#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c2r s ASP 2 N 0.00 6.45 0.32 1.61 2.15 -1.26 -4.81 116.67 121.13 1c2r s ASP 2 Ca 0.00 0.05 0.04 0.00 0.43 0.00 0.00 52.55 53.07 1c2r s ASP 2 Cb 0.00 -2.38 0.53 0.00 -0.30 0.00 0.00 42.92 40.78 1c2r s ASP 2 CO 0.00 -0.81 1.82 0.00 -0.17 0.00 0.00 175.17 176.01 1c2r h ALA 3 N 8.75 1.28 -0.04 3.66 0.00 -1.87 0.34 119.26 131.38 1c2r h ALA 3 Ca -0.25 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.44 1c2r h ALA 3 Cb 1.09 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1c2r h ALA 3 CO 0.93 0.48 -0.13 0.00 0.00 0.00 0.00 179.25 180.53 1c2r h ALA 4 N 1.43 -0.11 -0.09 0.00 0.00 -1.92 2.20 119.26 120.78 1c2r h ALA 4 Ca 0.10 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1c2r h ALA 4 Cb 0.43 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1c2r h ALA 4 CO 0.02 -0.60 -0.14 0.87 0.00 0.00 0.00 179.25 179.40 1c2r h LYS 5 N -0.19 0.26 -0.72 0.00 1.57 -1.80 -3.01 116.57 112.67 1c2r h LYS 5 Ca 0.06 -0.15 0.16 0.00 -1.87 0.00 0.00 60.65 58.85 1c2r h LYS 5 Cb 0.27 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.48 1c2r h LYS 5 CO -0.15 0.72 0.08 0.78 -0.57 0.00 0.00 179.45 180.31 1c2r h GLY 6 N -0.19 0.90 0.12 3.86 0.00 0.24 0.39 103.07 108.39 1c2r h GLY 6 Ca 0.01 0.04 0.16 0.00 0.00 0.00 0.00 47.33 47.54 1c2r h GLY 6 CO 0.03 -0.24 0.37 -2.09 0.00 0.00 0.00 176.54 174.61 1c2r h GLU 7 N 0.17 0.50 -0.00 4.80 4.81 0.38 0.34 114.58 125.57 1c2r h GLU 7 Ca 0.40 -0.03 -0.18 0.00 -0.13 0.00 0.00 59.36 59.42 1c2r h GLU 7 Cb 0.70 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1c2r h GLU 7 CO -0.58 0.33 -0.83 0.87 -0.73 0.00 0.00 179.01 178.07 1c2r h LYS 8 N 0.51 0.12 -0.11 1.92 1.57 -0.33 -2.96 116.57 117.30 1c2r h LYS 8 Ca 0.46 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 59.09 1c2r h LYS 8 Cb 0.71 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1c2r h LYS 8 CO -0.41 0.88 -0.04 0.93 -0.57 0.00 0.00 179.45 180.24 1c2r h GLU 9 N 0.07 0.15 -0.30 3.15 4.39 0.23 -2.56 114.58 119.70 1c2r h GLU 9 Ca -0.03 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.74 1c2r h GLU 9 Cb 1.44 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 30.05 1c2r h GLU 9 CO 0.12 0.21 0.39 0.35 -1.16 0.00 0.00 179.01 178.92 1c2r h PHE 10 N 0.15 0.00 -0.13 4.33 3.57 -0.47 -1.78 116.94 122.61 1c2r h PHE 10 Ca 0.04 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.57 1c2r h PHE 10 Cb 0.18 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 1c2r h PHE 10 CO 0.00 0.00 0.18 -0.91 -2.23 0.00 0.00 178.31 175.35 1c2r h ASN 11 N 0.00 0.00 0.85 0.41 4.21 -1.60 0.12 115.58 119.57 1c2r h ASN 11 Ca 0.14 0.00 -0.18 0.00 1.21 0.00 0.00 56.30 57.47 1c2r h ASN 11 Cb 0.92 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.09 1c2r h ASN 11 CO -0.00 0.00 -1.24 0.07 -1.29 0.00 0.00 177.43 174.97 1c2r h LYS 12 N 0.00 0.00 -0.11 0.81 2.10 -1.56 -3.29 116.57 114.53 1c2r h LYS 12 Ca 0.06 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.56 1c2r h LYS 12 Cb 0.41 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.73 1c2r h LYS 12 CO -0.00 0.43 -0.60 0.00 -2.00 0.00 0.00 179.45 177.29 1c2r h LYS 14 N 0.27 0.00 0.00 0.00 3.64 -1.11 0.27 116.57 119.63 1c2r h LYS 14 Ca -0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1c2r h LYS 14 Cb 1.12 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.94 1c2r h LYS 14 CO 0.10 0.00 -0.06 1.15 -2.27 0.00 0.00 179.45 178.37 1c2r h THR 15 N 0.00 0.60 0.00 1.00 2.02 -1.72 -2.55 112.91 112.26 1c2r h THR 15 Ca 0.01 -0.25 0.00 0.00 0.77 0.00 0.00 66.41 66.94 1c2r h THR 15 Cb 0.59 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 1c2r h THR 15 CO -0.00 0.06 -0.55 0.00 0.37 0.00 0.00 175.52 175.39 1c2r s HIS 17 N -1.26 2.44 0.44 0.00 3.76 -0.09 -0.21 115.29 120.37 1c2r s HIS 17 Ca 0.00 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.62 