup n LYS 17 N -0.70 -0.31 -0.01 0.38 4.81 0.73 -2.86 118.16 120.20 1jup n LYS 17 Ca 0.00 1.43 -0.08 0.00 -0.87 0.00 0.00 58.31 58.78 1jup n LYS 17 Cb 0.00 -2.11 -0.14 0.00 0.02 0.00 0.00 35.03 32.80 1jup n LYS 17 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1jup h ASN 18 N 0.00 0.00 -5.00 3.14 2.35 -0.40 -3.51 115.58 112.16 1jup h ASN 18 Ca 0.25 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1jup h ASN 18 Cb 0.48 -0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.85 1jup h ASN 18 CO -0.91 1.01 0.00 0.61 -1.65 0.00 0.00 177.43 176.49 1jup n GLY 19 N 1.53 0.84 0.10 2.83 0.00 0.29 -4.30 105.19 106.48 1jup n GLY 19 Ca -0.15 -2.19 -0.12 0.00 0.00 0.00 0.00 46.02 43.56 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 0.22 0.13 1.61 3.20 -1.83 -3.28 116.97 117.02 1jup h TYR 20 Ca 0.00 -0.03 -0.28 0.00 3.14 0.00 0.00 58.73 61.56 1jup h TYR 20 Cb 0.00 -0.06 0.01 0.00 1.54 0.00 0.00 36.73 38.22 1jup h TYR 20 CO 0.00 0.39 -1.24 -0.91 -1.64 0.00 0.00 178.16 174.75 1jup h ASN 21 N -0.01 0.55 -0.72 -2.11 2.35 -1.95 -3.32 115.58 110.37 1jup h ASN 21 Ca 0.04 -0.56 0.16 0.00 -0.55 0.00 0.00 56.30 55.39 1jup h ASN 21 Cb 0.28 -0.18 -0.11 0.00 0.05 0.00 0.00 38.32 38.37 1jup h ASN 21 CO 0.00 1.42 0.15 0.00 -1.65 0.00 0.00 177.43 177.35 1jup h ALA 22 N 0.51 0.91 -2.71 -0.83 0.00 -1.75 -3.38 119.26 112.00 1jup h ALA 22 Ca -0.15 0.17 -0.55 0.00 0.00 0.00 0.00 54.91 54.38 1jup h ALA 22 Cb 1.95 0.25 -0.04 0.00 0.00 0.00 0.00 17.79 19.94 1jup h ALA 22 CO 0.21 -0.35 0.07 0.95 0.00 0.00 0.00 179.25 180.14 1jup s THR 23 N -6.06 4.70 0.14 0.00 -4.23 -1.24 -5.00 115.64 103.96 1jup s THR 23 Ca -0.13 1.44 0.06 0.00 -1.18 0.00 0.00 61.69 61.88 1jup s THR 23 Cb 0.21 -4.02 -0.04 0.00 1.34 0.00 0.00 72.50 69.99 1jup s THR 23 CO 0.75 0.46 0.05 0.42 -0.54 0.00 0.00 174.62 175.76 1jup s THR 24 N -0.59 4.10 0.31 3.99 -4.23 -1.26 -4.96 115.64 113.00 1jup s THR 24 Ca 0.33 -1.14 0.07 0.00 -1.18 0.00 0.00 61.69 59.77 1jup s THR 24 Cb -0.20 -3.03 0.30 0.00 1.34 0.00 0.00 72.50 70.91 1jup s THR 24 CO 0.21 -0.02 1.77 0.74 -0.54 0.00 0.00 174.62 176.78 1jup h THR 25 N 2.48 0.68 0.00 3.99 2.02 -1.97 -0.50 112.91 119.60 1jup h THR 25 Ca -0.47 -0.25 -0.23 0.00 0.77 0.00 0.00 66.41 66.22 1jup h THR 25 Cb 1.19 -0.12 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1jup h THR 25 CO 0.61 0.13 -1.33 1.23 0.37 0.00 0.00 175.52 176.53 1jup h GLY 26 N 0.73 0.00 1.02 2.16 0.00 -1.98 -3.24 103.07 101.76 1jup h GLY 26 Ca 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.91 1jup h GLY 26 CO -0.39 0.00 0.48 -2.09 0.00 0.00 0.00 176.54 174.54 1jup h GLU 27 N 0.00 1.15 -0.06 4.80 4.81 -1.54 0.16 114.58 123.90 1jup h GLU 27 Ca -0.15 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 58.96 1jup h GLU 27 Cb 1.83 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.97 1jup h GLU 27 CO 0.09 0.83 0.04 0.82 -0.73 0.00 0.00 179.01 180.06 1jup h ILE 28 N 1.16 1.03 -0.03 2.32 2.04 -1.34 -1.04 117.51 121.64 1jup h ILE 28 Ca 0.30 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 66.09 1jup h ILE 28 Cb -0.01 0.97 -0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1jup h ILE 28 CO -0.05 0.03 0.05 0.58 0.00 0.00 0.00 178.15 178.76 1jup h VAL 29 N 0.06 0.36 0.08 1.67 2.07 -1.44 -1.13 116.25 117.92 1jup h VAL 29 Ca 0.02 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 1jup h VAL 29 Cb 0.01 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 1jup h VAL 29 CO -0.00 0.00 -0.04 0.50 0.02 0.00 0.00 177.57 178.05 1jup h LYS 30 N 0.00 -0.10 0.00 1.57 3.11 0.61 -2.86 116.57 118.89 1jup h LYS 30 Ca 0.02 0.01 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1jup h LYS 30 Cb 0.12 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1jup h LYS 30 CO -0.00 -0.07 0.00 1.28 -2.81 0.00 0.00 179.45 177.85 1jup n LEU 31 N -2.51 0.00 -0.00 5.20 4.32 -0.86 -2.58 117.00 120.57 1jup n LEU 31 Ca -0.01 0.00 0.05 0.00 -0.02 0.00 0.00 56.01 56.03 1jup n LEU 31 Cb 0.04 0.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.78 1jup n LEU 31 CO 0.03 0.00 -0.14 -0.24 -1.22 0.00 0.00 177.39 175.82 1jup n SER 32 N -0.86 0.86 0.00 -1.43 2.88 -0.44 -4.99 113.62 109.65 1jup n SER 32 Ca 0.13 -0.62 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 1jup n SER 32 Cb 0.06 1.09 0.00 0.00 -0.75 0.00 0.00 64.21 64.61 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 -1.37 0.00 -1.53 -1.46 4.71 -1.07 -4.89 120.64 115.04 1jup n GLU 33 Ca 0.01 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 56.87 1jup n GLU 33 Cb 0.19 -3.21 0.11 0.00 -1.01 0.00 0.00 31.44 27.52 1jup n GLU 33 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 1jup s SER 34 N -2.68 4.09 0.01 1.62 0.15 -1.15 -5.02 113.70 110.72 1jup s SER 34 Ca 0.00 1.19 -0.22 0.00 0.70 0.00 0.00 55.95 57.62 1jup s SER 34 Cb 0.00 -1.87 -0.05 0.00 -1.71 0.00 0.00 66.02 62.39 1jup s SER 34 CO 0.00 -2.21 0.67 -0.55 1.20 0.00 0.00 173.24 172.35 1jup s SER 35 N -3.92 7.07 0.39 5.45 0.15 -1.26 -4.74 113.70 116.83 1jup s SER 35 Ca 0.62 1.28 0.22 0.00 0.70 0.00 0.00 55.95 58.77 1jup s SER 35 Cb -0.15 -2.41 1.28 0.00 -1.71 0.00 0.00 66.02 63.03 1jup s SER 35 CO 0.54 0.06 1.64 0.07 1.20 0.00 0.00 173.24 176.74 1jup h LYS 36 N 5.71 0.16 0.00 5.44 2.10 -1.96 0.57 116.57 128.60 1jup h LYS 36 Ca -0.44 -0.01 -0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1jup h LYS 36 Cb 1.20 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1jup h LYS 36 CO 0.70 0.11 -0.00 0.78 -2.00 0.00 0.00 179.45 179.04 1jup h GLY 37 N 0.17 -0.01 -0.41 0.07 0.00 -2.02 -3.23 103.07 97.65 1jup h GLY 37 Ca 0.78 0.00 0.16 0.00 0.00 0.00 0.00 47.33 48.28 1jup h GLY 37 CO -0.55 -0.00 0.18 0.70 0.00 0.00 0.00 176.54 176.87 1jup n ASN 38 N -4.87 0.11 0.00 0.19 4.13 0.19 -0.51 115.26 114.50 1jup n ASN 38 Ca -0.08 0.68 0.00 0.00 1.68 0.00 0.00 54.58 56.85 1jup n ASN 38 Cb 0.24 -0.32 0.00 0.00 -1.54 0.00 0.00 39.78 38.16 1jup n ASN 38 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1jup n LEU 39 N -4.01 0.00 