#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3c1r h MET 1 N 0.00 0.00 -6.32 -0.41 2.07 -2.03 -3.48 114.93 104.77 3c1r h MET 1 Ca 0.00 0.00 -0.60 0.00 -2.07 0.00 0.00 59.70 57.03 3c1r h MET 1 Cb 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 31.60 29.61 3c1r h MET 1 CO 0.00 0.43 -0.69 0.14 1.07 0.00 0.00 176.91 177.85 3c1r s VAL 2 N -2.97 3.22 0.63 -2.22 -7.23 -1.26 -5.10 120.40 105.48 3c1r s VAL 2 Ca 0.02 -1.85 -0.17 0.00 -1.81 0.00 0.00 61.98 58.18 3c1r s VAL 2 Cb 0.08 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 3c1r s VAL 2 CO 0.76 -0.25 1.14 -0.94 -0.31 0.00 0.00 175.10 175.50 3c1r s SER 3 N -3.26 5.12 0.39 4.85 1.04 -1.26 -4.91 113.70 115.67 3c1r s SER 3 Ca 0.28 2.15 0.09 0.00 0.48 0.00 0.00 55.95 58.95 3c1r s SER 3 Cb -0.07 -2.57 0.79 0.00 0.10 0.00 0.00 66.02 64.26 3c1r s SER 3 CO 0.17 -1.62 1.93 1.56 0.98 0.00 0.00 173.24 176.25 3c1r h GLN 4 N 0.37 0.28 -0.21 4.02 1.08 -1.99 -2.22 115.11 116.43 3c1r h GLN 4 Ca -0.48 -0.06 0.05 0.00 -1.45 0.00 0.00 58.65 56.71 3c1r h GLN 4 Cb 1.26 -0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.61 3c1r h GLN 4 CO 0.54 0.38 -0.09 1.49 -0.95 0.00 0.00 178.83 180.20 3c1r h GLU 5 N 0.27 -0.06 -0.37 1.46 4.81 -1.99 0.58 114.58 119.28 3c1r h GLU 5 Ca 0.06 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.22 3c1r h GLU 5 Cb 0.33 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 3c1r h GLU 5 CO 0.02 -0.04 -0.06 1.15 -0.73 0.00 0.00 179.01 179.34 3c1r h THR 6 N -0.07 1.27 -0.73 0.32 2.02 -1.89 -1.70 112.91 112.14 3c1r h THR 6 Ca 0.11 -1.11 0.04 0.00 0.77 0.00 0.00 66.41 66.22 3c1r h THR 6 Cb 0.23 1.24 -0.05 0.00 -1.74 0.00 0.00 68.15 67.84 3c1r h THR 6 CO -0.26 0.37 0.45 0.40 0.37 0.00 0.00 175.52 176.86 3c1r h ILE 7 N 0.49 1.07 -0.43 3.11 2.04 -1.16 -0.97 117.51 121.66 3c1r h ILE 7 Ca 0.10 -0.30 -0.14 0.00 1.00 0.00 0.00 64.86 65.52 3c1r h ILE 7 Cb 0.56 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 3c1r h ILE 7 CO 0.03 0.16 -0.28 0.11 0.00 0.00 0.00 178.15 178.17 3c1r h LYS 8 N 0.87 0.93 -0.39 2.37 1.57 -0.81 -1.21 116.57 119.91 3c1r h LYS 8 Ca 0.30 -0.43 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3c1r h LYS 8 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 3c1r h LYS 8 CO -0.13 1.09 0.23 1.25 -0.57 0.00 0.00 179.45 181.32 3c1r h HIS 9 N 0.79 0.51 -0.43 -1.35 2.76 -0.88 0.15 115.15 116.71 3c1r h HIS 9 Ca 0.09 -0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.20 3c1r h HIS 9 Cb 0.85 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 29.62 3c1r h HIS 9 CO 0.05 0.37 0.05 0.28 -1.30 0.00 0.00 177.93 177.39 3c1r h VAL 10 N 0.50 1.25 -0.86 5.26 2.07 -1.15 -0.81 116.25 122.52 3c1r h VAL 10 Ca 0.14 -0.93 0.03 0.00 0.82 0.00 0.00 66.70 66.76 3c1r h VAL 10 Cb 0.02 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3c1r h VAL 10 CO -0.03 0.32 0.57 0.11 0.02 0.00 0.00 177.57 178.56 3c1r h LYS 11 N 0.58 1.06 -0.15 1.57 1.57 -0.99 -1.00 116.57 119.20 3c1r h LYS 11 Ca 0.13 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3c1r h LYS 11 Cb 0.41 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 3c1r h LYS 11 CO 0.01 0.70 0.09 -0.44 -0.57 0.00 0.00 179.45 179.24 3c1r h ASP 12 N 1.09 0.19 -0.96 0.86 3.32 -0.31 -1.63 116.42 118.97 3c1r h ASP 12 Ca 0.34 -0.05 0.06 0.00 0.02 0.00 0.00 57.03 57.40 3c1r h ASP 12 Cb 0.01 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.44 3c1r h ASP 12 CO -0.10 0.19 0.62 -0.07 -1.72 0.00 0.00 179.24 178.15 3c1r h LEU 13 N 0.17 0.99 -0.55 1.55 3.38 -0.61 0.15 115.31 120.39 3c1r h LEU 13 Ca 0.06 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.98 3c1r h LEU 13 Cb 0.04 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3c1r h LEU 13 CO -0.01 0.64 0.12 0.40 0.09 0.00 0.00 178.44 