#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jac s VAL 2 N 0.00 3.68 0.87 1.12 1.01 -1.26 -5.00 120.40 120.82 2jac s VAL 2 Ca 0.00 1.38 -0.12 0.00 0.00 0.00 0.00 61.98 63.24 2jac s VAL 2 Cb 0.00 -3.88 0.11 0.00 0.00 0.00 0.00 36.38 32.61 2jac s VAL 2 CO 0.00 0.21 1.14 -1.54 0.00 0.00 0.00 175.10 174.91 2jac n SER 3 N 2.69 0.56 0.21 3.32 3.41 -1.26 -4.86 113.62 117.69 2jac n SER 3 Ca 0.05 0.50 0.08 0.00 -0.26 0.00 0.00 58.87 59.23 2jac n SER 3 Cb 0.45 -1.48 0.41 0.00 -0.26 0.00 0.00 64.21 63.33 2jac n SER 3 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2jac h GLN 4 N -1.40 0.00 -0.49 4.33 1.08 -1.99 -2.49 115.11 114.15 2jac h GLN 4 Ca -0.45 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 56.64 2jac h GLN 4 Cb 1.29 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 2jac h GLN 4 CO 0.43 0.30 -0.14 1.49 -0.95 0.00 0.00 178.83 179.96 2jac h GLU 5 N 0.00 0.95 -0.42 1.46 4.22 -1.99 -0.95 114.58 117.85 2jac h GLU 5 Ca -0.00 -0.38 -0.06 0.00 0.08 0.00 0.00 59.36 59.00 2jac h GLU 5 Cb 0.79 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 2jac h GLU 5 CO 0.04 1.04 0.03 1.15 -2.18 0.00 0.00 179.01 179.09 2jac h THR 6 N 0.81 1.25 -0.27 0.32 2.02 -1.84 -0.68 112.91 114.51 2jac h THR 6 Ca 0.12 -0.96 0.03 0.00 0.77 0.00 0.00 66.41 66.37 2jac h THR 6 Cb 0.71 1.05 -0.03 0.00 -1.74 0.00 0.00 68.15 68.13 2jac h THR 6 CO 0.05 0.33 0.07 0.40 0.37 0.00 0.00 175.52 176.74 2jac h ILE 7 N 0.57 0.89 -0.68 3.11 1.08 -1.30 -1.64 117.51 119.54 2jac h ILE 7 Ca 0.12 -0.06 -0.00 0.00 -0.39 0.00 0.00 64.86 64.53 2jac h ILE 7 Cb 0.44 0.70 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 2jac h ILE 7 CO 0.02 0.03 0.41 0.50 -0.69 0.00 0.00 178.15 178.41 2jac h LYS 8 N 0.18 0.92 -0.08 2.37 3.64 -0.98 -1.34 116.57 121.28 2jac h LYS 8 Ca 0.12 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2jac h LYS 8 Cb 0.12 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2jac h LYS 8 CO -0.15 0.66 -0.00 1.25 -2.27 0.00 0.00 179.45 178.93 2jac h HIS 9 N 0.92 -0.01 -0.56 1.91 2.76 -0.72 -0.38 115.15 119.08 2jac h HIS 9 Ca 0.24 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.40 2jac h HIS 9 Cb -0.03 0.02 -0.03 0.00 1.55 0.00 0.00 27.41 28.93 2jac h HIS 9 CO -0.01 -0.01 0.28 0.28 -1.30 0.00 0.00 177.93 177.16 2jac h VAL 10 N 0.02 1.20 -0.86 5.26 2.07 -1.11 -0.70 116.25 122.13 2jac h VAL 10 Ca 0.04 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2jac h VAL 10 Cb 0.04 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.31 2jac h VAL 10 CO -0.06 0.22 0.52 0.11 0.02 0.00 0.00 177.57 178.38 2jac h LYS 11 N 0.75 1.16 -0.43 1.57 1.57 -1.04 -1.64 116.57 118.52 2jac h LYS 11 Ca 0.19 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2jac h LYS 11 Cb 0.10 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 2jac h LYS 11 CO -0.03 0.81 0.02 -0.44 -0.57 0.00 0.00 179.45 179.24 2jac h ASP 12 N 1.18 0.72 -0.45 0.86 3.32 -0.48 -1.80 116.42 119.77 2jac h ASP 12 Ca 0.31 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 57.01 2jac h ASP 12 Cb -0.06 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.27 2jac h ASP 12 CO -0.06 0.84 0.10 -0.07 -1.72 0.00 0.00 179.24 178.32 2jac h LEU 13 N 0.58 0.75 -0.64 1.55 3.38 -0.79 -0.53 115.31 119.61 2jac h LEU 13 Ca 0.12 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2jac h LEU 13 Cb 0.45 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2jac h LEU 13 CO 0.02 0.75 0.01 0.40 0.09 0.00 0.00 178.44 179.71 2jac h ILE 14 N 0.76 1.27 0.00 1.22 2.04 -1.12 -3.04 117.51 118.64 2jac h ILE 14 Ca 0.16 -1.14 -0.15 0.00 1.00 0.00 0.00 64.86 64.74 2jac h ILE 14 Cb 0.32 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2jac h ILE 14 CO 