0.00 3.41 7.99 -1.22 -3.65 117.00 119.53 1jup n LEU 39 Ca 0.14 0.50 0.00 0.00 -0.01 0.00 0.00 56.01 56.64 1jup n LEU 39 Cb 0.49 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.80 1jup n LEU 39 CO -0.00 0.00 0.00 0.00 -1.51 0.00 0.00 177.39 175.88 1jup n TYR 40 N -0.69 0.00 0.08 -1.77 9.36 0.33 -0.03 117.16 124.44 1jup n TYR 40 Ca 0.00 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.06 1jup n TYR 40 Cb 0.00 -0.30 -0.08 0.00 -0.63 0.00 0.00 39.34 38.33 1jup n TYR 40 CO 0.00 0.00 0.00 -0.92 0.22 0.00 0.00 176.86 176.16 1jup h TYR 41 N 0.00 0.69 0.10 2.98 3.20 -1.75 -3.24 116.97 118.95 1jup h TYR 41 Ca 0.00 -0.41 -0.16 0.00 3.14 0.00 0.00 58.73 61.30 1jup h TYR 41 Cb 0.00 -0.07 0.01 0.00 1.54 0.00 0.00 36.73 38.22 1jup h TYR 41 CO 0.00 1.25 -0.75 1.25 -1.64 0.00 0.00 178.16 178.27 1jup h HIS 42 N 0.22 0.40 -3.38 -3.82 2.76 -1.02 -3.44 115.15 106.87 1jup h HIS 42 Ca -0.11 -0.29 -0.66 0.00 -2.20 0.00 0.00 60.37 57.11 1jup h HIS 42 Cb 1.72 -0.02 -0.36 0.00 1.55 0.00 0.00 27.41 30.30 1jup h HIS 42 CO 0.07 1.29 -0.83 -0.06 -1.30 0.00 0.00 177.93 177.10 1jup s PHE 43 N -2.39 2.85 0.00 5.26 2.99 0.96 -5.07 117.98 122.57 1jup s PHE 43 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 56.93 54.93 1jup s PHE 43 Cb 0.01 -1.86 0.00 0.00 0.00 0.00 0.00 43.02 41.16 1jup s PHE 43 CO 0.78 -0.82 0.22 1.17 -0.00 0.00 0.00 175.22 176.58 1jup n LYS 44 N 4.58 0.00 -4.01 0.44 3.00 -1.22 -2.42 118.16 118.53 1jup n LYS 44 Ca -0.18 0.06 -0.23 0.00 -0.00 0.00 0.00 58.31 57.97 1jup n LYS 44 Cb 0.47 -0.72 -0.06 0.00 0.00 0.00 0.00 35.03 34.72 1jup n LYS 44 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1jup s THR 45 N -0.44 2.67 0.52 3.15 -1.32 -1.26 -4.28 115.64 114.69 1jup s THR 45 Ca 0.00 -1.63 0.23 0.00 -1.21 0.00 0.00 61.69 59.08 1jup s THR 45 Cb 0.00 -2.99 0.29 0.00 -1.51 0.00 0.00 72.50 68.29 1jup s THR 45 CO 0.00 -0.08 2.16 0.50 -2.21 0.00 0.00 174.62 174.99 1jup h LYS 46 N 1.40 0.00 0.00 7.08 3.11 -1.99 0.16 116.57 126.34 1jup h LYS 46 Ca -0.43 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.36 1jup h LYS 46 Cb 1.25 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 32.48 1jup h LYS 46 CO 0.65 0.04 -0.26 1.05 -2.81 0.00 0.00 179.45 178.13 1jup h GLU 47 N 0.00 0.00 0.07 1.90 4.11 -1.98 -2.49 114.58 116.19 1jup h GLU 47 Ca -0.00 0.00 -0.26 0.00 0.07 0.00 0.00 59.36 59.17 1jup h GLU 47 Cb 0.09 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.36 1jup h GLU 47 CO 0.01 0.26 -1.12 -0.97 0.07 0.00 0.00 179.01 177.25 1jup h ASN 48 N 0.00 0.63 -0.61 3.06 -1.24 -1.13 0.21 115.58 116.50 1jup h ASN 48 Ca -0.00 -0.57 -0.09 0.00 0.71 0.00 0.00 56.30 56.34 1jup h ASN 48 Cb 1.17 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 40.00 1jup h ASN 48 CO 0.03 1.39 0.02 0.25 -1.29 0.00 0.00 177.43 177.83 1jup h LEU 49 N 0.21 1.05 -0.46 0.34 5.85 -1.07 0.33 115.31 121.56 1jup h LEU 49 Ca -0.13 -0.29 -0.11 0.00 0.84 0.00 0.00 57.88 58.19 1jup h LEU 49 Cb 1.79 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 42.53 1jup h LEU 49 CO 0.20 1.09 -0.51 0.15 -0.34 0.00 0.00 178.44 179.03 1jup h PHE 50 N 0.98 0.00 0.00 1.25 3.04 -1.46 -1.07 116.94 119.68 1jup h PHE 50 Ca 0.18 0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.04 1jup h PHE 50 Cb 0.54 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.04 1jup h PHE 50 CO 0.04 0.51 -0.41 1.25 -2.02 0.00 0.00 178.31 177.68 1jup h LEU 51 N 0.00 0.00 0.17 0.59 5.85 -0.14 -3.02 115.31 118.76 1jup h LEU 51 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 1jup h LEU 51 Cb 1.20 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.23 1jup h LEU 51 CO 0.07 0.41 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.42 1jup h GLU 52 N 0.00 -0.21 -1.37 1.25 4.57 -0.01 -3.26 114.58 115.54 1jup h GLU 52 Ca -0.00 0.01 0.43 0.00 -1.18 0.00 0.00 59.36 58.62 1jup h GLU 52 Cb 1.18 0.05 -0.11 0.00 -0.16 0.00 0.00 28.75 29.70 1jup h GLU 52 CO 0.05 -0.14 0.91 0.82 -1.18 0.00 0.00 179.01 179.47 1jup h ILE 53 N -0.59 0.16 0.68 2.32 2.04 -1.30 0.23 117.51 121.05 1jup h ILE 53 Ca -0.02 -0.03 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1jup h ILE 53 Cb 0.17 0.06 0.01 0.00 -0.74 0.00 0.00 36.82 36.31 1jup h ILE 53 CO 0.04 0.02 -0.33 -0.07 0.00 0.00 0.00 178.15 177.81 1jup h LEU 54 N 0.09 -0.77 -2.20 1.44 3.38 -1.61 -0.81 115.31 114.84 1jup h LEU 54 Ca 0.80 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.84 1jup h LEU 54 Cb 2.62 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 43.56 1jup h LEU 54 CO -0.33 -0.53 0.20 0.78 0.09 0.00 0.00 178.44 178.65 1jup h ASN 55 N -0.95 0.00 0.34 -0.43 4.21 -0.58 0.39 115.58 118.56 1jup h ASN 55 Ca -0.09 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.40 1jup h ASN 55 Cb 0.71 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.91 1jup h ASN 55 CO 0.15 0.00 -0.16 0.40 -1.29 0.00 0.00 177.43 176.53 1jup h ILE 56 N 0.00 0.47 -0.02 2.81 5.03 -1.18 -2.11 117.51 122.51 1jup h ILE 56 Ca 0.09 -0.73 0.02 0.00 -0.12 0.00 0.00 64.86 64.13 1jup h ILE 56 Cb 0.50 0.74 -0.03 0.00 -3.03 0.00 0.00 36.82 35.01 1jup h ILE 56 CO -0.00 0.10 -0.12 -0.33 -0.68 0.00 0.00 178.15 177.13 1jup h GLU 57 N -0.95 -0.18 -0.20 2.37 4.39 0.12 0.47 114.58 120.59 1jup h GLU 57 Ca -0.05 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.72 1jup h GLU 57 Cb 0.52 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1jup h GLU 57 CO 0.08 -0.12 0.28 0.93 -1.16 0.00 0.00 179.01 179.02 1jup h GLU 58 N -0.19 0.00 0.00 2.33 4.39 -0.36 -1.64 114.58 119.12 1jup h GLU 58 Ca 0.05 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1jup h GLU 58 Cb 0.25 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.90 1jup h GLU 58 CO -0.13 0.00 -0.07 1.03 -1.16 0.00 0.00 179.01 178.68 1jup h SER 59 N 0.00 0.00 -0.74 1.42 0.87 -0.17 -2.94 113.55 111.99 1jup h SER 59 Ca 0.10 0.00 0.13 0.00 -1.23 0.00 0.00 61.79 60.78 1jup h SER 59 Cb 0.66 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 62.49 1jup h SER 59 CO -0.00 0.23 -0.25 0.29 -0.53 0.00 0.00 176.83 176.57 1jup n LYS 60 N -3.13 -0.13 0.20 2.24 4.76 0.14 0.16 118.16 122.40 1jup n LYS 60 Ca -0.01 1.14 -0.15 0.00 -2.87 0.00 0.00 58.31 56.42 1jup n LYS 60 Cb 0.03 -1.70 -0.08 0.00 -1.84 0.00 0.00 35.03 31.45 1jup n LYS 60 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 1jup h TRP 61 N 0.00 -0.43 -1.03 2.13 -0.00 -1.48 -1.93 115.95 113.21 1jup h TRP 61 Ca 0.30 -0.01 0.28 0.00 -0.00 0.00 0.00 58.89 59.45 1jup h TRP 61 Cb 0.48 0.14 -0.07 0.00 -0.00 0.00 0.00 29.16 29.72 1jup h TRP 61 CO -0.61 -0.23 0.70 0.37 -0.00 0.00 0.00 178.44 178.67 1jup h GLN 62 N -0.53 0.22 0.04 2.65 5.75 -0.09 0.16 115.11 123.30 1jup h GLN 62 Ca -0.05 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.44 1jup h GLN 62 Cb 0.40 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.90 1jup h GLN 62 CO 0.08 0.14 -0.02 1.49 -2.65 0.00 0.00 178.83 177.87 1jup h GLU 63 N 0.23 -0.06 -1.25 1.69 4.81 -0.93 -3.13 114.58 115.94 1jup h GLU 63 Ca 0.54 0.00 0.36 0.00 -0.13 0.00 0.00 59.36 60.14 1jup h GLU 63 Cb 1.69 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 31.00 1jup h GLU 63 CO -0.16 0.32 0.85 0.37 -0.73 0.00 0.00 179.01 179.66 1jup h GLN 64 N -0.99 0.14 -0.33 1.92 4.15 -0.49 0.32 115.11 119.83 1jup h GLN 64 Ca -0.01 -0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 1jup h GLN 64 Cb 0.40 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.04 1jup h GLN 64 CO 0.01 0.09 0.03 2.35 -1.93 0.00 0.00 178.83 179.39 1jup h TRP 65 N 0.14 0.60 0.58 3.99 -0.00 -0.77 -2.96 115.95 117.53 1jup h TRP 65 Ca 0.67 -0.09 -0.03 0.00 -0.00 0.00 0.00 58.89 59.44 1jup h TRP 65 Cb 2.24 -0.16 0.01 0.00 -0.00 0.00 0.00 29.16 31.25 1jup h TRP 65 CO -0.00 0.65 -0.28 0.87 -0.00 0.00 0.00 178.44 179.68 1jup h LYS 66 N 0.38 -0.75 0.00 2.65 1.57 -0.35 0.57 116.57 120.64 1jup h LYS 66 Ca 0.10 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 1jup h LYS 66 Cb 0.39 0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1jup h LYS 66 CO 0.01 -0.44 0.49 0.87 -0.57 0.00 0.00 179.45 179.80 1jup h LYS 67 N -0.96 0.00 0.00 3.15 1.57 -1.30 -2.35 116.57 116.68 1jup h LYS 67 Ca -0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.57 1jup h LYS 67 Cb 0.65 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 1jup h LYS 67 CO 0.13 0.00 -1.48 0.39 -0.57 0.00 0.00 179.45 177.92 1jup n GLU 68 N -2.04 1.03 0.00 3.15 1.02 -1.01 -4.63 120.64 118.16 1jup n GLU 68 Ca -0.01 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1jup n GLU 68 Cb 0.50 -1.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.75 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 -2.60 0.00 -0.16 3.49 10.64 0.16 -1.07 117.38 127.85 1jup n GLN 69 Ca -0.14 0.20 -0.09 0.00 -1.83 0.00 0.00 57.00 55.14 1jup n GLN 69 Cb 0.68 -1.77 -0.00 0.00 -0.86 0.00 0.00 30.24 28.29 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 1.23 0.00 -0.39 1.08 -1.82 -2.04 117.51 115.57 1jup h ILE 70 Ca 0.00 -0.78 0.00 0.00 -0.39 0.00 0.00 64.86 63.69 1jup h ILE 70 Cb 0.53 0.88 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1jup h ILE 70 CO 0.00 0.28 0.66 0.11 -0.69 0.00 0.00 178.15 178.51 1jup h LYS 71 N 0.59 0.00 -4.57 2.37 6.56 -1.45 -3.33 116.57 116.74 1jup h LYS 71 Ca 0.14 0.00 -0.71 0.00 -1.06 0.00 0.00 60.65 59.02 1jup h LYS 71 Cb 0.29 0.00 -0.24 0.00 -0.57 0.00 0.00 32.23 31.71 1jup h LYS 71 CO -0.00 0.00 -0.50 0.00 -2.06 0.00 0.00 179.45 176.89 1jup s ALA 72 N -3.81 3.31 -0.05 3.86 0.00 -0.77 -5.00 121.76 119.30 1jup s ALA 72 Ca -0.01 -1.74 -0.11 0.00 0.00 0.00 0.00 51.96 50.09 1jup s ALA 72 Cb 0.03 -2.64 -0.06 0.00 0.00 0.00 0.00 23.12 20.45 1jup s ALA 72 CO 0.10 -1.42 0.47 0.87 0.00 0.00 0.00 175.76 175.78 1jup h LYS 73 N 8.46 -0.39 -7.60 0.00 1.57 -1.83 -3.43 116.57 113.36 1jup h LYS 73 Ca -0.25 0.03 -0.46 0.00 -1.87 0.00 0.00 60.65 58.09 1jup h LYS 73 Cb 1.10 0.09 0.11 0.00 0.08 0.00 0.00 32.23 33.61 1jup h LYS 73 CO 0.68 -0.26 0.38 0.95 -0.57 0.00 0.00 179.45 180.63 1jup s THR 74 N -2.86 2.04 0.13 -0.16 -4.23 -1.26 -4.92 115.64 104.38 1jup s THR 74 Ca -0.06 -0.05 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 1jup s THR 74 Cb 0.01 -2.99 -0.20 0.00 1.34 0.00 0.00 72.50 70.65 1jup s THR 74 CO 0.18 0.00 1.29 0.78 -0.54 0.00 0.00 174.62 176.33 1jup h ASN 75 N -1.08 0.13 -0.95 3.99 4.21 -1.91 -1.47 115.58 118.50 1jup h ASN 75 Ca -0.45 -0.13 0.15 0.00 1.21 0.00 0.00 56.30 57.07 1jup h ASN 75 Cb 1.31 -0.04 -0.08 0.00 -1.12 0.00 0.00 38.32 38.39 1jup h ASN 75 CO 0.60 1.05 0.60 -0.09 -1.29 0.00 0.00 177.43 178.30 1jup h ARG 76 N 0.03 0.77 0.01 0.81 2.43 -1.93 0.61 114.38 117.10 1jup h ARG 76 Ca -0.04 -0.05 -0.24 0.00 -0.81 0.00 0.00 59.98 58.84 1jup h ARG 76 Cb 1.72 -0.17 0.02 0.00 -0.42 0.00 0.00 29.97 31.12 1jup h ARG 76 CO 0.14 0.51 -0.95 0.93 -1.51 0.00 0.00 179.97 179.09 1jup h GLU 77 N 0.79 0.63 -0.46 0.20 5.08 -1.93 -3.04 114.58 115.86 1jup h GLU 77 Ca 0.49 -0.69 0.09 0.00 -1.00 0.00 0.00 59.36 58.25 1jup h GLU 77 Cb 0.69 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.04 1jup h GLU 77 CO -0.25 1.28 -0.21 0.87 -1.00 0.00 0.00 179.01 179.70 1jup h LYS 78 N 0.27 -0.11 -0.40 2.33 1.79 0.65 0.23 116.57 121.31 1jup h LYS 78 Ca -0.12 0.01 0.07 0.00 -2.18 0.00 0.00 60.65 58.43 1jup h LYS 78 Cb 1.62 0.03 -0.06 0.00 -1.58 0.00 0.00 32.23 32.23 1jup h LYS 78 CO 0.19 -0.08 -0.00 0.35 -1.08 0.00 0.00 179.45 178.83 1jup h PHE 79 N -0.12 -0.03 -0.33 -1.35 3.57 -0.00 0.47 116.94 119.15 1jup h PHE 79 Ca 0.22 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 1jup h PHE 79 Cb 0.45 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1jup h PHE 79 CO -0.48 -0.08 0.17 1.88 -2.23 0.00 0.00 178.31 177.58 1jup h TYR 80 N 0.10 0.46 -0.52 0.41 0.05 -1.12 -2.78 116.97 113.57 1jup h TYR 80 Ca 0.20 -0.02 -0.04 0.00 0.05 0.00 0.00 58.73 58.92 1jup h TYR 80 Cb 0.28 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 1jup h TYR 80 CO -0.27 0.38 0.16 1.25 -1.05 0.00 0.00 178.16 178.63 1jup h LEU 81 N 0.41 0.76 0.22 3.88 5.85 -0.03 0.00 