179.68 3c1r h ILE 14 N 1.13 1.25 0.09 1.22 2.04 -1.07 -3.04 117.51 119.12 3c1r h ILE 14 Ca 0.41 -0.91 -0.26 0.00 1.00 0.00 0.00 64.86 65.11 3c1r h ILE 14 Cb 0.14 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.01 3c1r h ILE 14 CO -0.17 0.33 -1.14 0.00 0.00 0.00 0.00 178.15 177.17 3c1r h ALA 15 N 1.01 0.18 0.00 1.87 0.00 -0.78 -3.36 119.26 118.18 3c1r h ALA 15 Ca 0.17 -0.81 -0.02 0.00 0.00 0.00 0.00 54.91 54.25 3c1r h ALA 15 Cb 0.36 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3c1r h ALA 15 CO 0.00 0.89 -0.10 0.93 0.00 0.00 0.00 179.25 180.97 3c1r h GLU 16 N 0.14 0.00 -5.90 0.00 5.08 -0.74 -3.46 114.58 109.69 3c1r h GLU 16 Ca -0.12 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.57 3c1r h GLU 16 Cb 1.83 0.00 -0.20 0.00 0.50 0.00 0.00 28.75 30.88 3c1r h GLU 16 CO 0.19 0.10 -0.69 -0.80 -1.00 0.00 0.00 179.01 176.81 3c1r s ASN 17 N -6.26 4.67 0.25 1.42 0.01 -1.15 -5.01 114.94 108.87 3c1r s ASN 17 Ca 0.06 -0.05 -0.04 0.00 -0.71 0.00 0.00 52.86 52.11 3c1r s ASN 17 Cb 0.06 -1.35 0.34 0.00 0.41 0.00 0.00 41.25 40.71 3c1r s ASN 17 CO 0.69 0.31 1.88 -0.33 -1.51 0.00 0.00 177.10 178.13 3c1r h GLU 18 N 5.65 1.08 -4.11 -0.60 5.08 -1.89 -3.40 114.58 116.38 3c1r h GLU 18 Ca -0.44 -0.06 -0.35 0.00 -1.00 0.00 0.00 59.36 57.51 3c1r h GLU 18 Cb 1.18 -0.24 -0.31 0.00 0.50 0.00 0.00 28.75 29.88 3c1r h GLU 18 CO 0.55 0.71 -0.76 0.42 -1.00 0.00 0.00 179.01 178.94 3c1r s ILE 19 N -6.06 0.39 -0.09 3.13 1.01 -1.17 -0.22 121.20 118.19 3c1r s ILE 19 Ca -0.13 -0.13 0.02 0.00 0.00 0.00 0.00 60.65 60.41 3c1r s ILE 19 Cb 0.19 -0.39 0.01 0.00 0.01 0.00 0.00 42.46 42.28 3c1r s ILE 19 CO 0.80 0.15 -0.15 0.12 0.00 0.00 0.00 174.94 175.87 3c1r s PHE 20 N 0.37 1.83 -0.16 3.97 5.36 -0.49 -1.01 117.98 127.86 3c1r s PHE 20 Ca -0.04 -0.79 -0.00 0.00 -0.96 0.00 0.00 56.93 55.13 3c1r s PHE 20 Cb -0.08 -1.32 0.03 0.00 -0.34 0.00 0.00 43.02 41.32 3c1r s PHE 20 CO -0.00 -0.40 -0.08 0.08 -1.46 0.00 0.00 175.22 173.35 3c1r s VAL 21 N 0.84 1.28 -0.18 3.12 1.01 0.54 -0.66 120.40 126.35 3c1r s VAL 21 Ca -0.10 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 60.95 3c1r s VAL 21 Cb -0.15 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.87 3c1r s VAL 21 CO 0.01 0.25 1.05 0.00 0.00 0.00 0.00 175.10 176.41 3c1r s ALA 22 N 1.57 3.60 0.13 5.51 0.00 0.83 -1.89 121.76 131.51 3c1r s ALA 22 Ca 0.02 0.28 0.02 0.00 0.00 0.00 0.00 51.96 52.28 3c1r s ALA 22 Cb -0.14 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.45 3c1r s ALA 22 CO -0.08 -0.92 0.09 0.45 0.00 0.00 0.00 175.76 175.29 3c1r n SER 23 N 5.91 0.20 -4.03 0.00 2.88 0.28 -2.07 113.62 116.80 3c1r n SER 23 Ca 0.11 -1.80 -0.08 0.00 -1.33 0.00 0.00 58.87 55.77 3c1r n SER 23 Cb 0.47 0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 64.36 3c1r n SER 23 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 3c1r s LYS 24 N -2.52 0.51 0.52 -1.46 1.02 -1.26 0.03 119.74 116.57 3c1r s LYS 24 Ca 0.12 -0.96 -0.21 0.00 0.02 0.00 0.00 55.97 54.94 3c1r s LYS 24 Cb 0.01 0.18 -0.06 0.00 -0.52 0.00 0.00 37.83 37.44 3c1r s LYS 24 CO 0.09 -0.10 1.18 0.95 -0.92 0.00 0.00 175.35 176.55 3c1r s THR 25 N -2.94 2.94 -1.17 2.17 -4.23 -1.26 -3.98 115.64 107.16 3c1r s THR 25 Ca -0.02 0.65 -0.18 0.00 -1.18 0.00 0.00 61.69 60.96 3c1r s THR 25 Cb 0.01 -3.30 -0.01 0.00 1.34 0.00 0.00 72.50 70.54 3c1r s THR 25 CO -0.06 -0.07 0.75 -1.22 -0.54 0.00 0.00 174.62 173.48 3c1r n TYR 26 N -0.97 -1.88 -3.82 3.99 4.02 -1.26 -4.97 117.16 112.27 3c1r n TYR 26 Ca 0.10 0.50 -0.30 0.00 -0.01 0.00 0.00 57.90 58.19 3c1r n TYR 26 Cb 0.49 -3.51 -0.15 0.00 -0.02 0.00 0.00 39.34 36.15 3c1r n TYR 26 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3c1r h PRO 28 N 7.95 0.48 0.00 0.00 0.11 -1.94 -0.58 132.00 138.03 3c1r h PRO 