0.00 0.42 -0.70 0.00 0.00 0.00 0.00 178.15 177.87 2jac h ALA 15 N 1.01 0.76 -0.03 1.87 0.00 -0.93 -3.26 119.26 118.68 2jac h ALA 15 Ca 0.18 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2jac h ALA 15 Cb 0.55 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2jac h ALA 15 CO 0.03 0.87 0.00 0.39 0.00 0.00 0.00 179.25 180.54 2jac n GLU 16 N -3.58 1.49 -4.22 0.00 1.02 -0.24 -4.81 120.64 110.31 2jac n GLU 16 Ca -0.00 -0.72 -0.23 0.00 -0.02 0.00 0.00 57.16 56.18 2jac n GLU 16 Cb 0.71 -1.46 -0.17 0.00 -0.02 0.00 0.00 31.44 30.50 2jac n GLU 16 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2jac s ASN 17 N -1.92 1.47 0.28 1.62 0.01 -1.16 -5.03 114.94 110.21 2jac s ASN 17 Ca 0.39 -0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.34 2jac s ASN 17 Cb 0.20 -0.63 0.60 0.00 0.41 0.00 0.00 41.25 41.83 2jac s ASN 17 CO 0.33 -0.05 1.77 -0.33 -1.51 0.00 0.00 177.10 177.31 2jac h GLU 18 N 7.38 0.66 -4.77 -0.60 5.08 -1.85 -3.39 114.58 117.10 2jac h GLU 18 Ca -0.33 -0.04 -0.48 0.00 -1.00 0.00 0.00 59.36 57.51 2jac h GLU 18 Cb 1.16 -0.15 -0.32 0.00 0.50 0.00 0.00 28.75 29.94 2jac h GLU 18 CO 0.44 0.44 -0.81 0.42 -1.00 0.00 0.00 179.01 178.50 2jac s ILE 19 N -5.93 1.02 -0.10 3.13 1.01 -0.41 0.73 121.20 120.64 2jac s ILE 19 Ca -0.12 -0.48 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2jac s ILE 19 Cb 0.23 -0.91 0.01 0.00 0.01 0.00 0.00 42.46 41.80 2jac s ILE 19 CO 0.79 0.31 -0.19 0.12 0.00 0.00 0.00 174.94 175.97 2jac s PHE 20 N 0.26 2.19 -0.19 3.97 5.36 -0.30 -0.94 117.98 128.33 2jac s PHE 20 Ca -0.06 -0.95 -0.02 0.00 -0.96 0.00 0.00 56.93 54.94 2jac s PHE 20 Cb -0.11 -1.51 0.06 0.00 -0.34 0.00 0.00 43.02 41.11 2jac s PHE 20 CO 0.02 -0.43 0.01 0.08 -1.46 0.00 0.00 175.22 173.43 2jac s VAL 21 N 0.65 0.74 -0.17 3.12 1.01 0.18 -1.08 120.40 124.86 2jac s VAL 21 Ca -0.13 -0.63 -0.25 0.00 0.00 0.00 0.00 61.98 60.97 2jac s VAL 21 Cb -0.16 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.05 2jac s VAL 21 CO 0.03 -0.12 0.84 0.00 0.00 0.00 0.00 175.10 175.85 2jac s ALA 22 N 1.77 3.51 0.36 5.51 0.00 -0.67 -1.11 121.76 131.12 2jac s ALA 22 Ca -0.01 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.07 2jac s ALA 22 Cb -0.17 -3.24 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2jac s ALA 22 CO -0.07 -0.64 0.25 0.45 0.00 0.00 0.00 175.76 175.74 2jac s SER 23 N 1.15 2.05 -0.04 0.00 0.15 0.19 -1.37 113.70 115.84 2jac s SER 23 Ca 0.39 -1.76 -0.02 0.00 0.70 0.00 0.00 55.95 55.25 2jac s SER 23 Cb -0.17 0.57 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 2jac s SER 23 CO 0.13 -1.05 0.08 -0.54 1.20 0.00 0.00 173.24 173.06 2jac s LYS 24 N -3.48 0.05 0.39 5.44 1.02 -1.26 -0.38 119.74 121.52 2jac s LYS 24 Ca 0.36 0.21 0.15 0.00 0.02 0.00 0.00 55.97 56.71 2jac s LYS 24 Cb 0.02 -0.11 1.01 0.00 -0.52 0.00 0.00 37.83 38.24 2jac s LYS 24 CO 0.25 -0.10 1.82 1.79 -0.92 0.00 0.00 175.35 178.18 2jac h THR 25 N 5.71 0.64 -0.18 2.17 1.35 -1.94 -1.78 112.91 118.88 2jac h THR 25 Ca -0.36 -0.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.33 2jac h THR 25 Cb 1.16 0.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2jac h THR 25 CO 0.46 0.09 0.00 0.00 -0.25 0.00 0.00 175.52 175.81 2jac n TYR 26 N -4.59 0.23 -2.65 4.73 0.18 -1.26 -4.92 117.16 108.88 2jac n TYR 26 Ca 0.22 -0.11 -0.43 0.00 1.88 0.00 0.00 57.90 59.45 2jac n TYR 26 Cb 0.72 0.00 -0.02 0.00 -0.38 0.00 0.00 39.34 39.66 2jac n TYR 26 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2jac h PRO 28 N 8.46 0.76 -0.06 0.00 0.11 -1.91 -1.65 132.00 137.71 2jac h PRO 28 Ca -0.21 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 65.72 2jac h PRO 28 Cb 1.06 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 