115.31 126.40 1jup h LEU 81 Ca 0.12 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.64 1jup h LEU 81 Cb 0.08 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1jup h LEU 81 CO -0.02 0.77 -0.29 0.22 -0.34 0.00 0.00 178.44 178.78 1jup h TYR 82 N 0.71 -0.79 -0.89 1.25 3.20 0.05 -0.50 116.97 120.00 1jup h TYR 82 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.04 1jup h TYR 82 Cb 0.28 0.32 -0.04 0.00 1.54 0.00 0.00 36.73 38.82 1jup h TYR 82 CO 0.02 -0.41 0.52 -0.91 -1.64 0.00 0.00 178.16 175.74 1jup h ASN 83 N -0.57 1.08 0.45 -2.11 -0.26 -1.39 -2.50 115.58 110.27 1jup h ASN 83 Ca 0.01 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.65 1jup h ASN 83 Cb 0.55 -0.27 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1jup h ASN 83 CO -0.10 0.84 -0.34 -0.33 -1.06 0.00 0.00 177.43 176.43 1jup h GLU 84 N 1.23 -0.73 -0.95 0.81 5.08 -0.59 -2.65 114.58 116.77 1jup h GLU 84 Ca 0.32 0.05 0.28 0.00 -1.00 0.00 0.00 59.36 59.00 1jup h GLU 84 Cb -0.03 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.35 1jup h GLU 84 CO -0.06 -0.49 0.72 -0.07 -1.00 0.00 0.00 179.01 178.11 1jup h LEU 85 N -0.76 0.00 -0.54 1.33 -0.00 -0.98 -1.97 115.31 112.39 1jup h LEU 85 Ca -0.06 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 57.92 1jup h LEU 85 Cb 0.63 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.22 1jup h LEU 85 CO 0.01 0.00 0.12 0.28 -0.00 0.00 0.00 178.44 178.86 1jup h SER 86 N 0.00 0.03 -0.23 -0.43 0.02 -1.07 -1.21 113.55 110.66 1jup h SER 86 Ca 0.45 0.09 0.07 0.00 -0.84 0.00 0.00 61.79 61.56 1jup h SER 86 Cb 1.89 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 64.55 1jup h SER 86 CO -0.00 0.03 0.16 -0.07 -1.14 0.00 0.00 176.83 175.81 1jup h LEU 87 N 0.26 0.00 0.00 5.07 3.38 -1.40 -3.25 115.31 119.37 1jup h LEU 87 Ca 0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.19 1jup h LEU 87 Cb 0.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jup h LEU 87 CO -0.35 0.00 -1.84 0.35 0.09 0.00 0.00 178.44 176.69 1jup n THR 88 N -4.45 0.19 -1.24 0.22 -2.24 -0.64 -5.03 114.28 101.09 1jup n THR 88 Ca 0.02 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 61.00 1jup n THR 88 Cb 0.31 -0.01 0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1jup n THR 88 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1jup n THR 89 N -2.18 1.51 -0.26 4.28 -1.04 -0.55 -4.90 114.28 111.14 1jup n THR 89 Ca -0.07 -0.41 0.11 0.00 -2.04 0.00 0.00 64.05 61.64 1jup n THR 89 Cb 0.55 -0.64 0.31 0.00 -1.82 0.00 0.00 70.33 68.73 1jup n THR 89 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 1jup n GLU 90 N -0.40 2.68 -4.23 -2.82 0.00 -1.26 -4.83 120.64 109.77 1jup n GLU 90 Ca 0.09 -2.54 -0.24 0.00 0.00 0.00 0.00 57.16 54.47 1jup n GLU 90 Cb 0.50 -1.56 -0.08 0.00 0.00 0.00 0.00 31.44 30.30 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 -1.09 2.61 0.00 -1.84 4.12 -1.26 -4.83 117.35 115.06 1jup s TYR 91 Ca 0.47 -0.43 0.00 0.00 0.02 0.00 0.00 57.07 57.13 1jup s TYR 91 Cb 0.25 -1.59 0.00 0.00 -1.52 0.00 0.00 41.96 39.10 1jup s TYR 91 CO 0.32 0.40 0.00 0.98 0.02 0.00 0.00 175.55 177.27 1jup n TYR 92 N -1.05 0.00 -0.23 2.71 4.19 -1.26 -3.43 117.16 118.08 1jup n TYR 92 Ca -0.03 0.00 0.21 0.00 3.31 0.00 0.00 57.90 61.39 1jup n TYR 92 Cb 0.62 0.00 0.40 0.00 0.49 0.00 0.00 39.34 40.85 1jup n TYR 92 CO 0.00 0.00 0.00 0.66 0.91 0.00 0.00 176.86 178.43 1jup n TYR 93 N 0.00 0.79 -0.26 2.98 4.01 -1.26 -0.28 117.16 123.15 1jup n TYR 93 Ca 0.00 0.86 0.03 0.00 -0.16 0.00 0.00 57.90 58.63 1jup n TYR 93 Cb 0.00 -1.25 0.25 0.00 -0.31 0.00 0.00 39.34 38.04 1jup n TYR 93 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1jup h PRO 94 N 0.00 0.97 -2.01 -0.72 0.11 -1.87 -2.64 132.00 125.83 1jup h PRO 94 Ca 0.59 -0.06 -0.73 0.00 0.11 0.00 0.00 66.00 65.91 1jup h PRO 94 Cb 1.53 -0.22 -0.26 0.00 0.11 0.00 0.00 31.00 32.16 1jup h PRO 94 CO -0.57 0.64 0.98 1.47 -0.21 0.00 0.00 178.00 180.30 1jup n LEU 95 N -4.46 7.38 0.14 2.35 -0.00 0.62 -4.54 117.00 118.48 1jup n LEU 95 Ca 0.11 -4.74 0.09 0.00 -0.00 0.00 0.00 56.01 51.47 1jup n LEU 95 Cb 0.14 -1.10 0.05 0.00 -0.00 0.00 0.00 43.42 42.51 1jup n LEU 95 CO 0.34 1.77 0.30 -0.61 -0.00 0.00 0.00 177.39 179.18 1jup h GLN 96 N 3.04 0.00 0.12 1.47 5.75 -1.58 -3.14 115.11 120.77 1jup h GLN 96 Ca 0.54 0.00 -0.29 0.00 -0.15 0.00 0.00 58.65 58.76 1jup h GLN 96 Cb 0.13 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.68 1jup h GLN 96 CO 1.35 0.11 -1.39 -0.91 -2.65 0.00 0.00 178.83 175.34 1jup h ASN 97 N 0.00 0.38 -0.84 -0.69 2.35 -1.86 -2.70 115.58 112.22 1jup h ASN 97 Ca -0.02 -0.47 0.02 0.00 -0.55 0.00 0.00 56.30 55.27 1jup h ASN 97 Cb 1.13 -0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.33 1jup h ASN 97 CO 0.02 1.38 0.56 0.00 -1.65 0.00 0.00 177.43 177.73 1jup h ALA 98 N 0.56 1.43 0.18 -0.83 0.00 -1.87 0.45 119.26 119.18 1jup h ALA 98 Ca -0.19 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.68 1jup h ALA 98 Cb 1.99 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.44 1jup h ALA 98 CO 0.18 0.51 -0.19 0.82 0.00 0.00 0.00 179.25 180.57 1jup h ILE 99 N 1.10 0.59 0.25 0.00 1.08 -1.49 0.10 117.51 119.14 1jup h ILE 99 Ca 0.32 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.78 1jup h ILE 99 Cb -0.07 0.59 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1jup h ILE 99 CO -0.08 0.00 -0.26 0.40 -0.69 0.00 0.00 178.15 177.52 1jup h ILE 100 N -0.40 0.00 -1.00 -0.67 1.08 -0.85 0.62 117.51 116.29 1jup h ILE 100 Ca 0.00 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.58 1jup h ILE 100 Cb 0.38 0.00 -0.13 0.00 -3.07 0.00 0.00 36.82 34.01 1jup h ILE 100 CO -0.05 0.00 -0.55 1.21 -0.69 0.00 0.00 178.15 178.07 1jup n GLU 101 N -3.90 -0.40 0.02 2.37 2.13 0.14 -1.18 120.64 119.82 1jup n GLU 101 Ca -0.06 1.51 0.05 0.00 0.66 0.00 0.00 57.16 59.33 1jup n GLU 101 Cb 0.23 -2.23 0.46 0.00 0.27 0.00 0.00 31.44 30.17 1jup n GLU 101 CO 0.00 0.00 0.00 0.35 -0.41 0.00 0.00 177.13 177.07 1jup h PHE 102 N 0.00 0.45 0.00 4.31 3.04 -0.84 -1.81 116.94 