28 Ca -0.11 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.86 3c1r h PRO 28 Cb 1.02 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 3c1r h PRO 28 CO 0.48 0.32 -0.53 1.88 -0.21 0.00 0.00 178.00 179.94 3c1r h TYR 29 N 0.49 0.00 -0.16 0.65 0.05 -1.96 -0.90 116.97 115.13 3c1r h TYR 29 Ca 0.42 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 59.17 3c1r h TYR 29 Cb 0.61 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 3c1r h TYR 29 CO -0.14 0.53 -0.00 0.00 -1.05 0.00 0.00 178.16 177.49 3c1r h HIS 31 N 0.04 0.41 -0.47 0.00 -0.00 -0.97 -1.38 115.15 112.78 3c1r h HIS 31 Ca 0.05 0.02 0.08 0.00 -0.00 0.00 0.00 60.37 60.51 3c1r h HIS 31 Cb 0.38 -0.12 -0.07 0.00 -0.00 0.00 0.00 27.41 27.60 3c1r h HIS 31 CO 0.03 0.22 0.08 0.00 -0.00 0.00 0.00 177.93 178.26 3c1r h ALA 32 N 1.22 0.51 -0.38 5.26 0.00 -1.08 0.20 119.26 124.99 3c1r h ALA 32 Ca 0.18 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 3c1r h ALA 32 Cb 0.08 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3c1r h ALA 32 CO -0.12 -0.32 -0.04 0.00 0.00 0.00 0.00 179.25 178.77 3c1r h ALA 33 N 1.37 0.52 -0.43 0.00 0.00 -0.93 -1.77 119.26 118.02 3c1r h ALA 33 Ca 0.23 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 3c1r h ALA 33 Cb 0.31 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3c1r h ALA 33 CO -0.32 0.32 -0.24 -0.07 0.00 0.00 0.00 179.25 178.95 3c1r h LEU 34 N 0.51 0.91 -0.58 0.00 3.38 -1.08 -1.53 115.31 116.92 3c1r h LEU 34 Ca 0.10 -0.34 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3c1r h LEU 34 Cb 0.53 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 3c1r h LEU 34 CO 0.03 1.10 0.37 -1.13 0.09 0.00 0.00 178.44 178.89 3c1r h ASN 35 N 0.76 0.61 0.35 -0.43 -1.24 -0.91 0.14 115.58 114.86 3c1r h ASN 35 Ca 0.10 -0.01 -0.01 0.00 0.71 0.00 0.00 56.30 57.09 3c1r h ASN 35 Cb 0.79 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.68 3c1r h ASN 35 CO 0.07 0.44 -0.26 0.74 -1.29 0.00 0.00 177.43 177.12 3c1r h THR 36 N 0.74 0.45 0.23 -3.57 2.02 -1.09 -0.10 112.91 111.58 3c1r h THR 36 Ca 0.22 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.39 3c1r h THR 36 Cb -0.03 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3c1r h THR 36 CO -0.07 0.00 -0.12 -0.07 0.37 0.00 0.00 175.52 175.62 3c1r h LEU 37 N -0.61 -0.30 0.16 2.58 3.38 -1.14 0.88 115.31 120.25 3c1r h LEU 37 Ca -0.03 0.02 -0.34 0.00 0.09 0.00 0.00 57.88 57.62 3c1r h LEU 37 Cb 0.53 0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.37 3c1r h LEU 37 CO -0.00 -0.21 -1.74 -0.26 0.09 0.00 0.00 178.44 176.32 3c1r h PHE 38 N -0.33 0.62 0.00 1.13 0.04 -0.76 -0.40 116.94 117.24 3c1r h PHE 38 Ca -0.03 -0.45 -0.20 0.00 2.80 0.00 0.00 57.97 60.09 3c1r h PHE 38 Cb 0.27 -0.02 -0.03 0.00 2.20 0.00 0.00 35.95 38.36 3c1r h PHE 38 CO -0.07 1.68 -1.23 0.39 -0.60 0.00 0.00 178.31 178.48 3c1r n GLU 39 N -3.64 0.54 -0.03 1.51 -0.58 -0.14 -3.49 120.64 114.81 3c1r n GLU 39 Ca -0.26 0.51 -0.13 0.00 -0.42 0.00 0.00 57.16 56.86 3c1r n GLU 39 Cb 1.04 -1.69 -0.09 0.00 -0.57 0.00 0.00 31.44 30.12 3c1r n GLU 39 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3c1r h LYS 40 N -1.00 0.12 -0.03 3.49 1.79 -1.14 -3.35 116.57 116.46 3c1r h LYS 40 Ca -0.30 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.10 3c1r h LYS 40 Cb 1.14 0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.80 3c1r h LYS 40 CO -0.18 0.63 -0.05 1.28 -1.08 0.00 0.00 179.45 180.05 3c1r n LEU 41 N -4.72 2.79 -4.01 2.94 4.77 0.29 -4.98 117.00 114.08 3c1r n LEU 41 Ca -0.08 -0.97 -0.32 0.00 -0.03 0.00 0.00 56.01 54.61 3c1r n LEU 41 Cb 0.32 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3c1r n LEU 41 CO 0.36 0.47 0.06 0.29 -1.33 0.00 0.00 177.39 177.24 3c1r n LYS 42 N 1.13 -4.74 -2.22 3.23 5.02 -1.04 -4.95 