1c2r s HIS 17 Cb 0.00 -1.13 -0.03 0.00 1.11 0.00 0.00 32.58 32.53 1c2r s HIS 17 CO 0.00 0.65 0.06 -1.12 -0.85 0.00 0.00 174.74 173.49 1c2r s SER 18 N -3.59 3.35 -0.36 1.40 0.01 -1.20 -3.12 113.70 110.20 1c2r s SER 18 Ca 0.31 -1.61 0.01 0.00 1.31 0.00 0.00 55.95 55.97 1c2r s SER 18 Cb -0.04 0.37 0.14 0.00 0.21 0.00 0.00 66.02 66.70 1c2r s SER 18 CO 0.17 -0.83 0.25 -0.63 0.41 0.00 0.00 173.24 172.61 1c2r s ILE 19 N -3.05 0.02 -0.23 1.44 1.01 -0.83 -1.04 121.20 118.53 1c2r s ILE 19 Ca 0.19 -1.54 -0.01 0.00 0.00 0.00 0.00 60.65 59.30 1c2r s ILE 19 Cb 0.04 -1.00 0.02 0.00 0.01 0.00 0.00 42.46 41.53 1c2r s ILE 19 CO 0.11 -0.90 -0.10 -0.63 0.00 0.00 0.00 174.94 173.41 1c2r s ILE 20 N 1.15 2.61 1.07 2.92 1.01 -1.26 -0.17 121.20 128.53 1c2r s ILE 20 Ca 0.18 -1.02 -0.14 0.00 0.00 0.00 0.00 60.65 59.67 1c2r s ILE 20 Cb -0.21 -2.27 0.14 0.00 0.01 0.00 0.00 42.46 40.13 1c2r s ILE 20 CO 0.00 0.29 0.54 0.00 0.00 0.00 0.00 174.94 175.77 1c2r n ALA 21 N 4.64 -2.97 -0.07 9.38 0.00 0.12 -4.77 120.51 126.84 1c2r n ALA 21 Ca -0.18 -0.99 0.04 0.00 0.00 0.00 0.00 53.44 52.31 1c2r n ALA 21 Cb 0.48 -1.81 0.38 0.00 0.00 0.00 0.00 19.45 18.50 1c2r n ALA 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1c2r h PRO 22 N -2.09 0.65 0.00 0.00 0.11 -1.98 0.37 132.00 129.05 1c2r h PRO 22 Ca -0.52 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.55 1c2r h PRO 22 Cb 1.32 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1c2r h PRO 22 CO 0.41 0.43 0.00 -0.40 -0.21 0.00 0.00 178.00 178.22 1c2r n ASP 23 N -4.46 0.00 0.00 -2.05 3.85 -1.26 -4.87 116.55 107.76 1c2r n ASP 23 Ca 0.05 0.04 0.00 0.00 -0.71 0.00 0.00 54.79 54.17 1c2r n ASP 23 Cb 0.08 -0.32 0.00 0.00 -1.35 0.00 0.00 41.12 39.53 1c2r n ASP 23 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1c2r n GLY 24 N 0.73 0.57 3.69 6.12 0.00 0.12 -5.06 105.19 111.37 1c2r n GLY 24 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1c2r n GLY 24 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1c2r s THR 25 N -2.00 3.64 -0.79 2.61 2.01 -1.26 -4.72 115.64 115.14 1c2r s THR 25 Ca 0.00 1.03 -0.26 0.00 0.31 0.00 0.00 61.69 62.77 1c2r s THR 25 Cb 0.00 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1c2r s THR 25 CO 0.00 -0.00 1.30 -1.61 -0.69 0.00 0.00 174.62 173.62 1c2r s GLU 26 N 2.39 3.26 0.14 4.92 2.02 -1.26 0.14 118.70 130.30 1c2r s GLU 26 Ca 0.65 -0.41 0.04 0.00 0.02 0.00 0.00 54.97 55.27 1c2r s GLU 26 Cb -0.32 -4.38 -0.11 0.00 0.10 0.00 0.00 34.13 29.41 1c2r s GLU 26 CO 0.27 -2.15 1.31 0.82 0.02 0.00 0.00 175.26 175.54 1c2r h ILE 27 N 6.16 1.59 -2.57 -1.63 1.08 -0.92 -3.42 117.51 117.80 1c2r h ILE 27 Ca -0.20 -3.01 -0.31 0.00 -0.39 0.00 0.00 64.86 60.95 1c2r h ILE 27 Cb 1.04 2.69 -0.36 0.00 -3.07 0.00 0.00 36.82 37.13 1c2r h ILE 27 CO 1.30 0.87 -0.62 -0.69 -0.69 0.00 0.00 178.15 178.32 1c2r s VAL 28 N -2.93 -0.33 -0.16 1.67 1.01 -0.51 -4.97 120.40 114.19 1c2r s VAL 28 Ca -0.01 -0.06 -0.29 0.00 0.00 0.00 0.00 61.98 61.61 1c2r s VAL 28 Cb 0.10 -0.64 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1c2r s VAL 28 CO 0.83 -0.16 1.05 -0.54 0.00 0.00 0.00 175.10 176.27 1c2r s LYS 29 N 2.33 4.34 0.00 2.72 1.02 -1.26 -1.96 119.74 126.93 1c2r s LYS 29 Ca 0.06 1.41 0.00 0.00 0.02 0.00 0.00 55.97 57.47 1c2r s LYS 29 Cb -0.15 -3.60 0.00 0.00 -0.52 0.00 0.00 37.83 33.56 1c2r s LYS 29 CO -0.11 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 1c2r n GLY 30 N 3.23 5.43 0.58 -3.33 0.00 -1.26 -4.96 105.19 104.89 1c2r n GLY 30 Ca 0.10 -0.98 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 1c2r n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c2r n ALA 31 N -3.00 -0.01 -0.76 4.61 0.00 -0.96 -4.79 120.51 115.59 1c2r n ALA 31 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 53.44 53.17 1c2r n ALA 31 Cb 0.00 0.04 0.02 0.00 0.00 0.00 0.00 19.45 19.50 1c2r n ALA 31 