2jac h PRO 28 CO 1.05 0.50 -0.54 1.88 -0.21 0.00 0.00 178.00 180.69 2jac h TYR 29 N 0.78 0.22 -0.23 0.65 0.05 -1.91 -1.90 116.97 114.63 2jac h TYR 29 Ca 0.37 -0.07 -0.13 0.00 0.05 0.00 0.00 58.73 58.94 2jac h TYR 29 Cb 0.40 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 38.10 2jac h TYR 29 CO -0.00 0.68 -0.37 0.77 -1.05 0.00 0.00 178.16 178.18 2jac h SER 30 N 0.13 0.72 -0.65 3.88 0.02 -1.61 -0.77 113.55 115.27 2jac h SER 30 Ca 0.00 -0.53 0.02 0.00 -0.84 0.00 0.00 61.79 60.44 2jac h SER 30 Cb 1.00 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 2jac h SER 30 CO 0.08 1.11 0.41 0.45 -1.14 0.00 0.00 176.83 177.74 2jac h HIS 31 N 0.36 0.78 -0.27 3.45 3.86 -1.25 -0.14 115.15 121.94 2jac h HIS 31 Ca 0.02 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.24 2jac h HIS 31 Cb 0.96 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2jac h HIS 31 CO 0.08 0.47 0.13 0.00 0.86 0.00 0.00 177.93 179.47 2jac h ALA 32 N 1.26 0.35 -0.42 2.45 0.00 -1.23 0.63 119.26 122.29 2jac h ALA 32 Ca 0.25 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 2jac h ALA 32 Cb -0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2jac h ALA 32 CO -0.08 -0.08 0.13 0.00 0.00 0.00 0.00 179.25 179.21 2jac h ALA 33 N 0.99 0.55 -0.44 0.00 0.00 -0.79 -1.52 119.26 118.05 2jac h ALA 33 Ca 0.09 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.71 2jac h ALA 33 Cb 0.12 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2jac h ALA 33 CO -0.01 0.20 -0.20 -0.07 0.00 0.00 0.00 179.25 179.17 2jac h LEU 34 N 0.54 0.90 -0.50 0.00 3.38 -0.96 -1.63 115.31 117.04 2jac h LEU 34 Ca 0.13 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.79 2jac h LEU 34 Cb 0.27 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 2jac h LEU 34 CO -0.00 1.07 0.33 -1.13 0.09 0.00 0.00 178.44 178.80 2jac h ASN 35 N 0.77 0.56 -0.02 -0.43 -0.73 -0.72 0.75 115.58 115.77 2jac h ASN 35 Ca 0.11 -0.01 0.00 0.00 1.87 0.00 0.00 56.30 58.26 2jac h ASN 35 Cb 0.74 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 39.19 2jac h ASN 35 CO 0.06 0.41 0.01 0.74 -0.37 0.00 0.00 177.43 178.28 2jac h THR 36 N 0.67 1.03 0.36 -3.57 2.02 -1.07 0.82 112.91 113.16 2jac h THR 36 Ca 0.18 -0.07 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 2jac h THR 36 Cb -0.07 1.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2jac h THR 36 CO -0.04 0.02 -0.18 -0.07 0.37 0.00 0.00 175.52 175.62 2jac h LEU 37 N -0.00 -0.41 0.07 2.58 3.38 -1.06 0.43 115.31 120.30 2jac h LEU 37 Ca 0.01 -0.04 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 2jac h LEU 37 Cb 0.03 0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.90 2jac h LEU 37 CO -0.00 -0.23 -0.76 -0.26 0.09 0.00 0.00 178.44 177.28 2jac h PHE 38 N -0.58 0.63 0.00 1.13 0.04 -0.87 -0.14 116.94 117.15 2jac h PHE 38 Ca -0.05 -0.39 -0.25 0.00 2.80 0.00 0.00 57.97 60.08 2jac h PHE 38 Cb 0.43 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.49 2jac h PHE 38 CO -0.03 1.25 -1.43 0.39 -0.60 0.00 0.00 178.31 177.89 2jac n GLU 39 N -4.13 0.56 0.04 1.51 1.02 0.25 -3.27 120.64 116.61 2jac n GLU 39 Ca -0.12 0.51 -0.15 0.00 -0.02 0.00 0.00 57.16 57.38 2jac n GLU 39 Cb 0.77 -1.