118.16 114.60 3c1r n LYS 42 Ca 0.13 0.52 -0.42 0.00 -2.02 0.00 0.00 58.31 56.52 3c1r n LYS 42 Cb 0.56 -5.34 -0.03 0.00 -0.02 0.00 0.00 35.03 30.20 3c1r n LYS 42 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3c1r s VAL 43 N -3.32 3.66 0.03 -0.18 1.01 -0.19 -4.95 120.40 116.47 3c1r s VAL 43 Ca 0.66 1.07 -0.34 0.00 0.00 0.00 0.00 61.98 63.37 3c1r s VAL 43 Cb -0.34 -3.69 -0.13 0.00 0.00 0.00 0.00 36.38 32.22 3c1r s VAL 43 CO 0.86 0.01 1.72 -2.65 0.00 0.00 0.00 175.10 175.04 3c1r n PRO 44 N 5.20 2.13 -0.27 2.72 -0.02 -1.26 -4.52 135.00 138.98 3c1r n PRO 44 Ca 0.13 0.77 0.15 0.00 -2.02 0.00 0.00 63.50 62.54 3c1r n PRO 44 Cb 0.43 -2.58 0.43 0.00 -0.02 0.00 0.00 33.50 31.77 3c1r n PRO 44 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3c1r h ARG 45 N 7.51 0.56 0.00 -0.52 3.08 -1.94 -1.25 114.38 121.82 3c1r h ARG 45 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.55 3c1r h ARG 45 Cb 1.27 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.19 3c1r h ARG 45 CO 0.92 0.37 0.00 -1.13 -1.07 0.00 0.00 179.97 179.06 3c1r n SER 46 N -4.57 0.63 -0.03 7.04 3.41 -1.26 -1.66 113.62 117.17 3c1r n SER 46 Ca 0.19 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.61 3c1r n SER 46 Cb 0.59 -0.80 0.37 0.00 -0.26 0.00 0.00 64.21 64.11 3c1r n SER 46 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3c1r n LYS 47 N -2.22 0.11 -4.76 4.33 5.02 -0.47 -4.88 118.16 115.30 3c1r n LYS 47 Ca 0.02 -0.05 -0.33 0.00 -2.02 0.00 0.00 58.31 55.92 3c1r n LYS 47 Cb 0.19 -1.50 -0.15 0.00 -0.02 0.00 0.00 35.03 33.56 3c1r n LYS 47 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3c1r s VAL 48 N -2.92 2.88 -0.29 -0.18 1.01 -0.67 -3.06 120.40 117.17 3c1r s VAL 48 Ca 0.14 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.26 3c1r s VAL 48 Cb 0.18 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3c1r s VAL 48 CO 0.63 0.52 0.33 -0.22 0.00 0.00 0.00 175.10 176.36 3c1r s LEU 49 N 0.46 4.13 -0.22 3.92 2.96 -0.18 -4.99 118.68 124.77 3c1r s LEU 49 Ca -0.10 0.09 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 3c1r s LEU 49 Cb -0.16 -2.33 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 3c1r s LEU 49 CO 0.05 -0.19 -0.05 -0.69 -1.32 0.00 0.00 176.35 174.15 3c1r s VAL 50 N 1.98 3.33 -0.14 1.68 1.01 -1.26 -0.34 120.40 126.66 3c1r s VAL 50 Ca 0.12 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.56 3c1r s VAL 50 Cb -0.16 -2.51 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 3c1r s VAL 50 CO 0.11 0.43 -0.02 -0.76 0.00 0.00 0.00 175.10 174.86 3c1r s LEU 51 N 1.45 3.40 -0.54 3.92 1.43 -0.79 -4.97 118.68 122.58 3c1r s LEU 51 Ca 0.06 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 52.95 3c1r s LEU 51 Cb -0.14 -1.81 0.09 0.00 0.03 0.00 0.00 46.19 44.36 3c1r s LEU 51 CO -0.04 0.23 0.59 -1.10 0.23 0.00 0.00 176.35 176.27 3c1r s GLN 52 N -0.01 3.04 0.19 1.70 1.11 -1.26 0.10 119.66 124.54 3c1r s GLN 52 Ca 0.02 -1.30 -0.11 0.00 0.01 0.00 0.00 55.36 53.98 3c1r s GLN 52 Cb -0.13 -4.21 0.11 0.00 -1.01 0.00 0.00 33.01 27.77 3c1r s GLN 52 CO 0.02 -1.33 1.77 -0.07 0.01 0.00 0.00 175.29 175.69 3c1r h LEU 53 N 9.48 0.89 -2.81 2.90 3.38 -0.76 -2.82 115.31 125.58 3c1r h LEU 53 Ca -0.29 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.54 3c1r h LEU 53 Cb 1.10 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3c1r h LEU 53 CO 1.02 0.78 0.00 -0.55 0.09 0.00 0.00 178.44 179.78 3c1r h ASN 54 N 0.94 0.00 -0.49 -0.43 -1.07 -1.91 -1.87 115.58 110.74 3c1r h ASN 54 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.60 3c1r h ASN 54 Cb 0.14 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.39 3c1r h ASN 54 CO -0.03 0.00 0.00 0.47 0.07 0.00 0.00 177.43 177.94 3c1r n ASP 55 N -3.01 3.31 -4.54 6.14 8.00 -1.07 -4.94 116.55 120.45 