122.08 1jup h PHE 102 Ca 0.20 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.08 1jup h PHE 102 Cb 0.45 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1jup h PHE 102 CO -1.00 0.28 -0.61 -0.92 -2.02 0.00 0.00 178.31 174.04 1jup h TYR 103 N 0.48 0.00 -0.47 0.41 5.03 0.42 -2.57 116.97 120.26 1jup h TYR 103 Ca 0.15 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.46 1jup h TYR 103 Cb 0.02 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.30 1jup h TYR 103 CO -0.00 0.33 0.00 0.25 -1.32 0.00 0.00 178.16 177.42 1jup n THR 104 N -3.06 1.02 0.00 1.81 -2.24 -0.33 -2.73 114.28 108.75 1jup n THR 104 Ca 0.00 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 1jup n THR 104 Cb 0.68 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 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 0.82 2.65 -0.19 -0.78 2.13 -0.74 -4.65 120.64 119.87 1jup n GLU 105 Ca 0.17 0.00 0.08 0.00 0.66 0.00 0.00 57.16 58.08 1jup n GLU 105 Cb 0.56 -0.93 0.17 0.00 0.27 0.00 0.00 31.44 31.51 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 -1.64 0.32 0.67 4.31 4.02 -0.98 -4.66 117.16 119.21 1jup n TYR 106 Ca 0.00 -0.89 0.10 0.00 -0.01 0.00 0.00 57.90 57.10 1jup n TYR 106 Cb 0.30 -0.19 0.42 0.00 -0.02 0.00 0.00 39.34 39.86 1jup n TYR 106 CO 0.00 0.00 0.00 2.48 -1.01 0.00 0.00 176.86 178.33 1jup n TYR 107 N -0.95 0.06 -1.77 -0.72 4.11 -1.11 -3.04 117.16 113.74 1jup n TYR 107 Ca 0.16 0.02 -0.38 0.00 -0.00 0.00 0.00 57.90 57.70 1jup n TYR 107 Cb 0.67 -0.53 0.04 0.00 -0.00 0.00 0.00 39.34 39.52 1jup n TYR 107 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 1jup n LYS 108 N -1.55 2.69 -3.90 -3.48 5.02 -1.26 -4.91 118.16 110.78 1jup n LYS 108 Ca 0.05 -3.35 -0.08 0.00 -2.02 0.00 0.00 58.31 52.91 1jup n LYS 108 Cb 0.24 -2.25 -0.02 0.00 -0.02 0.00 0.00 35.03 32.98 1jup n LYS 108 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1jup s THR 109 N -4.74 0.00 -0.28 -0.18 -4.23 -1.17 -5.09 115.64 99.94 1jup s THR 109 Ca 0.54 -1.13 0.12 0.00 -1.18 0.00 0.00 61.69 60.04 1jup s THR 109 Cb 0.44 -2.28 -0.15 0.00 1.34 0.00 0.00 72.50 71.85 1jup s THR 109 CO -0.33 0.00 0.37 -3.20 -0.54 0.00 0.00 174.62 170.92 1jup n ASN 110 N -0.71 1.40 0.00 3.99 4.05 -1.26 -4.27 115.26 118.46 1jup n ASN 110 Ca -0.04 -0.39 0.04 0.00 0.45 0.00 0.00 54.58 54.63 1jup n ASN 110 Cb 0.60 1.26 0.21 0.00 1.23 0.00 0.00 39.78 43.08 1jup n ASN 110 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 177.26 173.97 1jup n SER 111 N -1.58 0.00 0.00 1.20 2.88 -1.26 -2.77 113.62 112.08 1jup n SER 111 Ca 0.00 -0.13 0.00 0.00 -1.33 0.00 0.00 58.87 57.41 1jup n SER 111 Cb 0.24 -0.07 0.00 0.00 -0.75 0.00 0.00 64.21 63.63 1jup n SER 111 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1jup n ILE 112 N -1.07 0.00 0.56 2.46 2.08 -1.26 -3.59 119.36 118.54 1jup n ILE 112 Ca 0.05 0.25 0.05 0.00 0.56 0.00 0.00 62.75 63.66 1jup n ILE 112 Cb 0.03 -0.58 0.27 0.00 -0.75 0.00 0.00 39.64 38.61 1jup n ILE 112 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1jup n ASN 113 N -0.27 0.00 -1.48 4.38 3.02 -1.25 0.78 115.26 120.44 1jup n ASN 113 Ca 0.00 -0.26 0.11 0.00 -0.03 0.00 0.00 54.58 54.39 1jup n ASN 113 Cb 0.00 -0.01 0.34 0.00 -0.61 0.00 0.00 39.78 39.50 1jup n ASN 113 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1jup n GLU 114 N -1.01 3.21 0.00 3.52 -0.58 -1.12 -4.17 120.64 120.49 1jup n GLU 114 Ca 0.07 -2.75 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 1jup n GLU 114 Cb 0.03 -1.73 0.00 0.00 -0.57 0.00 0.00 31.44 29.17 1jup n GLU 114 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1jup n LYS 115 N 1.40 0.00 -0.04 3.49 4.76 0.19 -4.96 118.16 123.01 1jup n LYS 115 Ca 0.25 0.00 -0.04 0.00 -2.87 0.00 0.00 58.31 55.65 1jup n LYS 115 Cb 0.75 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.93 1jup n LYS 115 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1jup n MET 116 N 0.00 0.24 -0.16 1.97 1.56 0.23 -4.39 117.12 116.57 1jup n MET 116 Ca 0.00 0.10 0.28 0.00 -0.27 0.00 0.00 57.70 57.81 1jup n MET 116 Cb 0.24 -0.90 0.57 0.00 2.15 0.00 0.00 33.22 35.29 1jup n MET 116 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 1jup h ASN 117 N -0.46 0.00 0.33 6.12 4.21 -1.78 1.14 115.58 125.14 1jup h ASN 117 Ca 0.00 0.00 -0.01 0.00 1.21 0.00 0.00 56.30 57.50 1jup h ASN 117 Cb 0.46 0.00 -0.01 0.00 -1.12 0.00 0.00 38.32 37.66 1jup h ASN 117 CO 0.00 0.00 -0.21 0.07 -1.29 0.00 0.00 177.43 176.00 1jup h LYS 118 N 0.00 -0.51 -0.14 0.81 2.10 -1.87 0.75 116.57 117.71 1jup h LYS 118 Ca 0.44 0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 59.03 1jup h LYS 118 Cb 2.41 0.11 -0.01 0.00 -0.90 0.00 0.00 32.23 33.84 1jup h LYS 118 CO -0.00 -0.34 -0.31 -0.07 -2.00 0.00 0.00 179.45 176.72 1jup h LEU 119 N -0.52 0.28 0.78 7.07 3.38 0.11 -1.05 115.31 125.36 1jup h LEU 119 Ca -0.03 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 1jup h LEU 119 Cb 0.44 -0.08 0.01 0.00 0.09 0.00 0.00 40.66 41.12 1jup h LEU 119 CO 0.03 0.59 -0.38 -0.08 0.09 0.00 0.00 178.44 178.69 1jup h GLU 120 N 0.24 -1.01 -0.00 1.13 4.81 -0.89 -2.00 114.58 116.85 1jup h GLU 120 Ca 0.03 0.07 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1jup h GLU 120 Cb 0.68 0.23 -0.00 0.00 0.63 0.00 0.00 28.75 30.29 1jup h GLU 120 CO 0.05 -0.67 -0.05 -0.91 -0.73 0.00 0.00 179.01 176.71 1jup h ASN 121 N -1.10 0.00 0.82 1.04 4.21 -0.82 0.16 115.58 119.90 1jup h ASN 121 Ca -0.11 -0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.40 1jup h ASN 121 Cb 0.82 -0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.01 1jup h ASN 121 CO 0.18 0.05 0.00 0.50 -1.29 0.00 0.00 177.43 176.87 1jup h LYS 122 N 0.01 0.00 0.00 0.81 3.64 -0.95 -3.05 116.57 117.02 1jup h LYS 122 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1jup h LYS 122 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jup h LYS 122 CO 0.01 0.00 -0.84 0.98 -2.27 0.00 0.00 179.45 177.32 1jup n TYR 123 N -2.68 0.04 0.00 1.91 9.36 0.32 -4.30 117.16 121.81 1jup n TYR 123 Ca 0.01 0.02 