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c2r n LYS 32 N -1.30 1.26 0.11 0.00 5.02 -1.19 -3.25 118.16 118.81 1c2r n LYS 32 Ca 0.02 -1.18 -0.02 0.00 -2.02 0.00 0.00 58.31 55.11 1c2r n LYS 32 Cb 0.09 -0.80 0.20 0.00 -0.02 0.00 0.00 35.03 34.49 1c2r n LYS 32 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1c2r h THR 33 N 2.04 1.35 -2.10 -0.18 2.02 -1.72 -3.44 112.91 110.88 1c2r h THR 33 Ca 0.00 -1.73 -0.54 0.00 0.77 0.00 0.00 66.41 64.91 1c2r h THR 33 Cb 0.87 1.85 -0.07 0.00 -1.74 0.00 0.00 68.15 69.05 1c2r h THR 33 CO 0.00 0.51 -0.58 -0.83 0.37 0.00 0.00 175.52 174.99 1c2r s GLY 34 N -4.30 1.67 0.77 2.16 0.00 0.70 -5.02 107.32 103.30 1c2r s GLY 34 Ca -0.04 -1.64 -0.11 0.00 0.00 0.00 0.00 44.72 42.93 1c2r s GLY 34 CO 0.77 -1.65 1.10 2.56 0.00 0.00 0.00 173.10 175.88 1c2r s PRO 35 N -3.78 2.35 0.26 2.90 0.04 -1.26 -4.63 135.00 130.88 1c2r s PRO 35 Ca 0.34 0.55 -0.30 0.00 0.04 0.00 0.00 61.00 61.63 1c2r s PRO 35 Cb -0.06 -1.96 -0.11 0.00 0.04 0.00 0.00 34.50 32.42 1c2r s PRO 35 CO 0.22 -1.42 1.59 1.21 0.04 0.00 0.00 177.00 178.65 1c2r s ASN 36 N -4.09 6.43 0.00 6.66 3.04 -1.26 -4.28 114.94 121.44 1c2r s ASN 36 Ca 0.60 2.87 0.23 0.00 0.04 0.00 0.00 52.86 56.60 1c2r s ASN 36 Cb -0.13 -2.62 0.31 0.00 -1.54 0.00 0.00 41.25 37.26 1c2r s ASN 36 CO 0.53 -0.89 1.32 0.18 -3.04 0.00 0.00 177.10 175.21 1c2r n LEU 37 N 2.62 3.22 -4.71 3.21 4.77 -0.21 -4.82 117.00 121.08 1c2r n LEU 37 Ca 0.10 -1.27 -0.42 0.00 -0.03 0.00 0.00 56.01 54.39 1c2r n LEU 37 Cb 0.38 -0.13 -0.03 0.00 -2.33 0.00 0.00 43.42 41.30 1c2r n LEU 37 CO 0.63 0.63 1.26 -0.47 -1.33 0.00 0.00 177.39 178.11 1c2r s TYR 38 N -1.70 2.95 -0.80 -1.77 6.14 -1.26 -1.85 117.35 119.06 1c2r s TYR 38 Ca 0.33 0.55 0.00 0.00 0.64 0.00 0.00 57.07 58.59 1c2r s TYR 38 Cb 0.21 -3.96 0.00 0.00 0.42 0.00 0.00 41.96 38.63 1c2r s TYR 38 CO 0.30 -3.59 0.00 0.41 0.64 0.00 0.00 175.55 173.31 1c2r n GLY 39 N 3.82 0.92 0.26 8.97 0.00 -1.26 -4.89 105.19 113.00 1c2r n GLY 39 Ca 0.14 -0.38 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1c2r n GLY 39 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1c2r h VAL 40 N 0.00 1.15 -2.35 1.61 3.04 -1.69 -3.38 116.25 114.64 1c2r h VAL 40 Ca -0.15 -0.63 -0.57 0.00 -1.01 0.00 0.00 66.70 64.34 1c2r h VAL 40 Cb 0.64 1.06 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 1c2r h VAL 40 CO 0.23 0.20 1.33 -0.69 -1.01 0.00 0.00 177.57 177.63 1c2r s VAL 41 N -4.90 3.24 0.00 1.51 1.01 -1.26 -1.44 120.40 118.56 1c2r s VAL 41 Ca -0.06 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.18 1c2r s VAL 41 Cb 0.16 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1c2r s VAL 41 CO 0.73 -0.14 0.00 0.61 0.00 0.00 0.00 175.10 176.30 1c2r n GLY 42 N 5.25 0.73 3.85 4.51 0.00 0.13 -4.98 105.19 114.68 1c2r n GLY 42 Ca 0.24 -0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 1c2r n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1c2r s ARG 43 N -0.78 3.33 0.23 1.61 3.52 -0.52 -4.73 118.95 121.60 1c2r s ARG 43 Ca 0.00 -0.28 -0.30 0.00 -0.13 0.00 0.00 55.73 55.02 1c2r s ARG 43 Cb 0.00 -3.06 -0.10 0.00 -1.56 0.00 0.00 34.95 30.23 1c2r s ARG 43 CO 0.00 0.72 1.47 0.99 -0.81 0.00 0.00 175.30 177.67 1c2r s THR 44 N -1.13 2.65 0.56 4.11 2.01 -1.26 -1.47 115.64 121.11 1c2r s THR 44 Ca 0.20 0.53 -0.21 0.00 0.31 0.00 0.00 61.69 62.51 1c2r s THR 44 Cb -0.12 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.01 1c2r s THR 44 CO 0.10 0.07 1.32 0.00 -0.69 0.00 0.00 174.62 175.43 1c2r n ALA 45 N 2.75 1.43 -3.31 7.40 0.00 0.22 -3.55 120.51 125.44 1c2r n ALA 45 Ca 0.09 0.11 -0.24 0.00 0.00 0.00 0.00 53.44 53.39 1c2r n ALA 45 Cb 0.40 -2.33 0.04 0.00 0.00 0.00 0.00 19.45 17.56 1c2r n ALA 45 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c2r n GLY 46 N 0.82 -0.53 0.00 0.00 0.00 -1.26 -3.56 105.19 100.66 1c2r n GLY 46 Ca 0.11 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.31 