3c1r n ASP 55 Ca -0.03 -2.00 -0.32 0.00 0.71 0.00 0.00 54.79 53.15 3c1r n ASP 55 Cb 0.08 -0.33 -0.12 0.00 -0.02 0.00 0.00 41.12 40.73 3c1r n ASP 55 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 3c1r s MET 56 N -1.00 2.51 0.20 -1.24 -1.94 -0.70 -5.01 119.30 112.11 3c1r s MET 56 Ca 0.33 -0.72 -0.11 0.00 -1.71 0.00 0.00 55.69 53.48 3c1r s MET 56 Cb 0.17 -2.44 0.17 0.00 2.01 0.00 0.00 34.83 34.74 3c1r s MET 56 CO 0.22 0.61 1.84 -0.22 -0.01 0.00 0.00 175.02 177.47 3c1r h LYS 57 N 4.87 0.79 0.00 2.03 3.64 -1.92 -1.92 116.57 124.06 3c1r h LYS 57 Ca -0.48 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3c1r h LYS 57 Cb 1.16 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3c1r h LYS 57 CO 0.52 0.52 0.00 0.39 -2.27 0.00 0.00 179.45 178.61 3c1r n GLU 58 N -4.69 0.99 0.28 1.90 -0.58 -1.26 -4.47 120.64 112.81 3c1r n GLU 58 Ca 0.07 0.00 -0.15 0.00 -0.42 0.00 0.00 57.16 56.66 3c1r n GLU 58 Cb 0.09 -1.04 -0.08 0.00 -0.57 0.00 0.00 31.44 29.84 3c1r n GLU 58 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3c1r h GLY 59 N 5.86 -1.12 0.60 0.62 0.00 -1.48 0.33 103.07 107.88 3c1r h GLY 59 Ca 0.00 0.48 0.09 0.00 0.00 0.00 0.00 47.33 47.90 3c1r h GLY 59 CO 0.00 -0.36 0.60 0.00 0.00 0.00 0.00 176.54 176.78 3c1r h ALA 60 N -1.24 1.38 -0.66 3.60 0.00 -1.79 -0.91 119.26 119.64 3c1r h ALA 60 Ca -0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 3c1r h ALA 60 Cb 0.71 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3c1r h ALA 60 CO 0.02 0.29 0.34 0.22 0.00 0.00 0.00 179.25 180.13 3c1r h ASP 61 N 1.03 0.84 -0.40 0.00 -0.00 -1.77 -0.59 116.42 115.53 3c1r h ASP 61 Ca 0.45 -0.11 -0.06 0.00 -0.00 0.00 0.00 57.03 57.30 3c1r h ASP 61 Cb 0.32 -0.22 -0.01 0.00 -0.00 0.00 0.00 39.33 39.42 3c1r h ASP 61 CO -0.22 0.72 0.02 0.40 -0.00 0.00 0.00 179.24 180.15 3c1r h ILE 62 N 0.91 1.26 -0.92 2.25 2.04 0.42 -1.50 117.51 121.96 3c1r h ILE 62 Ca 0.23 -0.98 0.04 0.00 1.00 0.00 0.00 64.86 65.14 3c1r h ILE 62 Cb 0.08 1.10 -0.05 0.00 -0.74 0.00 0.00 36.82 37.20 3c1r h ILE 62 CO -0.03 0.33 0.60 -0.61 0.00 0.00 0.00 178.15 178.44 3c1r h GLN 63 N 0.54 1.12 -0.42 2.37 4.15 -0.97 -0.76 115.11 121.14 3c1r h GLN 63 Ca 0.12 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.32 3c1r h GLN 63 Cb 0.45 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 3c1r h GLN 63 CO 0.02 0.74 -0.33 0.00 -1.93 0.00 0.00 178.83 177.33 3c1r h ALA 64 N 1.38 0.62 -0.46 3.38 0.00 -0.93 -2.01 119.26 121.24 3c1r h ALA 64 Ca 0.37 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.87 3c1r h ALA 64 Cb 0.01 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3c1r h ALA 64 CO -0.12 0.68 0.26 0.00 0.00 0.00 0.00 179.25 180.06 3c1r h ALA 65 N 0.82 0.59 -0.94 0.00 0.00 -0.91 -2.37 119.26 116.45 3c1r h ALA 65 Ca 0.08 0.00 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3c1r h ALA 65 Cb 0.92 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3c1r h ALA 65 CO 0.09 -0.07 0.62 -0.07 0.00 0.00 0.00 179.25 179.81 3c1r h LEU 66 N 0.52 1.09 -0.67 0.00 3.38 -0.98 -0.30 115.31 118.36 3c1r h LEU 66 Ca 0.19 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.18 3c1r h LEU 66 Cb 0.05 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.47 3c1r h LEU 66 CO -0.10 0.79 0.38 0.22 0.09 0.00 0.00 178.44 179.82 3c1r h TYR 67 N 1.28 0.69 -0.45 1.13 3.20 -1.08 0.98 116.97 122.72 3c1r h TYR 67 Ca 0.34 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.11 3c1r h TYR 67 Cb -0.14 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 37.91 3c1r h TYR 67 CO -0.00 0.34 -0.22 0.93 -1.64 0.00 0.00 178.16 177.56 3c1r h GLU 68 N 0.70 0.95 -0.12 1.82 5.08 -0.88 0.38 114.58 122.52 3c1r h GLU 68 Ca 0.30 -0.42 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 3c1r h GLU 68 Cb 