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 2jac n GLU 39 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2jac h LYS 40 N -1.00 0.55 -0.01 3.49 1.57 -1.10 -3.30 116.57 116.77 2jac h LYS 40 Ca -0.38 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 57.88 2jac h LYS 40 Cb 1.28 0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.72 2jac h LYS 40 CO -0.23 1.15 -0.50 1.28 -0.57 0.00 0.00 179.45 180.58 2jac n LEU 41 N -3.83 1.92 -2.85 2.94 4.77 0.15 -4.98 117.00 115.11 2jac n LEU 41 Ca -0.07 -0.71 -0.20 0.00 -0.03 0.00 0.00 56.01 55.00 2jac n LEU 41 Cb 0.79 -0.01 0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2jac n LEU 41 CO 0.52 0.36 -0.10 0.29 -1.33 0.00 0.00 177.39 177.13 2jac n LYS 42 N -0.15 -3.30 -2.32 3.23 5.02 -1.08 -4.94 118.16 114.63 2jac n LYS 42 Ca 0.09 0.74 -0.42 0.00 -2.02 0.00 0.00 58.31 56.71 2jac n LYS 42 Cb 0.45 -5.47 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 2jac n LYS 42 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2jac s VAL 43 N -2.95 3.61 0.25 -0.18 1.01 -0.09 -4.96 120.40 117.09 2jac s VAL 43 Ca 0.20 1.23 -0.30 0.00 0.00 0.00 0.00 61.98 63.11 2jac s VAL 43 Cb -0.10 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.39 2jac s VAL 43 CO 0.24 0.14 1.49 -2.84 0.00 0.00 0.00 175.10 174.14 2jac s PRO 44 N 0.53 4.22 0.41 2.72 0.02 -1.26 -4.52 135.00 137.12 2jac s PRO 44 Ca 0.58 2.38 0.13 0.00 0.02 0.00 0.00 61.00 64.12 2jac s PRO 44 Cb -0.33 -3.09 0.97 0.00 0.02 0.00 0.00 34.50 32.07 2jac s PRO 44 CO 0.33 -0.50 1.92 0.00 -0.33 0.00 0.00 177.00 178.42 2jac h ARG 45 N 5.16 0.49 0.00 5.54 2.47 -1.93 -0.91 114.38 125.19 2jac h ARG 45 Ca -0.46 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.23 2jac h ARG 45 Cb 1.22 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.43 2jac h ARG 45 CO 0.80 0.33 0.00 -1.13 0.56 0.00 0.00 179.97 180.52 2jac n SER 46 N -4.50 0.00 -0.57 7.04 3.41 -1.26 -1.76 113.62 115.98 2jac n SER 46 Ca 0.14 0.39 0.11 0.00 -0.26 0.00 0.00 58.87 59.25 2jac n SER 46 Cb 0.47 -0.43 0.04 0.00 -0.26 0.00 0.00 64.21 64.03 2jac n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jac n LYS 47 N -1.43 1.40 -5.00 4.33 4.76 -0.35 -4.93 118.16 116.94 2jac n LYS 47 Ca 0.03 -1.14 -0.29 0.00 -2.87 0.00 0.00 58.31 54.04 2jac n LYS 47 Cb 0.10 -1.48 -0.17 0.00 -1.84 0.00 0.00 35.03 31.65 2jac n LYS 47 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2jac s VAL 48 N -2.39 1.71 -0.30 -0.18 1.01 -0.72 -1.29 120.40 118.24 2jac s VAL 48 Ca 0.21 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.26 2jac s VAL 48 Cb 0.19 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.06 2jac s VAL 48 CO 0.52 0.48 0.15 -0.22 0.00 0.00 0.00 175.10 176.03 2jac s LEU 49 N 0.32 4.00 -0.28 3.92 2.96 -0.11 -4.98 118.68 124.50 2jac s LEU 49 Ca -0.13 -0.36 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2jac s LEU 49 Cb -0.16 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.53 2jac s LEU 49 CO 0.06 -0.14 0.01 -0.69 -1.32 0.00 0.00 176.35 174.27 2jac s VAL 50 N 1.65 3.40 -0.26 1.68 1.01 -1.26 -0.65 120.40 125.98 2jac s VAL 50 Ca 0.06 -0.91 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 2jac s VAL 50 Cb -0.16 -2.77 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 2jac s VAL 50 CO 0.07 0.10 0.11 -0.76 0.00 0.00 0.00 175.10 174.62 2jac s LEU 51 N 1.40 3.61 -0.79 3.92 1.43 -0.27 -4.98 118.68 123.01 2jac s LEU 51 Ca 0.01 -0.15 -0.19 0.00 -1.03 0.00 0.00 54.13 52.78 2jac s LEU 51 Cb -0.17 -1.98 0.13 0.00 0.03 0.00 0.00 46.19 44.20 2jac s LEU 51 CO -0.01 -0.04 0.94 -1.10 0.23 0.00 0.00 176.35 176.38 2jac s GLN 52 N 1.65 3.40 0.42 1.70 -1.52 -1.26 0.55 119.66 124.60 2jac s GLN 52 Ca 0.07 -1.64 0.11 0.00 -1.95 0.00 0.00 55.36 51.95 2jac s GLN 52 Cb -0.15 -4.58 0.95 0.00 -0.22 0.00 0.00 33.01 29.01 2jac s GLN 52 CO 0.06 -1.65 1.99 -0.07 -0.25 0.00 0.00 175.29 175.37 2jac h LEU 53 N 10.02 0.43 -0.17 2.90 3.38 -1.07 -1.54 115.31 129.25 2jac h LEU 53 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2jac h LEU 53 Cb 1.