1c2r n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1c2r n THR 47 N -4.63 0.00 -1.69 2.61 -2.24 -1.23 -4.70 114.28 102.40 1c2r n THR 47 Ca -0.05 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 1c2r n THR 47 Cb 0.59 1.15 0.01 0.00 -2.10 0.00 0.00 70.33 69.97 1c2r n THR 47 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1c2r n TYR 48 N -0.33 2.03 -2.37 4.78 9.36 -1.26 -4.89 117.16 124.48 1c2r n TYR 48 Ca 0.00 0.52 -0.37 0.00 3.32 0.00 0.00 57.90 61.38 1c2r n TYR 48 Cb 0.04 -2.36 -0.02 0.00 -0.63 0.00 0.00 39.34 36.36 1c2r n TYR 48 CO 0.00 0.00 0.00 -2.14 0.22 0.00 0.00 176.86 174.94 1c2r s PRO 49 N -2.09 3.89 -2.06 2.98 0.02 -1.26 -3.69 135.00 132.79 1c2r s PRO 49 Ca 0.60 1.66 0.00 0.00 0.02 0.00 0.00 61.00 63.28 1c2r s PRO 49 Cb -0.53 -2.43 0.00 0.00 0.02 0.00 0.00 34.50 31.56 1c2r s PRO 49 CO 0.59 -0.41 0.00 0.39 -0.33 0.00 0.00 177.00 177.24 1c2r n GLU 50 N -0.39 -1.51 -4.52 5.54 1.02 -1.26 -4.99 120.64 114.53 1c2r n GLU 50 Ca 0.07 1.16 -0.33 0.00 -0.02 0.00 0.00 57.16 58.03 1c2r n GLU 50 Cb 0.49 -5.62 -0.15 0.00 -0.02 0.00 0.00 31.44 26.14 1c2r n GLU 50 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c2r s PHE 51 N -2.85 2.81 -0.40 -0.32 5.36 -1.24 -5.09 117.98 116.24 1c2r s PHE 51 Ca 0.00 -0.91 -0.22 0.00 -0.96 0.00 0.00 56.93 54.83 1c2r s PHE 51 Cb 0.00 -1.90 0.02 0.00 -0.34 0.00 0.00 43.02 40.79 1c2r s PHE 51 CO 0.00 -0.41 0.74 0.21 -1.46 0.00 0.00 175.22 174.31 1c2r s LYS 52 N 0.76 3.56 0.50 10.12 2.36 -1.26 -4.93 119.74 130.84 1c2r s LYS 52 Ca -0.05 0.03 0.03 0.00 -2.55 0.00 0.00 55.97 53.42 1c2r s LYS 52 Cb -0.15 -3.87 0.02 0.00 -1.05 0.00 0.00 37.83 32.77 1c2r s LYS 52 CO 0.01 -0.95 0.71 0.71 1.55 0.00 0.00 175.35 177.37 1c2r s TYR 53 N 3.08 2.91 0.67 4.03 1.51 -1.26 -5.09 117.35 123.21 1c2r s TYR 53 Ca 0.29 -0.06 -0.11 0.00 -1.01 0.00 0.00 57.07 56.17 1c2r s TYR 53 Cb -0.13 -2.59 -0.01 0.00 -0.11 0.00 0.00 41.96 39.13 1c2r s TYR 53 CO 0.19 -0.68 1.06 0.15 -1.11 0.00 0.00 175.55 175.16 1c2r s LYS 54 N -4.63 3.14 0.32 -0.62 -0.14 -1.26 -4.95 119.74 111.61 1c2r s LYS 54 Ca 0.55 0.74 0.07 0.00 -1.36 0.00 0.00 55.97 55.97 1c2r s LYS 54 Cb -0.10 -2.03 0.75 0.00 -1.68 0.00 0.00 37.83 34.77 1c2r s LYS 54 CO 0.37 -0.90 1.81 -0.44 -0.76 0.00 0.00 175.35 175.44 1c2r h ASP 55 N -0.56 0.75 -0.14 2.83 3.45 -1.99 -3.20 116.42 117.57 1c2r h ASP 55 Ca -0.44 0.07 -0.02 0.00 0.43 0.00 0.00 57.03 57.07 1c2r h ASP 55 Cb 1.21 -0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 39.91 1c2r h ASP 55 CO 0.61 0.32 0.03 0.28 -1.57 0.00 0.00 179.24 178.91 1c2r h SER 56 N 0.76 0.23 -0.09 6.45 0.02 -1.93 -2.03 113.55 116.95 1c2r h SER 56 Ca 0.53 -0.25 -0.04 0.00 -0.84 0.00 0.00 61.79 61.18 1c2r h SER 56 Cb 0.81 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.28 1c2r h SER 56 CO -0.30 0.42 -0.05 -0.29 -1.14 0.00 0.00 176.83 175.47 1c2r h ILE 57 N 0.02 1.17 -0.41 3.27 2.10 -1.84 -0.04 117.51 121.78 1c2r h ILE 57 Ca 0.04 -0.70 -0.00 0.00 1.08 0.00 0.00 64.86 65.28 1c2r h ILE 57 Cb 0.29 1.06 -0.02 0.00 -1.09 0.00 0.00 36.82 37.06 1c2r h ILE 57 CO 0.00 0.23 0.25 0.58 -1.08 0.00 0.00 178.15 178.13 1c2r h VAL 58 N 0.33 1.13 -0.20 2.19 2.07 -1.51 -1.31 116.25 118.95 1c2r h VAL 58 Ca 0.07 -0.30 -0.12 0.00 0.82 0.00 0.00 66.70 67.17 1c2r h VAL 58 Cb 0.31 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1c2r h VAL 58 CO 0.01 0.13 -0.39 0.00 0.02 0.00 0.00 177.57 177.34 1c2r h ALA 59 N 1.11 0.95 -0.68 1.67 0.00 -0.60 -1.01 119.26 120.70 1c2r h ALA 59 Ca 0.15 -0.42 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 1c2r h ALA 59 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1c2r h ALA 59 CO -0.03 0.62 0.21 1.25 0.00 0.00 0.00 179.25 181.31 1c2r h LEU 60 N 0.39 0.98 -0.80 0.00 5.85 -0.72 -2.32 115.31 118.69 1c2r h LEU 60 Ca 0.04 -0.21 -0.12 0.00 0.84 0.00 0.00 57.88 58.43 1c2r h LEU 60 Cb 