0.17 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.39 3c1r h GLU 68 CO -0.17 1.08 -0.12 0.82 -1.00 0.00 0.00 179.01 179.62 3c1r h ILE 69 N 0.79 1.35 0.00 3.13 2.04 -0.72 -3.39 117.51 120.72 3c1r h ILE 69 Ca 0.10 -1.28 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3c1r h ILE 69 Cb 0.80 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3c1r h ILE 69 CO 0.07 0.37 0.00 -0.46 0.00 0.00 0.00 178.15 178.12 3c1r n ASN 70 N -4.61 0.46 0.00 1.72 0.23 0.31 -5.02 115.26 108.34 3c1r n ASN 70 Ca -0.07 -0.73 0.00 0.00 -0.53 0.00 0.00 54.58 53.26 3c1r n ASN 70 Cb 0.34 0.44 0.00 0.00 -2.08 0.00 0.00 39.78 38.48 3c1r n ASN 70 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3c1r n GLY 71 N 0.44 0.75 3.82 4.83 0.00 0.13 -5.01 105.19 110.16 3c1r n GLY 71 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 3c1r n GLY 71 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3c1r s GLN 72 N -0.01 3.75 0.00 1.61 0.74 -1.26 -4.96 119.66 119.53 3c1r s GLN 72 Ca 0.00 -0.12 0.09 0.00 0.05 0.00 0.00 55.36 55.38 3c1r s GLN 72 Cb 0.00 -3.28 0.07 0.00 1.10 0.00 0.00 33.01 30.90 3c1r s GLN 72 CO 0.00 0.59 0.79 2.89 -0.55 0.00 0.00 175.29 179.01 3c1r n ARG 73 N 2.56 0.28 -4.31 1.67 1.85 -1.26 -3.23 116.66 114.22 3c1r n ARG 73 Ca -0.18 -1.04 -0.24 0.00 -1.00 0.00 0.00 57.85 55.39 3c1r n ARG 73 Cb 0.54 -1.17 -0.08 0.00 -1.05 0.00 0.00 32.46 30.69 3c1r n ARG 73 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 3c1r s THR 74 N -0.77 3.33 0.06 8.89 -4.23 -1.26 -5.03 115.64 116.63 3c1r s THR 74 Ca 0.11 -1.89 0.02 0.00 -1.18 0.00 0.00 61.69 58.75 3c1r s THR 74 Cb 0.08 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 3c1r s THR 74 CO 0.11 -0.32 0.08 0.68 -0.54 0.00 0.00 174.62 174.64 3c1r s VAL 75 N -2.20 4.59 0.45 2.29 -7.23 -1.26 -4.19 120.40 112.84 3c1r s VAL 75 Ca 0.30 -0.69 -0.23 0.00 -1.81 0.00 0.00 61.98 59.55 3c1r s VAL 75 Cb -0.07 -3.19 -0.08 0.00 0.56 0.00 0.00 36.38 33.61 3c1r s VAL 75 CO 0.19 0.17 1.17 -2.16 -0.31 0.00 0.00 175.10 174.15 3c1r s PRO 76 N -2.26 3.82 -0.25 4.82 0.04 -1.26 -4.73 135.00 135.17 3c1r s PRO 76 Ca 0.28 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.12 3c1r s PRO 76 Cb -0.12 -2.46 0.07 0.00 0.04 0.00 0.00 34.50 32.03 3c1r s PRO 76 CO 0.21 -0.51 -0.00 1.21 0.04 0.00 0.00 177.00 177.95 3c1r s ASN 77 N -1.31 3.84 -0.12 6.66 3.84 -0.88 -3.92 114.94 123.05 3c1r s ASN 77 Ca 0.62 -1.31 -0.04 0.00 0.21 0.00 0.00 52.86 52.35 3c1r s ASN 77 Cb -0.29 -1.08 -0.03 0.00 -0.55 0.00 0.00 41.25 39.29 3c1r s ASN 77 CO 0.36 -0.29 0.02 -0.63 -2.79 0.00 0.00 177.10 173.76 3c1r s ILE 78 N 1.45 4.43 -0.03 -5.21 1.01 0.61 -0.12 121.20 123.35 3c1r s ILE 78 Ca -0.01 -0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.51 3c1r s ILE 78 Cb -0.18 -2.91 -0.01 0.00 0.01 0.00 0.00 42.46 39.37 3c1r s ILE 78 CO -0.10 0.56 -0.18 -0.31 0.00 0.00 0.00 174.94 174.91 3c1r s TYR 79 N -0.49 1.72 -0.10 3.97 1.51 0.17 -0.29 117.35 123.84 3c1r s TYR 79 Ca 0.09 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.76 3c1r s TYR 79 Cb -0.12 -1.13 0.02 0.00 -0.11 0.00 0.00 41.96 40.62 3c1r s TYR 79 CO 0.02 -0.10 -0.13 0.42 -1.11 0.00 0.00 175.55 174.65 3c1r s ILE 80 N -0.22 1.33 -1.50 2.71 1.01 -0.49 -1.40 121.20 122.63 3c1r s ILE 80 Ca 0.02 -0.54 -0.13 0.00 0.00 0.00 0.00 60.65 59.99 3c1r s ILE 80 Cb -0.09 -1.23 0.09 0.00 0.01 0.00 0.00 42.46 41.24 3c1r s ILE 80 CO 0.01 0.41 0.77 -3.20 0.00 0.00 0.00 174.94 172.93 3c1r n ASN 81 N 4.21 -4.25 0.00 3.58 2.85 0.70 -1.24 115.26 121.11 3c1r n ASN 81 Ca -0.19 -0.68 0.00 0.00 -0.11 0.00 0.00 54.58 53.60 3c1r n ASN 81 Cb 0.51 -3.44 0.00 0.00 1.24 0.00 0.00 39.78 38.09 3c1r n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3c1r n GLY 82 N -1.46 1.85 3.76 8.20 0.00 -1.26 -5.02 