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2jac h LEU 53 CO 1.06 0.27 0.00 -0.46 0.09 0.00 0.00 178.44 179.40 2jac n ASN 54 N -4.47 0.15 -0.67 -0.43 6.94 -1.26 -2.02 115.26 113.49 2jac n ASN 54 Ca 0.08 0.54 0.06 0.00 -0.02 0.00 0.00 54.58 55.24 2jac n ASN 54 Cb 0.28 -0.57 0.16 0.00 -2.36 0.00 0.00 39.78 37.29 2jac n ASN 54 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2jac n ASP 55 N -1.67 2.93 -4.37 0.53 8.00 -0.58 -5.00 116.55 116.40 2jac n ASP 55 Ca 0.03 -1.98 -0.31 0.00 0.71 0.00 0.00 54.79 53.24 2jac n ASP 55 Cb 0.17 -0.23 -0.15 0.00 -0.02 0.00 0.00 41.12 40.89 2jac n ASP 55 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 2jac s MET 56 N -1.00 2.12 0.23 -1.24 -1.94 -0.86 -5.03 119.30 111.58 2jac s MET 56 Ca 0.24 -0.93 -0.07 0.00 -1.71 0.00 0.00 55.69 53.23 2jac s MET 56 Cb 0.13 -2.11 0.32 0.00 2.01 0.00 0.00 34.83 35.18 2jac s MET 56 CO 0.17 0.56 1.81 -0.22 -0.01 0.00 0.00 175.02 177.32 2jac h LYS 57 N 5.21 0.71 -0.45 2.03 3.64 -1.94 -1.16 116.57 124.61 2jac h LYS 57 Ca -0.45 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2jac h LYS 57 Cb 1.13 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2jac h LYS 57 CO 0.47 0.47 0.00 -1.91 -2.27 0.00 0.00 179.45 176.21 2jac n GLU 58 N -4.77 2.05 -0.20 1.90 4.07 -1.26 -4.49 120.64 117.94 2jac n GLU 58 Ca 0.11 -1.64 -0.01 0.00 -0.06 0.00 0.00 57.16 55.56 2jac n GLU 58 Cb 0.23 -1.36 0.06 0.00 -0.06 0.00 0.00 31.44 30.31 2jac n GLU 58 CO 0.00 0.00 0.00 0.78 -0.06 0.00 0.00 177.13 177.85 2jac h GLY 59 N 5.00 0.46 0.97 8.31 0.00 -1.33 0.13 103.07 116.60 2jac h GLY 59 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 2jac h GLY 59 CO 0.00 -0.23 0.22 0.00 0.00 0.00 0.00 176.54 176.53 2jac h ALA 60 N 1.60 0.61 -0.56 3.60 0.00 -1.79 -1.50 119.26 121.21 2jac h ALA 60 Ca 0.29 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 2jac h ALA 60 Cb 0.45 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 2jac h ALA 60 CO -0.61 0.19 0.14 -0.44 0.00 0.00 0.00 179.25 178.53 2jac h ASP 61 N 0.62 0.81 -0.42 0.00 3.32 -1.61 -1.91 116.42 117.23 2jac h ASP 61 Ca 0.16 -0.14 -0.08 0.00 0.02 0.00 0.00 57.03 56.99 2jac h ASP 61 Cb 0.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 2jac h ASP 61 CO -0.02 0.79 -0.05 0.40 -1.72 0.00 0.00 179.24 178.63 2jac h ILE 62 N 0.83 1.27 -0.37 0.35 2.04 -0.51 0.07 117.51 121.19 2jac h ILE 62 Ca 0.18 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.86 2jac h ILE 62 Cb 0.29 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2jac h ILE 62 CO -0.00 0.38 -0.03 -0.61 0.00 0.00 0.00 178.15 177.89 2jac h GLN 63 N 0.61 0.59 -0.22 2.37 4.15 -1.01 -0.89 115.11 120.72 2jac h GLN 63 Ca 0.11 -0.14 -0.18 0.00 0.77 0.00 0.00 58.65 59.21 2jac h GLN 63 Cb 0.57 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.18 2jac h GLN 63 CO 0.03 0.64 -0.57 0.00 -1.93 0.00 0.00 178.83 177.00 2jac h ALA 64 N 1.41 0.58 -0.54 3.38 0.00 -1.14 -2.34 119.26 120.62 2jac h ALA 64 Ca 0.11 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 2jac h ALA 64 Cb 0.40 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jac h ALA 64 CO 0.02 0.69 0.31 0.00 0.00 0.00 0.00 179.25 180.27 2jac h ALA 65 N 0.84 0.69 -0.83 0.00 0.00 -0.51 -1.36 119.26 118.08 2jac h ALA 65 Ca 0.01 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2jac h ALA 65 Cb 1.14 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 2jac h ALA 65 CO 0.11 0.19 0.49 -0.07 0.00 0.00 0.00 179.25 179.97 2jac h LEU 66 N 0.73 1.01 -0.70 0.00 3.38 -1.07 0.40 115.31 119.05 2jac h LEU 66 Ca 0.19 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 2jac h LEU 66 Cb 0.01 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.48 2jac h LEU 66 CO -0.03 0.78 0.17 0.22 0.09 0.00 0.00 178.44 179.67 2jac h TYR 67 N 1.15 1.18 -0.79 1.13 5.03 -0.91 -0.09 116.97 123.67 2jac h TYR 67 Ca 0.30 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.47 2jac