0.86 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 1c2r h LEU 60 CO 0.07 0.93 -0.46 1.23 -0.34 0.00 0.00 178.44 179.87 1c2r h GLY 61 N 0.99 0.36 1.67 3.75 0.00 -0.91 -2.92 103.07 106.01 1c2r h GLY 61 Ca 0.22 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.21 1c2r h GLY 61 CO -0.01 0.33 0.14 0.00 0.00 0.00 0.00 176.54 177.01 1c2r h ALA 62 N 1.25 2.04 -0.00 3.60 0.00 -0.65 0.29 119.26 125.79 1c2r h ALA 62 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1c2r h ALA 62 Cb 0.91 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.68 1c2r h ALA 62 CO 0.08 -0.08 -0.00 -1.13 0.00 0.00 0.00 179.25 178.11 1c2r n SER 63 N -4.50 0.01 0.00 0.00 3.41 -1.00 -4.90 113.62 106.64 1c2r n SER 63 Ca 0.01 -0.67 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 1c2r n SER 63 Cb 0.20 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1c2r n SER 63 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c2r n GLY 64 N 1.11 0.75 3.70 5.00 0.00 0.09 -5.05 105.19 110.79 1c2r n GLY 64 Ca 0.20 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 1c2r n GLY 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1c2r s PHE 65 N -2.00 3.11 -0.06 1.61 5.36 -1.11 -4.96 117.98 119.92 1c2r s PHE 65 Ca 0.00 1.03 0.05 0.00 -0.96 0.00 0.00 56.93 57.06 1c2r s PHE 65 Cb 0.00 -3.56 -0.01 0.00 -0.34 0.00 0.00 43.02 39.11 1c2r s PHE 65 CO 0.00 -1.92 -0.23 0.00 -1.46 0.00 0.00 175.22 171.62 1c2r s ALA 66 N 1.87 2.27 0.63 11.12 0.00 -1.26 -0.61 121.76 135.78 1c2r s ALA 66 Ca 0.61 -1.02 -0.19 0.00 0.00 0.00 0.00 51.96 51.36 1c2r s ALA 66 Cb -0.30 -0.76 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 1c2r s ALA 66 CO 0.27 0.42 1.30 -1.58 0.00 0.00 0.00 175.76 176.16 1c2r s TRP 67 N -0.18 2.12 0.10 0.00 0.52 -0.54 -4.78 118.94 116.17 1c2r s TRP 67 Ca -0.03 1.47 0.02 0.00 0.02 0.00 0.00 56.10 57.58 1c2r s TRP 67 Cb -0.14 -3.71 -0.04 0.00 -1.15 0.00 0.00 33.47 28.43 1c2r s TRP 67 CO 0.04 -2.91 -0.07 0.95 0.02 0.00 0.00 176.95 174.98 1c2r s THR 68 N -1.38 0.73 0.21 2.01 -4.23 -1.26 0.19 115.64 111.90 1c2r s THR 68 Ca 0.81 -1.91 -0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1c2r s THR 68 Cb -0.38 -1.66 0.14 0.00 1.34 0.00 0.00 72.50 71.95 1c2r s THR 68 CO 0.41 -0.85 1.77 -0.33 -0.54 0.00 0.00 174.62 175.08 1c2r h GLU 69 N 3.01 0.50 -0.42 3.99 5.08 -1.97 0.41 114.58 125.18 1c2r h GLU 69 Ca -0.35 -0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 1c2r h GLU 69 Cb 1.17 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.28 1c2r h GLU 69 CO 0.64 0.33 0.25 0.93 -1.00 0.00 0.00 179.01 180.15 1c2r h GLU 70 N 0.51 0.48 -0.28 2.33 3.07 -1.96 0.71 114.58 119.44 1c2r h GLU 70 Ca 0.30 -0.03 -0.16 0.00 -0.50 0.00 0.00 59.36 58.98 1c2r h GLU 70 Cb 0.31 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1c2r h GLU 70 CO -0.25 0.32 -0.45 -0.44 -1.40 0.00 0.00 179.01 176.79 1c2r h ASP 71 N 0.50 0.79 -0.02 1.42 3.45 -1.83 -1.94 116.42 118.80 1c2r h ASP 71 Ca 0.17 -0.38 -0.00 0.00 0.43 0.00 0.00 57.03 57.25 1c2r h ASP 71 Cb 0.01 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 38.56 1c2r h ASP 71 CO -0.08 1.12 0.01 0.40 -1.57 0.00 0.00 179.24 179.13 1c2r h ILE 72 N 0.59 1.06 -0.79 0.35 2.04 -0.46 0.11 117.51 120.41 1c2r h ILE 72 Ca 0.04 -0.16 0.19 0.00 1.00 0.00 0.00 64.86 65.93 1c2r h ILE 72 Cb 1.01 1.13 -0.05 0.00 -0.74 0.00 0.00 36.82 38.17 1c2r h ILE 72 CO 0.10 0.05 0.54 0.00 0.00 0.00 0.00 178.15 178.83 1c2r h ALA 73 N 0.94 2.40 0.06 1.87 0.00 0.69 -2.36 119.26 122.86 1c2r h ALA 73 Ca 0.01 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.60 1c2r h ALA 73 Cb 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1c2r h ALA 73 CO -0.00 -0.63 -1.75 1.15 0.00 0.00 0.00 179.25 178.02 1c2r h THR 74 N 0.23 0.85 -0.48 0.00 2.02 -0.58 -3.35 112.91 111.59 1c2r h THR 74 Ca 0.39 -2.63 -0.04 0.00 0.77 0.00 0.00 66.41 64.90 1c2r h THR 74 Cb 