105.19 111.27 3c1r n GLY 82 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 3c1r n GLY 82 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3c1r s LYS 83 N -0.29 4.09 -0.12 1.61 2.20 -0.37 -4.94 119.74 121.92 3c1r s LYS 83 Ca 0.00 0.02 -0.29 0.00 -0.36 0.00 0.00 55.97 55.34 3c1r s LYS 83 Cb 0.00 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.91 3c1r s LYS 83 CO 0.00 0.38 1.54 -1.58 -0.36 0.00 0.00 175.35 175.32 3c1r s HIS 84 N 0.07 2.25 -0.20 4.03 5.65 -1.26 -1.40 115.29 124.42 3c1r s HIS 84 Ca 0.15 0.49 -0.19 0.00 0.25 0.00 0.00 55.06 55.76 3c1r s HIS 84 Cb -0.13 -3.81 -0.16 0.00 -1.18 0.00 0.00 32.58 27.30 3c1r s HIS 84 CO 0.03 -3.07 0.09 -0.89 -0.65 0.00 0.00 174.74 170.26 3c1r n ILE 85 N 5.63 1.51 0.00 0.89 2.08 0.60 -4.96 119.36 125.11 3c1r n ILE 85 Ca 0.17 -0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.46 3c1r n ILE 85 Cb 0.44 -2.09 0.00 0.00 -0.75 0.00 0.00 39.64 37.24 3c1r n ILE 85 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3c1r n GLY 86 N 1.45 0.13 0.00 7.39 0.00 -1.12 -4.72 105.19 108.31 3c1r n GLY 86 Ca -0.30 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.04 3c1r n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3c1r n GLY 87 N 0.00 2.42 0.37 -0.02 0.00 -1.25 -0.28 105.19 106.43 3c1r n GLY 87 Ca 0.00 -2.07 -0.02 0.00 0.00 0.00 0.00 46.02 43.93 3c1r n GLY 87 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3c1r h ASN 88 N 0.00 1.09 -0.34 1.61 -1.24 -1.83 -2.09 115.58 112.78 3c1r h ASN 88 Ca 0.00 -0.03 0.06 0.00 0.71 0.00 0.00 56.30 57.04 3c1r h ASN 88 Cb 0.00 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 38.72 3c1r h ASN 88 CO 0.00 0.80 0.00 0.44 -1.29 0.00 0.00 177.43 177.38 3c1r h ASP 89 N 1.29 -0.13 -0.42 1.15 3.32 -1.95 -0.64 116.42 119.03 3c1r h ASP 89 Ca 0.35 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 3c1r h ASP 89 Cb -0.14 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3c1r h ASP 89 CO -0.07 -0.03 0.20 0.44 -1.72 0.00 0.00 179.24 178.06 3c1r h ASP 90 N 0.10 0.55 -0.59 6.45 3.32 -1.82 -1.44 116.42 122.99 3c1r h ASP 90 Ca 0.17 -0.12 0.03 0.00 0.02 0.00 0.00 57.03 57.12 3c1r h ASP 90 Cb 0.23 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.60 3c1r h ASP 90 CO -0.28 0.52 0.36 0.25 -1.72 0.00 0.00 179.24 178.37 3c1r h LEU 91 N 0.54 0.59 -0.61 1.55 5.85 -1.00 -1.55 115.31 120.68 3c1r h LEU 91 Ca 0.14 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.73 3c1r h LEU 91 Cb 0.11 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3c1r h LEU 91 CO -0.02 0.41 -0.38 1.56 -0.34 0.00 0.00 178.44 179.67 3c1r h GLN 92 N 0.72 0.67 -0.34 1.25 1.08 -0.96 -1.71 115.11 115.82 3c1r h GLN 92 Ca 0.24 -0.34 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 3c1r h GLN 92 Cb 0.02 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.44 3c1r h GLN 92 CO -0.10 0.94 0.17 0.93 -0.95 0.00 0.00 178.83 179.82 3c1r h GLU 93 N 0.56 0.50 -0.58 1.46 5.08 -1.05 -1.25 114.58 119.30 3c1r h GLU 93 Ca 0.05 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3c1r h GLU 93 Cb 0.91 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.04 3c1r h GLU 93 CO 0.08 0.45 0.27 -0.07 -1.00 0.00 0.00 179.01 178.74 3c1r h LEU 94 N 0.42 0.73 -0.45 1.33 3.38 -1.20 -2.73 115.31 116.80 3c1r h LEU 94 Ca 0.12 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3c1r h LEU 94 Cb 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3c1r h LEU 94 CO -0.02 0.63 0.16 -0.09 0.09 0.00 0.00 178.44 179.21 3c1r h ARG 95 N 0.82 0.69 -0.27 1.13 2.43 -1.01 -1.27 114.38 116.90 3c1r h ARG 95 Ca 0.20 -0.14 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 3c1r h ARG 95 Cb 0.10 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.53 3c1r h ARG 95 CO -0.03 0.65 -0.15 1.49 -1.51 