h TYR 67 Cb -0.03 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 37.88 2jac h TYR 67 CO 0.01 0.96 0.49 1.49 -1.32 0.00 0.00 178.16 179.78 2jac h GLU 68 N 1.05 1.06 0.03 1.82 4.57 -0.16 0.30 114.58 123.26 2jac h GLU 68 Ca 0.22 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.31 2jac h GLU 68 Cb 0.37 -0.23 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 2jac h GLU 68 CO 0.00 0.73 -0.01 0.82 -1.18 0.00 0.00 179.01 179.37 2jac h ILE 69 N 1.07 1.40 -0.00 2.32 2.04 -0.57 -3.40 117.51 120.37 2jac h ILE 69 Ca 0.28 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.61 2jac h ILE 69 Cb -0.07 2.40 0.00 0.00 -0.74 0.00 0.00 36.82 38.41 2jac h ILE 69 CO -0.06 0.38 -0.00 -0.46 0.00 0.00 0.00 178.15 178.01 2jac n ASN 70 N -4.79 1.02 0.00 1.72 2.04 -0.08 -5.02 115.26 110.15 2jac n ASN 70 Ca -0.09 -1.01 0.00 0.00 -0.44 0.00 0.00 54.58 53.05 2jac n ASN 70 Cb 0.32 0.07 0.00 0.00 -2.53 0.00 0.00 39.78 37.65 2jac n ASN 70 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 2jac n GLY 71 N 0.13 0.80 3.81 4.83 0.00 0.11 -5.01 105.19 109.86 2jac n GLY 71 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 2jac n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2jac s GLN 72 N -0.15 4.22 -0.01 1.61 0.74 -1.26 -4.94 119.66 119.87 2jac s GLN 72 Ca 0.00 0.76 0.13 0.00 0.05 0.00 0.00 55.36 56.31 2jac s GLN 72 Cb 0.00 -3.17 -0.19 0.00 1.10 0.00 0.00 33.01 30.75 2jac s GLN 72 CO 0.00 0.59 0.39 0.54 -0.55 0.00 0.00 175.29 176.26 2jac n ARG 73 N 1.50 1.20 -3.52 1.67 1.74 -1.26 -3.55 116.66 114.45 2jac n ARG 73 Ca -0.09 -0.08 -0.19 0.00 -0.77 0.00 0.00 57.85 56.72 2jac n ARG 73 Cb 0.51 -1.25 -0.01 0.00 -1.02 0.00 0.00 32.46 30.68 2jac n ARG 73 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2jac s THR 74 N -2.69 3.70 0.12 0.55 -4.23 -1.26 -5.05 115.64 106.79 2jac s THR 74 Ca -0.01 -1.13 0.09 0.00 -1.18 0.00 0.00 61.69 59.46 2jac s THR 74 Cb 0.09 -3.27 -0.04 0.00 1.34 0.00 0.00 72.50 70.62 2jac s THR 74 CO 0.55 -0.13 -0.17 0.68 -0.54 0.00 0.00 174.62 175.01 2jac s VAL 75 N -2.25 2.91 0.54 2.29 -7.23 -1.26 -4.19 120.40 111.21 2jac s VAL 75 Ca 0.45 -1.51 -0.19 0.00 -1.81 0.00 0.00 61.98 58.92 2jac s VAL 75 Cb -0.08 -2.35 -0.06 0.00 0.56 0.00 0.00 36.38 34.45 2jac s VAL 75 CO 0.30 0.08 1.12 -2.16 -0.31 0.00 0.00 175.10 174.12 2jac s PRO 76 N -2.22 3.39 -0.31 4.82 0.04 -1.26 -4.73 135.00 134.73 2jac s PRO 76 Ca 0.19 1.57 0.02 0.00 0.04 0.00 0.00 61.00 62.82 2jac s PRO 76 Cb -0.10 -2.01 0.09 0.00 0.04 0.00 0.00 34.50 32.51 2jac s PRO 76 CO 0.11 -0.81 0.03 1.21 0.04 0.00 0.00 177.00 177.58 2jac s ASN 77 N -1.84 4.40 -0.13 6.66 3.04 -0.47 -3.87 114.94 122.73 2jac s ASN 77 Ca 0.72 -1.80 -0.07 0.00 0.04 0.00 0.00 52.86 51.75 2jac s ASN 77 Cb -0.23 -1.35 -0.04 0.00 -1.54 0.00 0.00 41.25 38.09 2jac s ASN 77 CO 0.27 -0.35 0.13 -0.63 -3.04 0.00 0.00 177.10 173.48 2jac s ILE 78 N 1.18 5.46 -0.01 -5.21 1.01 0.63 -1.67 121.20 122.59 2jac s ILE 78 Ca 0.06 0.19 0.04 0.00 0.00 0.00 0.00 60.65 60.94 2jac s ILE 78 Cb -0.19 -3.39 -0.01 0.00 0.01 0.00 0.00 42.46 38.89 2jac s ILE 78 CO -0.12 0.60 -0.12 -0.31 0.00 0.00 0.00 174.94 174.99 2jac s TYR 79 N -0.89 1.13 -0.17 3.97 1.51 -0.24 -0.37 117.35 122.29 2jac s TYR 79 Ca 0.14 -0.24 -0.00 0.00 -1.01 0.00 0.00 57.07 55.97 2jac s TYR 79 Cb -0.12 -0.75 0.04 0.00 -0.11 0.00 0.00 41.96 41.03 2jac s TYR 79 CO 0.03 -0.04 -0.07 0.42 -1.11 0.00 0.00 175.55 174.78 2jac s ILE 80 N -0.19 1.23 -1.35 2.71 1.01 -0.00 -1.15 121.20 123.46 2jac s ILE 80 Ca 0.03 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 2jac s ILE 80 Cb -0.06 -1.37 0.02 0.00 0.01 0.00 0.00 42.46 41.06 2jac s ILE 80 CO -0.00 0.16 0.93 0.59 0.00 0.00 0.00 174.94 176.61 2jac n