1.19 2.51 -0.02 0.00 -1.74 0.00 0.00 68.15 70.09 1c2r h THR 74 CO -0.09 0.68 0.12 0.22 0.37 0.00 0.00 175.52 176.83 1c2r h TYR 75 N 0.03 0.73 0.00 3.16 3.20 -0.40 -3.09 116.97 120.60 1c2r h TYR 75 Ca -0.31 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.46 1c2r h TYR 75 Cb 2.01 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 40.06 1c2r h TYR 75 CO 0.03 0.62 -0.18 -0.39 -1.64 0.00 0.00 178.16 176.60 1c2r h VAL 76 N 0.70 1.09 -0.40 1.81 -1.51 -1.57 0.29 116.25 116.66 1c2r h VAL 76 Ca 0.16 -0.64 -0.08 0.00 -1.23 0.00 0.00 66.70 64.91 1c2r h VAL 76 Cb 0.25 1.35 -0.02 0.00 -2.13 0.00 0.00 31.29 30.74 1c2r h VAL 76 CO -0.00 0.18 -0.06 0.11 -1.23 0.00 0.00 177.57 176.56 1c2r h LYS 77 N 0.00 0.68 -0.64 5.19 1.57 -1.64 0.47 116.57 122.20 1c2r h LYS 77 Ca -0.00 -0.20 0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1c2r h LYS 77 Cb 0.33 -0.07 -0.19 0.00 0.08 0.00 0.00 32.23 32.38 1c2r h LYS 77 CO 0.02 0.75 -0.24 0.34 -0.57 0.00 0.00 179.45 179.75 1c2r s ASP 78 N -6.70 -1.02 0.10 0.86 -1.08 -0.65 -4.16 116.67 104.02 1c2r s ASP 78 Ca -0.09 -0.13 -0.33 0.00 -0.52 0.00 0.00 52.55 51.48 1c2r s ASP 78 Cb 0.14 1.50 -0.14 0.00 -1.46 0.00 0.00 42.92 42.97 1c2r s ASP 78 CO 0.80 -0.16 1.58 -0.65 0.52 0.00 0.00 175.17 177.27 1c2r h PRO 79 N 7.09 -0.78 -0.74 4.34 0.11 -0.70 -2.55 132.00 138.76 1c2r h PRO 79 Ca -0.03 0.05 0.13 0.00 0.11 0.00 0.00 66.00 66.27 1c2r h PRO 79 Cb 1.19 0.18 -0.09 0.00 0.11 0.00 0.00 31.00 32.39 1c2r h PRO 79 CO 0.03 -0.52 0.30 0.78 -0.21 0.00 0.00 178.00 178.38 1c2r h GLY 80 N -0.81 1.12 1.00 -0.55 0.00 -1.89 -1.83 103.07 100.10 1c2r h GLY 80 Ca -0.02 -0.15 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1c2r h GLY 80 CO -0.13 -0.08 0.11 0.00 0.00 0.00 0.00 176.54 176.44 1c2r h ALA 81 N 1.53 0.71 -0.31 3.60 0.00 -1.91 -1.34 119.26 121.54 1c2r h ALA 81 Ca 0.40 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.14 1c2r h ALA 81 Cb 0.58 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1c2r h ALA 81 CO -0.38 0.43 0.00 0.35 0.00 0.00 0.00 179.25 179.65 1c2r h PHE 82 N 0.77 -0.01 -0.17 0.00 3.04 -0.92 -1.22 116.94 118.43 1c2r h PHE 82 Ca 0.17 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.14 1c2r h PHE 82 Cb 0.37 0.05 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 1c2r h PHE 82 CO 0.03 -0.05 0.10 -0.07 -2.02 0.00 0.00 178.31 176.30 1c2r h LEU 83 N 0.10 0.20 -0.80 0.59 3.38 -1.14 -0.19 115.31 117.45 1c2r h LEU 83 Ca 0.15 -0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.26 1c2r h LEU 83 Cb 0.20 -0.05 -0.13 0.00 0.09 0.00 0.00 40.66 40.77 1c2r h LEU 83 CO -0.25 0.20 0.15 0.11 0.09 0.00 0.00 178.44 178.74 1c2r h LYS 84 N 0.19 0.19 0.54 1.13 1.57 -0.51 0.67 116.57 120.34 1c2r h LYS 84 Ca 0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1c2r h LYS 84 Cb 0.04 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.31 1c2r h LYS 84 CO -0.01 0.12 -0.26 1.49 -0.57 0.00 0.00 179.45 180.22 1c2r h GLU 85 N 0.19 -0.70 -0.47 3.15 4.81 -1.07 0.33 114.58 120.82 1c2r h GLU 85 Ca 0.47 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.84 1c2r h GLU 85 Cb 0.88 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.33 1c2r h GLU 85 CO -0.62 -0.47 -0.09 0.87 -0.73 0.00 0.00 179.01 177.97 1c2r h LYS 86 N -1.11 0.02 0.00 1.92 1.79 -0.35 -0.97 116.57 117.88 1c2r h LYS 86 Ca -0.07 -0.00 -0.10 0.00 -2.18 0.00 0.00 60.65 58.30 1c2r h LYS 86 Cb 0.56 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 31.19 1c2r h LYS 86 CO 0.12 0.02 -0.46 -0.07 -1.08 0.00 0.00 179.45 177.98 1c2r h LEU 87 N 0.02 0.00 -1.07 2.94 3.38 0.25 -3.46 115.31 117.37 1c2r h LEU 87 Ca 0.23 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.98 1c2r h LEU 87 Cb 0.35 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.18 1c2r h LEU 87 CO -0.46 0.46 -0.39 -0.67 0.09 0.00 0.00 178.44 177.47 1c2r n ASP 88 N -3.46 -4.04 -3.65 -0.43 4.64 0.11 -5.00 116.55 104.71 1c2r n ASP 88 Ca 0.00 -0.31 -0.18 0.00 -1.38 0.00 0.00 54.79 52.92 1c2r n ASP 88 Cb 0.60 -3.06 -0.16 0.00 -1.04 0.00 0.00 41.12 37.46 1c2r n ASP 88 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1c2r s ASP 89 N -3.28 0.91 0.21 1.67 3.68 -0.62 -5.02 116.67 114.21 1c2r s ASP 89 Ca 0.27 0.23 0.25 0.00 2.13 0.00 0.00 52.55 55.43 1c2r s ASP 89 Cb -0.12 0.21 0.90 0.00 -1.45 0.00 0.00 42.92 42.45 1c2r s ASP 89 CO 0.41 -0.26 1.75 0.29 0.13 0.00 0.00 175.17 177.50 1c2r n LYS 90 N 5.32 0.21 -0.48 4.34 5.02 -1.26 -2.67 118.16 128.63 1c2r n LYS 90 Ca -0.05 0.28 0.10 0.00 -2.02 0.00 0.00 58.31 56.63 1c2r n LYS 90 Cb 0.50 -1.80 0.33 0.00 -0.02 0.00 0.00 35.03 34.04 1c2r n LYS 90 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1c2r n LYS 91 N -2.17 3.22 -2.08 1.97 5.02 -1.26 -4.96 118.16 117.91 1c2r n LYS 91 Ca 0.04 -2.75 -0.42 0.00 -2.02 0.00 0.00 58.31 53.16 1c2r n LYS 91 Cb 0.34 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.61 1c2r n LYS 91 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1c2r s ALA 92 N -1.42 3.67 -0.01 7.82 0.00 -1.09 -5.02 121.76 125.70 1c2r s ALA 92 Ca 0.49 1.22 0.06 0.00 0.00 0.00 0.00 51.96 53.73 1c2r s ALA 92 Cb 0.29 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.82 1c2r s ALA 92 CO 0.28 -0.68 -0.19 -1.59 0.00 0.00 0.00 175.76 173.58 1c2r s LYS 93 N 1.13 1.55 0.10 0.00 -2.85 -1.26 -4.72 119.74 113.69 1c2r s LYS 93 Ca 0.67 -0.71 0.03 0.00 -1.00 0.00 0.00 55.97 54.96 1c2r s LYS 93 Cb -0.40 -1.51 -0.04 0.00 -2.06 0.00 0.00 37.83 33.82 1c2r s LYS 93 CO 0.31 0.41 0.13 -0.08 0.10 0.00 0.00 175.35 176.22 1c2r s THR 94 N -0.48 4.77 -1.93 3.79 -1.32 -1.26 -4.38 115.64 114.82 1c2r s THR 94 Ca 0.07 -0.74 0.23 0.00 -1.21 0.00 0.00 61.69 60.05 1c2r s THR 94 Cb -0.08 -3.34 0.05 0.00 -1.51 0.00 0.00 72.50 67.62 1c2r s THR 94 CO -0.01 0.07 1.20 0.61 -2.21 0.00 0.00 174.62 174.29 1c2r n GLY 95 N 0.19 -0.16 3.40 6.08 0.00 -1.26 -4.81 105.19 108.63 1c2r n GLY 95 Ca -0.08 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 44.92 1c2r n GLY 95 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1c2r s MET 96 N -2.50 3.07 -1.26 1.61 -2.45 -1.26 -4.98 119.30 111.53 1c2r s MET 96 Ca 0.20 -1.15 -0.12 0.00 -1.25 0.00 0.00 55.69 53.36 1c2r s MET 96 Cb 0.18 -4.23 0.16 0.00 1.25 0.00 0.00 34.83 32.19 1c2r s MET 96 CO 0.57 -1.53 1.71 0.00 1.05 0.00 0.00 175.02 176.82 1c2r n ALA 97 N 6.53 4.71 -3.64 4.11 0.00 -1.26 -4.81 120.51 126.14 1c2r n ALA 97 Ca -0.08 -4.25 -0.08 0.00 0.00 0.00 0.00 53.44 49.03 1c2r n ALA 97 Cb 0.43 -3.06 -0.07 0.00 0.00 0.00 0.00 19.45 16.76 1c2r n ALA 97 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1c2r s PHE 98 N 1.12 -0.46 0.03 0.00 2.19 -1.26 -5.16 117.98 114.43 1c2r s PHE 98 Ca 0.42 1.10 0.06 0.00 0.33 0.00 0.00 56.93 58.84 1c2r s PHE 98 Cb 0.05 0.37 -0.02 0.00 -1.31 0.00 0.00 43.02 42.10 1c2r s PHE 98 CO 0.00 -0.22 -0.19 0.15 1.83 0.00 0.00 175.22 176.79 1c2r s LYS 99 N 0.35 1.31 -0.42 10.12 1.02 -1.26 -4.62 119.74 126.25 1c2r s LYS 99 Ca 0.02 -0.83 0.01 0.00 0.02 0.00 0.00 55.97 55.20 1c2r s LYS 99 Cb -0.05 -1.37 0.11 0.00 -0.52 0.00 0.00 37.83 36.01 1c2r s LYS 99 CO -0.08 0.35 0.17 -1.17 -0.92 0.00 0.00 175.35 173.71 1c2r s LEU 100 N -0.98 4.88 0.16 3.17 2.96 0.16 -4.96 118.68 124.08 1c2r s LEU 100 Ca 0.06 -2.34 -0.30 0.00 -0.22 0.00 0.00 54.13 51.33 1c2r s LEU 100 Cb -0.08 -1.71 -0.05 0.00 0.50 0.00 0.00 46.19 44.84 1c2r s LEU 100 CO 0.01 -0.40 1.54 0.00 -1.32 0.00 0.00 176.35 176.18 1c2r h ALA 101 N 7.49 -0.53 -2.91 5.97 0.00 -1.84 -3.33 119.26 124.11 1c2r h ALA 101 Ca -0.07 0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.77 1c2r h ALA 101 Cb 1.00 1.30 -0.20 0.00 0.00 0.00 0.00 17.79 19.89 1c2r h ALA 101 CO 0.62 -0.96 -0.70 0.21 0.00 0.00 0.00 179.25 178.42 1c2r s LYS 102 N -5.56 0.39 0.00 0.00 2.20 -1.26 -4.83 119.74 110.68 1c2r s LYS 102 Ca -0.13 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1c2r s LYS 102 Cb 0.11 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1c2r s LYS 102 CO 0.63 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.99 1c2r n GLY 103 N 1.36 0.31 0.36 5.54 0.00 -1.26 -4.95 105.19 106.56 1c2r n GLY 103 Ca -0.22 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.06 1c2r n GLY 103 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1c2r h GLY 104 N 0.00 1.87 1.85 -0.02 0.00 -1.83 -0.75 103.07 104.18 1c2r h GLY 104 Ca 0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.05 1c2r h GLY 104 CO 0.00 -0.47 -0.27 0.83 0.00 0.00 0.00 176.54 176.63 1c2r h GLU 105 N 0.26 0.18 0.05 4.80 5.08 -1.92 -2.37 114.58 120.65 1c2r h GLU 105 Ca 0.75 -0.06 -0.23 0.00 -1.00 0.00 0.00 59.36 58.82 1c2r h GLU 105 Cb 1.87 -0.02 0.02 0.00 0.50 0.00 0.00 28.75 31.12 1c2r h GLU 105 CO -0.55 0.45 -0.93 -0.44 -1.00 0.00 0.00 179.01 176.54 1c2r h ASP 106 N 0.16 0.73 -0.82 1.42 5.19 -1.39 -2.34 116.42 119.37 1c2r h ASP 106 Ca 0.03 -0.79 -0.03 0.00 -0.62 0.00 0.00 57.03 55.62 1c2r h ASP 106 Cb 0.58 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.82 1c2r h ASP 106 CO 0.04 1.44 0.41 1.62 -3.12 0.00 0.00 179.24 179.63 1c2r h VAL 107 N 0.11 1.25 -0.46 -1.35 3.04 -1.49 -1.08 116.25 116.27 1c2r h VAL 107 Ca -0.13 -0.68 0.05 0.00 -1.01 0.00 0.00 66.70 64.93 1c2r h VAL 107 Cb 1.62 0.19 -0.05 0.00 -2.01 0.00 0.00 31.29 31.05 1c2r h VAL 107 CO 0.18 0.29 0.20 0.00 -1.01 0.00 0.00 177.57 177.23 1c2r h ALA 108 N 1.22 0.57 -0.34 3.17 0.00 -1.42 0.10 119.26 122.56 1c2r h ALA 108 Ca 0.28 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.27 1c2r h ALA 108 Cb 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 1c2r h ALA 108 CO -0.04 -0.17 0.12 0.00 0.00 0.00 0.00 179.25 179.16 1c2r h ALA 109 N 1.27 0.39 -0.12 0.00 0.00 -0.79 -1.48 119.26 118.54 1c2r h ALA 109 Ca 0.21 0.04 0.03 0.00 0.00 0.00 0.00 54.91 55.18 1c2r h ALA 109 Cb 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1c2r h ALA 109 CO -0.18 -0.27 -0.05 -0.92 0.00 0.00 0.00 179.25 177.83 1c2r h TYR 110 N 0.27 -0.11 -0.95 0.00 3.20 -0.15 0.24 116.97 119.48 1c2r h TYR 110 Ca 0.15 0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.13 1c2r h TYR 110 Cb 0.11 0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.38 1c2r h TYR 110 CO -0.13 -0.08 0.61 -0.07 -1.64 0.00 0.00 178.16 176.84 1c2r h LEU 111 N -0.03 0.88 -0.47 2.82 4.07 -0.81 0.44 115.31 122.20 1c2r h LEU 111 Ca 0.06 0.03 -0.16 0.00 0.08 0.00 0.00 57.88 57.89 1c2r h LEU 111 Cb 0.13 -0.15 -0.01 0.00 1.08 0.00 0.00 40.66 41.71 1c2r h LEU 111 CO -0.14 0.51 -0.49 0.00 -1.08 0.00 0.00 178.44 177.24 1c2r h ALA 112 N 1.53 0.65 -0.10 1.53 0.00 -0.28 -3.25 119.26 119.34 1c2r h ALA 112 Ca 0.44 -0.49 -0.19 0.00 0.00 0.00 0.00 54.91 54.67 1c2r h ALA 112 Cb 0.41 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1c2r h ALA 112 CO -0.20 0.68 -0.74 0.66 0.00 0.00 0.00 179.25 179.65 1c2r h SER 113 N 0.56 0.61 -1.01 0.00 4.64 0.19 -3.34 113.55 115.19 1c2r h SER 113 Ca 0.03 -0.40 0.26 0.00 -0.47 0.00 0.00 61.79 61.21 1c2r h SER 113 Cb 1.05 -0.18 -0.12 0.00 -0.31 0.00 0.00 62.40 62.83 1c2r h SER 113 CO 0.10 1.15 0.60 -0.37 -0.87 0.00 0.00 176.83 177.45 1c2r h VAL 114 N 0.35 0.51 0.00 0.95 -1.51 -0.28 -2.25 116.25 114.02 1c2r h VAL 114 Ca -0.04 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 65.25 1c2r h VAL 114 Cb 1.33 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 30.41 1c2r h VAL 114 CO 0.13 0.10 0.00 1.33 -1.23 0.00 0.00 177.57 177.90 1c2r n VAL 115 N -4.88 0.63 1.61 7.19 0.24 -1.25 -5.05 118.33 116.82 1c2r n VAL 115 Ca 0.27 -0.04 0.13 0.00 -2.04 0.00 0.00 64.34 62.66 1c2r n VAL 115 Cb 0.79 -0.80 0.76 0.00 -1.47 0.00 0.00 33.84 33.13 1c2r n VAL 115 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98