0.00 0.00 179.97 180.43 3c1r h GLU 96 N 0.59 0.46 0.00 0.20 4.57 -0.94 -2.13 114.58 117.33 3c1r h GLU 96 Ca 0.15 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.19 3c1r h GLU 96 Cb 0.24 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 28.78 3c1r h GLU 96 CO -0.01 0.60 -0.00 0.25 -1.18 0.00 0.00 179.01 178.67 3c1r n THR 97 N -4.19 0.40 -0.31 0.32 -2.24 -1.07 -4.93 114.28 102.26 3c1r n THR 97 Ca 0.00 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 3c1r n THR 97 Cb 0.33 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 3c1r n THR 97 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3c1r n GLY 98 N 1.37 0.93 0.26 3.38 0.00 -0.80 -4.96 105.19 105.38 3c1r n GLY 98 Ca 0.06 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3c1r n GLY 98 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3c1r h GLU 99 N 3.77 0.82 -0.81 1.61 5.08 -1.56 -3.18 114.58 120.31 3c1r h GLU 99 Ca 0.00 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.01 3c1r h GLU 99 Cb 0.00 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.19 3c1r h GLU 99 CO 0.00 1.02 0.52 1.25 -1.00 0.00 0.00 179.01 180.80 3c1r h LEU 100 N 0.69 0.86 -0.63 1.33 5.85 -1.54 -0.80 115.31 121.06 3c1r h LEU 100 Ca 0.07 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.90 3c1r h LEU 100 Cb 0.86 -0.19 -0.08 0.00 0.37 0.00 0.00 40.66 41.62 3c1r h LEU 100 CO 0.08 0.59 0.19 -0.08 -0.34 0.00 0.00 178.44 178.88 3c1r h GLU 101 N 1.01 0.33 -0.03 1.25 4.81 -1.83 0.25 114.58 120.37 3c1r h GLU 101 Ca 0.32 -0.02 -0.14 0.00 -0.13 0.00 0.00 59.36 59.40 3c1r h GLU 101 Cb 0.01 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 3c1r h GLU 101 CO -0.11 0.22 -0.60 0.93 -0.73 0.00 0.00 179.01 178.72 3c1r h GLU 102 N 0.34 0.11 -0.22 1.92 5.08 -1.40 -2.18 114.58 118.23 3c1r h GLU 102 Ca 0.33 -0.08 -0.13 0.00 -1.00 0.00 0.00 59.36 58.48 3c1r h GLU 102 Cb 0.47 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3c1r h GLU 102 CO -0.37 0.68 -0.41 -0.07 -1.00 0.00 0.00 179.01 177.84 3c1r h LEU 103 N 0.08 0.55 0.00 1.33 3.38 -0.24 -3.22 115.31 117.20 3c1r h LEU 103 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.72 3c1r h LEU 103 Cb 1.08 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3c1r h LEU 103 CO 0.09 0.90 -0.31 -0.07 0.09 0.00 0.00 178.44 179.14 3c1r h LEU 104 N 0.43 0.00 -0.23 1.67 3.38 -0.86 -3.39 115.31 116.31 3c1r h LEU 104 Ca 0.04 -0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3c1r h LEU 104 Cb 0.90 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 3c1r h LEU 104 CO 0.08 0.00 -0.23 -0.08 0.09 0.00 0.00 178.44 178.29 3c1r h GLU 105 N 0.00 -0.24 -0.09 1.13 4.22 -1.40 0.48 114.58 118.68 3c1r h GLU 105 Ca 0.00 0.02 -0.05 0.00 0.08 0.00 0.00 59.36 59.41 3c1r h GLU 105 Cb 1.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3c1r h GLU 105 CO 0.00 -0.16 -0.18 -1.35 -2.18 0.00 0.00 179.01 175.15 3c1r h PRO 106 N -0.25 0.15 -0.12 0.92 0.11 -1.78 -2.60 132.00 128.43 3c1r h PRO 106 Ca 0.13 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.14 3c1r h PRO 106 Cb 0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.54 3c1r h PRO 106 CO -0.37 0.32 -0.18 0.82 -0.21 0.00 0.00 178.00 178.38 3c1r h ILE 107 N 0.14 1.37 0.00 4.15 2.04 -1.63 -3.00 117.51 120.58 3c1r h ILE 107 Ca 0.03 -1.42 0.00 0.00 1.00 0.00 0.00 64.86 64.47 3c1r h ILE 107 Cb 0.40 2.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.50 3c1r h ILE 107 CO 0.03 0.41 0.00 0.18 0.00 0.00 0.00 178.15 178.77 3c1r n LEU 108 N -4.54 0.00 -0.26 1.44 4.77 0.10 -5.06 117.00 113.45 3c1r n LEU 108 Ca -0.07 0.30 0.03 0.00 -0.03 0.00 0.00 56.01 56.24 3c1r n LEU 108 Cb 0.39 -0.30 0.03 0.00 -2.33 0.00 0.00 43.42 41.21 3c1r n LEU 108 CO 0.40 -0.21 0.35 0.00 -1.33 0.00 0.00 177.39 176.60