ASN 81 N 4.84 -3.22 0.00 3.58 5.03 0.22 -1.66 115.26 124.04 2jac n ASN 81 Ca -0.13 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.61 2jac n ASN 81 Cb 0.48 -4.44 0.00 0.00 -1.02 0.00 0.00 39.78 34.79 2jac n ASN 81 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2jac n GLY 82 N -1.59 1.67 3.72 7.41 0.00 -1.26 -4.98 105.19 110.15 2jac n GLY 82 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2jac n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jac s LYS 83 N -0.10 4.28 -0.11 1.61 2.20 -0.67 -5.03 119.74 121.93 2jac s LYS 83 Ca 0.00 0.26 -0.29 0.00 -0.36 0.00 0.00 55.97 55.57 2jac s LYS 83 Cb 0.00 -3.45 -0.03 0.00 -1.51 0.00 0.00 37.83 32.84 2jac s LYS 83 CO 0.00 0.16 1.41 -1.58 -0.36 0.00 0.00 175.35 174.98 2jac s HIS 84 N 0.66 2.55 -0.23 4.03 5.65 -1.26 -0.82 115.29 125.86 2jac s HIS 84 Ca 0.21 0.71 -0.17 0.00 0.25 0.00 0.00 55.06 56.06 2jac s HIS 84 Cb -0.14 -3.66 -0.17 0.00 -1.18 0.00 0.00 32.58 27.43 2jac s HIS 84 CO 0.07 -2.50 0.01 -0.89 -0.65 0.00 0.00 174.74 170.78 2jac n ILE 85 N 5.33 1.55 0.00 0.89 -0.00 0.50 -4.95 119.36 122.67 2jac n ILE 85 Ca 0.15 -0.20 0.00 0.00 -0.00 0.00 0.00 62.75 62.69 2jac n ILE 85 Cb 0.44 -1.95 0.00 0.00 -0.00 0.00 0.00 39.64 38.13 2jac n ILE 85 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2jac n GLY 86 N 1.43 0.12 0.00 7.39 0.00 -1.01 -4.74 105.19 108.37 2jac n GLY 86 Ca -0.41 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 43.92 2jac n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jac n GLY 87 N 0.00 1.90 0.19 -0.02 0.00 -1.25 -0.27 105.19 105.74 2jac n GLY 87 Ca 0.00 -2.08 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 2jac n GLY 87 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2jac h ASN 88 N 0.00 0.53 -0.91 1.61 -1.24 -1.84 -1.33 115.58 112.39 2jac h ASN 88 Ca 0.00 -0.12 0.07 0.00 0.71 0.00 0.00 56.30 56.96 2jac h ASN 88 Cb 0.00 -0.14 -0.06 0.00 0.73 0.00 0.00 38.32 38.85 2jac h ASN 88 CO 0.00 0.50 0.59 -2.24 -1.29 0.00 0.00 177.43 174.99 2jac h ASP 89 N 0.52 0.91 -0.50 1.15 3.04 -1.95 0.35 116.42 119.95 2jac h ASP 89 Ca 0.14 0.01 -0.06 0.00 -3.24 0.00 0.00 57.03 53.88 2jac h ASP 89 Cb 0.11 -0.19 -0.02 0.00 -1.04 0.00 0.00 39.33 38.19 2jac h ASP 89 CO -0.02 0.58 0.07 0.44 -2.04 0.00 0.00 179.24 178.27 2jac h ASP 90 N 1.03 0.80 -0.45 4.15 5.19 -1.77 -0.52 116.42 124.85 2jac h ASP 90 Ca 0.40 -0.27 -0.02 0.00 -0.62 0.00 0.00 57.03 56.52 2jac h ASP 90 Cb 0.22 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2jac h ASP 90 CO -0.15 0.87 0.21 0.25 -3.12 0.00 0.00 179.24 177.30 2jac h LEU 91 N 0.70 0.58 -0.89 1.55 5.85 -0.16 -2.19 115.31 120.76 2jac h LEU 91 Ca 0.15 -0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 2jac h LEU 91 Cb 0.42 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2jac h LEU 91 CO 0.01 0.55 -0.17 1.56 -0.34 0.00 0.00 178.44 180.05 2jac h GLN 92 N 0.58 0.64 -0.21 1.25 1.08 -0.82 -2.93 115.11 114.69 2jac h GLN 92 Ca 0.15 -0.22 0.01 0.00 -1.45 0.00 0.00 58.65 57.14 2jac h GLN 92 Cb 0.12 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.48 2jac h GLN 92 CO -0.02 0.77 0.12 1.49 -0.95 0.00 0.00 178.83 180.24 2jac h GLU 93 N 0.57 0.24 -0.10 1.46 4.57 -0.78 -2.19 114.58 118.35 2jac h GLU 93 Ca 0.09 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.24 2jac h GLU 93 Cb 0.61 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 2jac h GLU 93 CO 0.04 0.16 -0.03 -0.07 -1.18 0.00 0.00 179.01 177.93 2jac h LEU 94 N 0.25 0.13 -0.38 1.64 3.38 -1.27 -1.96 115.31 117.10 2jac h LEU 94 Ca 0.08 -0.01 -0.17 0.00 0.09 0.00 0.00 57.88 57.87 2jac h LEU 94 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 2jac h LEU 94 CO -0.04 0.20 -0.49 0.03 0.09 0.00 0.00 