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1jup n TYR 123 Cb 0.25 -0.45 0.00 0.00 -0.63 0.00 0.00 39.34 38.52 1jup n TYR 123 CO 0.00 0.00 0.00 0.44 0.22 0.00 0.00 176.86 177.52 1jup n ILE 124 N -4.20 0.00 0.05 2.97 -6.64 0.23 -2.17 119.36 109.61 1jup n ILE 124 Ca -0.12 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.71 1jup n ILE 124 Cb 0.44 -0.86 -0.06 0.00 -1.44 0.00 0.00 39.64 37.72 1jup n ILE 124 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 1jup h ASP 125 N 0.00 0.66 -0.87 7.28 3.58 -1.72 -2.70 116.42 122.65 1jup h ASP 125 Ca 0.00 -0.51 0.15 0.00 0.42 0.00 0.00 57.03 57.09 1jup h ASP 125 Cb 0.00 -0.20 -0.09 0.00 1.72 0.00 0.00 39.33 40.76 1jup h ASP 125 CO 0.00 1.31 0.47 0.00 -2.88 0.00 0.00 179.24 178.13 1jup h ALA 126 N 0.65 1.32 0.00 -0.78 0.00 -1.70 0.11 119.26 118.86 1jup h ALA 126 Ca -0.09 0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1jup h ALA 126 Cb 1.58 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1jup h ALA 126 CO 0.17 -0.06 -0.02 1.88 0.00 0.00 0.00 179.25 181.22 1jup h TYR 127 N 0.67 0.00 0.12 0.00 0.05 -1.76 -2.93 116.97 113.12 1jup h TYR 127 Ca 0.47 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 59.25 1jup h TYR 127 Cb 0.65 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.40 1jup h TYR 127 CO -0.08 0.02 -0.06 1.25 -1.05 0.00 0.00 178.16 178.25 1jup h HIS 128 N 0.00 -0.15 -0.35 4.88 2.76 -0.45 -2.81 115.15 119.03 1jup h HIS 128 Ca -0.00 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.00 1jup h HIS 128 Cb 0.72 0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 1jup h HIS 128 CO 0.00 0.05 -0.43 0.28 -1.30 0.00 0.00 177.93 176.53 1jup h VAL 129 N -0.33 1.27 -0.24 5.26 2.07 -1.47 -0.33 116.25 122.48 1jup h VAL 129 Ca -0.02 -1.61 -0.05 0.00 0.82 0.00 0.00 66.70 65.84 1jup h VAL 129 Cb 0.27 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1jup h VAL 129 CO 0.03 0.53 -0.09 0.40 0.02 0.00 0.00 177.57 178.46 1jup h ILE 130 N 0.71 1.20 0.00 4.57 1.08 -1.57 0.14 117.51 123.63 1jup h ILE 130 Ca 0.04 -0.83 -0.00 0.00 -0.39 0.00 0.00 64.86 63.68 1jup h ILE 130 Cb 1.03 1.11 -0.00 0.00 -3.07 0.00 0.00 36.82 35.90 1jup h ILE 130 CO 0.10 0.27 -0.02 -0.26 -0.69 0.00 0.00 178.15 177.56 1jup h PHE 131 N 0.36 0.00 -0.87 1.37 0.04 -1.45 -1.72 116.94 114.67 1jup h PHE 131 Ca 0.07 0.00 0.18 0.00 2.80 0.00 0.00 57.97 61.02 1jup h PHE 131 Cb 0.39 0.00 -0.11 0.00 2.20 0.00 0.00 35.95 38.43 1jup h PHE 131 CO 0.01 0.16 0.42 -0.22 -0.60 0.00 0.00 178.31 178.08 1jup h LYS 132 N -1.00 0.52 0.09 1.51 1.63 -1.08 0.97 116.57 119.22 1jup h LYS 132 Ca -0.00 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 1jup h LYS 132 Cb 0.17 -0.12 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 1jup h LYS 132 CO -0.00 0.35 -0.04 1.49 -3.45 0.00 0.00 179.45 177.79 1jup h GLU 133 N 0.54 -0.12 0.00 1.90 4.57 -0.83 -1.04 114.58 119.60 1jup h GLU 133 Ca 0.50 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.69 1jup h GLU 133 Cb 0.82 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.43 1jup h GLU 133 CO -0.43 0.03 0.18 0.41 -1.18 0.00 0.00 179.01 178.02 1jup n GLY 134 N -0.82 -0.63 0.09 1.92 0.00 0.21 -0.14 105.19 105.82 1jup n GLY 134 Ca -0.08 0.12 -0.19 0.00 0.00 0.00 0.00 46.02 45.87 1jup n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jup h ASN 135 N 0.00 0.07 0.20 1.61 2.35 0.09 0.54 115.58 120.44 1jup h ASN 135 Ca 0.00 -0.76 0.01 0.00 -0.55 0.00 0.00 56.30 55.00 1jup h ASN 135 Cb 0.36 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1jup h ASN 135 CO 0.00 1.32 -0.24 -0.07 -1.65 0.00 0.00 177.43 176.80 1jup h LEU 136 N -0.87 -0.65 0.00 1.61 4.07 0.01 0.01 115.31 119.50 1jup h LEU 136 Ca -0.20 0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.82 1jup h LEU 136 Cb 1.27 0.23 0.00 0.00 1.08 0.00 0.00 40.66 43.24 1jup h LEU 136 CO -0.08 -0.34 0.00 0.59 -1.08 0.00 0.00 178.44 177.53 1jup n ASN 137 N -5.36 0.00 -3.26 -0.43 4.13 0.81 -4.83 115.26 106.32 1jup n ASN 137 Ca -0.08 0.47 -0.18 0.00 1.68 0.00 0.00 54.58 56.48 1jup n ASN 137 Cb 0.27 -0.48 0.08 0.00 -1.54 0.00 0.00 39.78 38.11 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 -0.82 -0.33 0.06 7.41 0.00 -0.01 -4.87 105.19 106.64 1jup n GLY 138 Ca 0.02 0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 -4.11 0.18 -3.04 1.61 1.02 0.18 -5.00 120.64 111.48 1jup n GLU 139 Ca -0.18 -0.13 0.00 0.00 -0.02 0.00 0.00 57.16 56.84 1jup n GLU 139 Cb 0.62 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.55 1jup n GLU 139 CO 0.00 0.00 0.00 -2.67 1.18 0.00 0.00 177.13 175.64 1jup n TRP 140 N -1.30 0.00 -3.71 -0.32 2.14 -0.91 -5.01 117.44 108.33 1jup n TRP 140 Ca 0.06 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.34 1jup n TRP 140 Cb 0.35 0.00 -0.13 0.00 -0.81 0.00 0.00 31.31 30.72 1jup n TRP 140 CO 0.00 0.00 0.00 0.45 2.07 0.00 0.00 177.69 180.21 1jup s SER 141 N -0.65 3.57 -0.45 -0.67 0.15 -1.26 -4.33 113.70 110.07 1jup s SER 141 Ca 0.00 -2.87 -0.18 0.00 0.70 0.00 0.00 55.95 53.60 1jup s SER 141 Cb 0.00 -1.07 0.04 0.00 -1.71 0.00 0.00 66.02 63.27 1jup s SER 141 CO 0.00 -0.23 0.49 -0.63 1.20 0.00 0.00 173.24 174.07 1jup s ILE 142 N 0.03 5.04 0.14 6.45 -1.09 -1.26 -4.94 121.20 125.57 1jup s ILE 142 Ca 0.21 -0.46 0.11 0.00 -2.23 0.00 0.00 60.65 58.28 1jup s ILE 142 Cb -0.18 -4.12 -0.06 0.00 -1.58 0.00 0.00 42.46 36.52 1jup s ILE 142 CO -0.05 -0.54 1.48 -0.55 -1.23 0.00 0.00 174.94 174.05 1jup h ASN 143 N 8.80 0.00 -0.38 3.58 7.08 -1.98 -3.34 115.58 129.35 1jup h ASN 143 Ca -0.27 0.00 -0.28 0.00 -3.08 0.00 0.00 56.30 52.67 1jup h ASN 143 Cb 1.11 0.00 -0.22 0.00 -2.08 0.00 0.00 38.32 37.13 1jup h ASN 143 CO 0.85 0.71 -0.66 -0.90 -2.08 0.00 0.00 177.43 175.35 1jup n ASP 144 N -3.50 3.34 0.00 6.14 3.85 -1.26 -4.96 116.55 120.15 1jup n ASP 144 Ca -0.00 -3.83 0.00 0.00 -0.71 0.00 0.00 54.79 50.25 1jup n ASP 144 Cb 0.74 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 40.08 1jup n ASP 144 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.20 176.71 1jup n VAL 145 N -0.91 0.00 -0.30 2.12 0.31 -1.26 0.16 118.33 118.46 1jup n VAL 145 Ca 0.32 0.00 0.31 0.00 -0.01 0.00 0.00 64.34 64.96 1jup n VAL 145 Cb 0.83 0.00 0.69 0.00 -0.91 0.00 0.00 33.84 34.46 1jup n VAL 145 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1jup h ASN 146 N 0.00 0.10 0.19 4.52 -0.00 -1.93 0.92 115.58 119.38 1jup h ASN 146 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.31 1jup h ASN 146 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 1jup h ASN 146 CO 0.00 0.02 -0.09 0.00 -0.00 0.00 0.00 177.43 177.36 1jup h ALA 147 N 1.48 -0.26 -1.05 1.57 0.00 0.12 -3.23 119.26 117.89 1jup h ALA 147 Ca 0.55 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.63 1jup h ALA 147 Cb 2.00 0.10 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 1jup h ALA 147 CO -0.07 -0.25 0.68 0.28 0.00 0.00 0.00 179.25 179.89 1jup h VAL 148 N -1.04 0.50 0.53 0.00 2.07 -1.37 0.63 116.25 117.57 1jup h VAL 148 Ca -0.03 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.35 1jup h VAL 148 Cb 0.29 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 1jup h VAL 148 CO 0.04 0.07 -0.32 0.28 0.02 0.00 0.00 177.57 177.66 1jup h SER 149 N 0.37 -0.81 -0.77 0.57 0.02 -0.91 -0.70 113.55 111.32 1jup h SER 149 Ca 0.60 0.05 0.08 0.00 -0.84 0.00 0.00 61.79 61.68 1jup h SER 149 Cb 1.56 0.24 -0.06 0.00 0.14 0.00 0.00 62.40 64.28 1jup h SER 149 CO -0.30 -0.51 0.44 0.11 -1.14 0.00 0.00 176.83 175.43 1jup h LYS 150 N -0.81 0.75 0.12 3.45 1.57 -0.92 0.17 116.57 120.90 1jup h LYS 150 Ca -0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 1jup h LYS 150 Cb 0.66 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1jup h LYS 150 CO 0.06 0.50 -0.06 0.82 -0.57 0.00 0.00 179.45 180.20 1jup h ILE 151 N 0.77 0.00 -0.99 1.86 2.04 -1.12 -1.28 117.51 118.80 1jup h ILE 151 Ca 0.36 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.45 1jup h ILE 151 Cb 0.27 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 36.16 1jup h ILE 151 CO -0.21 0.00 -0.11 0.00 0.00 0.00 0.00 178.15 177.83 1jup n ALA 152 N -2.09 0.38 -0.27 1.87 0.00 -0.29 0.18 120.51 120.29 1jup n ALA 152 Ca -0.02 1.08 -0.06 0.00 0.00 0.00 0.00 53.44 54.44 1jup n ALA 152 Cb 0.06 -0.72 0.07 0.00 0.00 0.00 0.00 19.45 18.87 1jup n ALA 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jup h ALA 153 N 1.98 1.03 0.02 0.00 0.00 -0.89 0.28 119.26 121.68 1jup h ALA 153 Ca 0.54 -0.21 -0.24 0.00 0.00 0.00 0.00 54.91 55.00 1jup h ALA 153 Cb 0.99 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 1jup h ALA 153 CO -0.98 0.66 -1.24 -0.91 0.00 0.00 0.00 179.25 176.79 1jup h ASN 154 N 1.11 0.05 -0.45 0.00 -0.26 0.29 0.86 115.58 117.18 1jup h ASN 154 Ca 0.25 -0.06 -0.07 0.00 -0.56 0.00 0.00 56.30 55.86 1jup h ASN 154 Cb 0.27 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.50 1jup h ASN 154 CO -0.01 1.05 0.02 0.00 -1.06 0.00 0.00 177.43 177.43 1jup h ALA 155 N 0.94 0.60 -0.21 -0.83 0.00 -0.19 -1.87 119.26 117.70 1jup h ALA 155 Ca -0.11 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1jup h ALA 155 Cb 1.86 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1jup h ALA 155 CO 0.12 0.37 -0.00 0.28 0.00 0.00 0.00 179.25 180.02 1jup h VAL 156 N 0.62 1.26 -0.72 0.00 2.07 -0.93 -2.02 116.25 116.53 1jup h VAL 156 Ca 0.13 -0.88 0.15 0.00 0.82 0.00 0.00 66.70 66.92 1jup h VAL 156 Cb 0.47 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 1jup h VAL 156 CO 0.02 0.27 0.49 -1.13 0.02 0.00 0.00 177.57 177.24 1jup h ASN 157 N 0.13 0.31 0.63 0.57 -0.00 -0.75 -1.58 115.58 114.89 1jup h ASN 157 Ca 0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.35 1jup h ASN 157 Cb 0.40 -0.04 0.01 0.00 -0.00 0.00 0.00 38.32 38.68 1jup h ASN 157 CO 0.01 0.16 -0.30 1.23 -0.00 0.00 0.00 177.43 178.53 1jup h GLY 158 N 0.33 -0.88 0.23 1.57 0.00 -0.65 -0.33 103.07 103.33 1jup h GLY 158 Ca 0.35 0.33 0.19 0.00 0.00 0.00 0.00 47.33 48.19 1jup h GLY 158 CO -0.09 -0.32 0.61 -2.22 0.00 0.00 0.00 176.54 174.52 1jup h ILE 159 N -1.06 0.73 0.09 2.60 2.04 -0.82 0.59 117.51 121.67 1jup h ILE 159 Ca -0.09 -0.24 -0.00 0.00 1.00 0.00 0.00 64.86 65.53 1jup h ILE 159 Cb 0.69 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1jup h ILE 159 CO 0.14 0.13 -0.04 0.58 0.00 0.00 0.00 178.15 178.96 1jup h VAL 160 N 0.69 1.17 -0.33 1.67 2.07 -1.25 -3.25 116.25 117.02 1jup h VAL 160 Ca 0.54 -1.23 -0.06 0.00 0.82 0.00 0.00 66.70 66.76 1jup h VAL 160 Cb 0.93 1.92 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 1jup h VAL 160 CO -0.30 0.29 -0.04 0.74 0.02 0.00 0.00 177.57 178.27 1jup h THR 161 N -0.71 1.27 0.00 2.57 2.02 -0.70 -3.28 112.91 114.08 1jup h THR 161 Ca -0.01 -1.06 0.00 0.00 0.77 0.00 0.00 66.41 66.11 1jup h THR 161 Cb 0.56 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 68.27 1jup h THR 161 CO 0.02 0.34 0.00 0.49 0.37 0.00 0.00 175.52 176.74 1jup n PHE 162 N -4.48 0.00 -0.15 3.16 3.72 0.17 -3.28 117.46 116.59 1jup n PHE 162 Ca -0.02 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.43 1jup n PHE 162 Cb 0.30 -0.48 0.14 0.00 -0.94 0.00 0.00 39.48 38.50 1jup n PHE 162 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jup n THR 163 N -1.48 0.99 -2.18 4.37 -2.24 -1.22 -4.96 114.28 107.55 1jup n THR 163 Ca 0.06 -0.99 -0.30 0.00 -2.27 0.00 0.00 64.05 60.55 1jup n THR 163 Cb 0.27 0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.97 1jup n THR 163 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1jup s HIS 164 N -1.00 1.99 0.00 4.78 5.04 -1.20 -2.65 115.29 122.25 1jup s HIS 164 Ca 0.21 0.25 0.00 0.00 -1.54 0.00 0.00 55.06 53.98 1jup s HIS 164 Cb 0.11 -4.21 0.00 0.00 0.04 0.00 0.00 32.58 28.52 1jup s HIS 164 CO 0.14 -1.80 0.00 -0.85 -2.34 0.00 0.00 174.74 169.90 1jup n GLU 165 N 8.87 0.00 -4.36 2.88 -0.00 -1.26 -5.13 120.64 121.63 1jup n GLU 165 Ca 0.38 0.00 -0.26 0.00 -0.00 0.00 0.00 57.16 57.29 1jup n GLU 165 Cb 0.48 0.00 -0.09 0.00 -0.00 0.00 0.00 31.44 31.83 1jup n GLU 165 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.13 178.27 1jup s GLN 166 