178.44 178.22 2jac h ARG 95 N 0.15 0.83 0.00 1.13 3.08 -1.27 0.23 114.38 118.54 2jac h ARG 95 Ca 0.04 -0.50 -0.11 0.00 0.07 0.00 0.00 59.98 59.48 2jac h ARG 95 Cb 0.16 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 2jac h ARG 95 CO 0.01 1.13 -0.51 0.93 -1.07 0.00 0.00 179.97 180.46 2jac h GLU 96 N 0.65 0.00 -0.01 0.04 5.08 -0.80 -2.61 114.58 116.93 2jac h GLU 96 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jac h GLU 96 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jac h GLU 96 CO 0.11 0.51 -0.14 0.25 -1.00 0.00 0.00 179.01 178.74 2jac n THR 97 N -3.80 0.00 -1.99 1.13 -2.24 -0.79 -4.93 114.28 101.65 2jac n THR 97 Ca -0.01 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2jac n THR 97 Cb 0.54 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 69.13 2jac n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jac n GLY 98 N 1.26 0.21 0.06 3.38 0.00 -0.97 -4.93 105.19 104.21 2jac n GLY 98 Ca 0.15 -0.55 0.07 0.00 0.00 0.00 0.00 46.02 45.69 2jac n GLY 98 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jac n GLU 99 N -2.00 2.22 -0.04 1.61 1.02 0.03 -4.55 120.64 118.91 2jac n GLU 99 Ca -0.10 -0.15 -0.16 0.00 -0.02 0.00 0.00 57.16 56.73 2jac n GLU 99 Cb 0.52 -1.18 -0.06 0.00 -0.02 0.00 0.00 31.44 30.70 2jac n GLU 99 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2jac h LEU 100 N 0.32 0.94 -0.74 -4.62 5.85 -1.76 -3.29 115.31 112.01 2jac h LEU 100 Ca 0.00 -0.60 0.14 0.00 0.84 0.00 0.00 57.88 58.26 2jac h LEU 100 Cb 0.37 -0.28 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 2jac h LEU 100 CO 0.00 1.38 0.29 -0.33 -0.34 0.00 0.00 178.44 179.43 2jac h GLU 101 N 0.56 0.42 0.00 1.25 4.39 -1.87 0.69 114.58 120.02 2jac h GLU 101 Ca -0.03 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 2jac h GLU 101 Cb 1.30 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.85 2jac h GLU 101 CO 0.14 0.27 -0.19 1.05 -1.16 0.00 0.00 179.01 179.13 2jac h GLU 102 N 0.43 0.00 0.01 2.33 4.11 -1.85 -1.40 114.58 118.21 2jac h GLU 102 Ca 0.41 0.00 -0.20 0.00 0.07 0.00 0.00 59.36 59.64 2jac h GLU 102 Cb 0.62 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2jac h GLU 102 CO -0.40 0.19 -0.90 -0.07 0.07 0.00 0.00 179.01 177.89 2jac h LEU 103 N 0.00 0.21 0.00 3.06 3.38 -0.99 -3.30 115.31 117.67 2jac h LEU 103 Ca -0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2jac h LEU 103 Cb 0.34 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2jac h LEU 103 CO 0.02 1.01 -0.52 -0.07 0.09 0.00 0.00 178.44 178.97 2jac h LEU 104 N 0.08 0.00 -0.54 1.67 3.38 -0.77 -3.40 115.31 115.73 2jac h LEU 104 Ca -0.04 -0.02 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2jac h LEU 104 Cb 1.55 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 42.21 2jac h LEU 104 CO 0.13 0.01 -0.52 -0.33 0.09 0.00 0.00 178.44 177.82 2jac h GLU 105 N 0.00 -0.28 0.00 1.13 5.08 -1.35 0.31 114.58 119.47 2jac h GLU 105 Ca 0.00 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2jac h GLU 105 Cb 0.96 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2jac h GLU 105 CO 0.00 -0.19 0.07 -1.00 -1.00 0.00 0.00 179.01 176.89 2jac h PRO 106 N -0.29 0.00 0.01 2.33 0.13 -1.81 -1.70 132.00 130.67 2jac h PRO 106 Ca 0.12 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.94 2jac h PRO 106 Cb 0.56 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.64 2jac h PRO 106 CO -0.67 0.00 -1.83 -0.89 -0.23 0.00 0.00 178.00 174.37 2jac n ILE 107 N -3.01 1.59 1.35 -3.56 5.41 0.45 -5.22 119.36 116.37 2jac n ILE 107 Ca -0.03 -0.79 0.13 0.00 1.00 0.00 0.00 62.75 63.06 2jac n ILE 107 Cb 0.13 -1.00 0.40 0.00 -0.71 0.00 0.00 39.64 38.45 2jac n ILE 107 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73