N 0.00 2.08 -0.37 3.44 -2.07 -1.09 -5.05 119.66 116.61 1jup s GLN 166 Ca 0.00 -1.90 -0.37 0.00 -1.82 0.00 0.00 55.36 51.27 1jup s GLN 166 Cb 0.00 -1.85 -0.13 0.00 -1.09 0.00 0.00 33.01 29.94 1jup s GLN 166 CO 0.00 -0.00 2.13 -1.71 -1.32 0.00 0.00 175.29 174.39 1jup n ASN 167 N -1.04 1.92 0.31 12.60 2.85 -1.26 -4.82 115.26 125.81 1jup n ASN 167 Ca -0.03 0.54 0.06 0.00 -0.11 0.00 0.00 54.58 55.03 1jup n ASN 167 Cb 0.65 -1.18 0.32 0.00 1.24 0.00 0.00 39.78 40.80 1jup n ASN 167 CO 0.00 0.00 0.00 -0.29 -2.11 0.00 0.00 177.26 174.86 1jup h ILE 168 N 6.86 0.00 0.00 -1.44 2.10 -1.96 0.88 117.51 123.95 1jup h ILE 168 Ca -0.26 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.68 1jup h ILE 168 Cb 1.34 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 37.33 1jup h ILE 168 CO 1.03 0.00 -0.42 0.59 -1.08 0.00 0.00 178.15 178.26 1jup n ASN 169 N -2.54 0.47 -0.01 2.19 4.13 -1.26 -2.92 115.26 115.32 1jup n ASN 169 Ca -0.01 0.01 -0.16 0.00 1.68 0.00 0.00 54.58 56.10 1jup n ASN 169 Cb 0.70 0.05 -0.14 0.00 -1.54 0.00 0.00 39.78 38.86 1jup n ASN 169 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1jup n GLU 170 N -1.68 0.71 -0.15 3.52 2.13 0.30 -2.34 120.64 123.13 1jup n GLU 170 Ca 0.05 0.27 -0.08 0.00 0.66 0.00 0.00 57.16 58.06 1jup n GLU 170 Cb 0.37 -1.74 0.01 0.00 0.27 0.00 0.00 31.44 30.34 1jup n GLU 170 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1jup h ARG 171 N 0.04 0.64 -0.48 5.31 2.47 -1.61 0.57 114.38 121.32 1jup h ARG 171 Ca -0.37 -0.08 -0.05 0.00 -1.26 0.00 0.00 59.98 58.22 1jup h ARG 171 Cb 2.03 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 30.20 1jup h ARG 171 CO 0.08 0.51 0.08 0.82 0.56 0.00 0.00 179.97 182.02 1jup h ILE 172 N 0.60 1.22 0.03 2.04 2.04 -1.64 0.24 117.51 122.04 1jup h ILE 172 Ca 0.16 -0.83 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1jup h ILE 172 Cb 0.06 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 36.91 1jup h ILE 172 CO -0.03 0.30 -0.02 0.11 0.00 0.00 0.00 178.15 178.52 1jup h LYS 173 N 0.71 -0.04 -0.45 2.37 1.79 -0.74 -2.23 116.57 117.98 1jup h LYS 173 Ca 0.15 0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.67 1jup h LYS 173 Cb 0.32 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.94 1jup h LYS 173 CO 0.00 0.36 0.20 -0.07 -1.08 0.00 0.00 179.45 178.87 1jup h LEU 174 N -0.46 0.28 -1.71 2.94 3.38 0.29 -1.77 115.31 118.26 1jup h LEU 174 Ca -0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jup h LEU 174 Cb 0.42 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1jup h LEU 174 CO 0.01 0.20 0.19 -0.03 0.09 0.00 0.00 178.44 178.90 1jup h MET 175 N 0.41 0.39 -0.00 1.13 4.05 -0.53 -1.74 114.93 118.64 1jup h MET 175 Ca 0.20 -0.02 -0.25 0.00 -0.28 0.00 0.00 59.70 59.35 1jup h MET 175 Cb 0.14 -0.09 0.02 0.00 -0.80 0.00 0.00 31.60 30.87 1jup h MET 175 CO -0.16 0.26 -0.97 -0.91 0.23 0.00 0.00 176.91 175.36 1jup h ASN 176 N 0.40 0.85 -0.71 1.39 2.35 -0.77 -2.05 115.58 117.03 1jup h ASN 176 Ca 0.11 -0.74 0.03 0.00 -0.55 0.00 0.00 56.30 55.15 1jup h ASN 176 Cb -0.04 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.03 1jup h ASN 176 CO -0.02 1.48 0.47 0.50 -1.65 0.00 0.00 177.43 178.21 1jup h LYS 177 N 0.31 0.85 0.41 0.81 1.63 -0.92 -1.01 116.57 118.64 1jup h LYS 177 Ca -0.12 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.61 1jup h LYS 177 Cb 1.63 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 33.07 1jup h LYS 177 CO 0.19 0.56 -0.20 0.35 -3.45 0.00 0.00 179.45 176.90 1jup h PHE 178 N 0.87 -0.51 -1.22 1.91 3.57 -1.31 -1.65 116.94 118.60 1jup h PHE 178 Ca 0.28 -0.01 0.42 0.00 3.53 0.00 0.00 57.97 62.19 1jup h PHE 178 Cb 0.05 0.17 -0.12 0.00 2.79 0.00 0.00 35.95 38.83 1jup h PHE 178 CO -0.00 -0.32 0.78 0.43 -2.23 0.00 0.00 178.31 176.97 1jup n SER 179 N -4.05 0.19 0.00 0.41 7.64 -0.77 -0.57 113.62 116.46 1jup n SER 179 Ca -0.07 1.24 0.00 0.00 1.01 0.00 0.00 58.87 61.05 1jup n SER 179 Cb 0.22 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1jup n SER 179 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1jup n GLN 180 N -4.50 0.00 -0.34 1.43 7.27 -0.41 -2.28 117.38 118.55 1jup n GLN 180 Ca 0.36 0.35 0.33 0.00 0.07 0.00 0.00 57.00 58.10 1jup n GLN 180 Cb 1.39 -1.07 0.59 0.00 2.41 0.00 0.00 30.24 33.56 1jup n GLN 180 CO 0.00 0.00 0.00 -0.89 0.07 0.00 0.00 177.06 176.24 1jup n ILE 181 N -1.54 -0.37 0.28 1.69 5.41 0.27 -0.78 119.36 124.32 1jup n ILE 181 Ca 0.00 1.91 -0.12 0.00 1.00 0.00 0.00 62.75 65.55 1jup n ILE 181 Cb 0.00 -3.12 -0.06 0.00 -0.71 0.00 0.00 39.64 35.76 1jup n ILE 181 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 176.55 176.70 1jup h PHE 182 N 0.00 -0.72 -0.92 1.39 3.57 -0.95 -1.43 116.94 117.88 1jup h PHE 182 Ca 0.83 -0.02 0.21 0.00 3.53 0.00 0.00 57.97 62.52 1jup h PHE 182 Cb 2.30 0.24 -0.07 0.00 2.79 0.00 0.00 35.95 41.21 1jup h PHE 182 CO -0.01 -0.45 0.61 -0.07 -2.23 0.00 0.00 178.31 176.16 1jup h LEU 183 N -1.17 0.41 -0.19 0.59 3.38 -0.66 -1.53 115.31 116.14 1jup h LEU 183 Ca -0.08 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 1jup h LEU 183 Cb 0.59 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1jup h LEU 183 CO 0.13 0.16 0.00 -1.13 0.09 0.00 0.00 178.44 177.69 1jup h ASN 184 N 0.41 0.32 0.29 -0.43 -1.24 -0.84 -2.58 115.58 111.52 1jup h ASN 184 Ca 0.48 -0.31 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1jup h ASN 184 Cb 1.21 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.17 1jup h ASN 184 CO -0.19 0.55 0.00 0.61 -1.29 0.00 0.00 177.43 177.12 1jup n GLY 185 N -0.31 -0.95 0.09 1.57 0.00 -0.55 -2.97 105.19 102.08 1jup n GLY 185 Ca -0.05 0.10 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 1jup n GLY 185 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jup h LEU 186 N 0.00 0.22 0.00 0.99 3.38 -1.28 -3.52 115.31 115.11 1jup h LEU 186 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1jup h LEU 186 Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1jup h LEU 186 CO 0.00 1.14 0.00 -1.54 0.09 0.00 0.00 178.44 178.13