#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c1l n GLY 3 N 0.00 1.21 2.96 -0.02 0.00 -1.26 -5.02 105.19 103.06 1c1l n GLY 3 Ca 0.00 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.70 1c1l n GLY 3 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c1l s LEU 4 N 0.00 1.46 -0.36 0.99 2.96 -1.26 -5.11 118.68 117.37 1c1l s LEU 4 Ca 0.00 -0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 53.44 1c1l s LEU 4 Cb 0.00 -0.72 0.01 0.00 0.50 0.00 0.00 46.19 45.98 1c1l s LEU 4 CO 0.00 -0.02 0.74 -1.58 -1.32 0.00 0.00 176.35 174.17 1c1l s GLN 5 N 0.93 3.74 -0.52 1.98 2.00 -1.26 -5.01 119.66 121.51 1c1l s GLN 5 Ca -0.10 0.24 -0.13 0.00 -2.00 0.00 0.00 55.36 53.37 1c1l s GLN 5 Cb -0.15 -3.81 0.13 0.00 0.80 0.00 0.00 33.01 29.99 1c1l s GLN 5 CO 0.01 -0.80 0.45 0.08 -0.50 0.00 0.00 175.29 174.52 1c1l s VAL 6 N 2.96 4.79 0.35 1.34 1.01 -1.26 -4.96 120.40 124.64 1c1l s VAL 6 Ca 0.29 -1.68 0.08 0.00 0.00 0.00 0.00 61.98 60.67 1c1l s VAL 6 Cb -0.14 -4.10 0.31 0.00 0.00 0.00 0.00 36.38 32.46 1c1l s VAL 6 CO 0.16 -0.84 1.90 0.50 0.00 0.00 0.00 175.10 176.82 1c1l h LYS 7 N 8.64 0.71 0.00 2.72 3.64 -2.05 -2.52 116.57 127.71 1c1l h LYS 7 Ca -0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1c1l h LYS 7 Cb 1.08 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1c1l h LYS 7 CO 0.95 0.47 0.00 -0.91 -2.27 0.00 0.00 179.45 177.69 1c1l h ASN 8 N 0.73 0.00 -2.88 4.20 4.21 -2.05 -3.42 115.58 116.37 1c1l h ASN 8 Ca 0.41 0.00 -0.70 0.00 1.21 0.00 0.00 56.30 57.22 1c1l h ASN 8 Cb 0.56 0.00 -0.19 0.00 -1.12 0.00 0.00 38.32 37.57 1c1l h ASN 8 CO -0.17 0.00 0.21 -0.36 -1.29 0.00 0.00 177.43 175.82 1c1l s PHE 9 N -3.26 3.01 -0.47 1.19 0.08 -0.95 -4.99 117.98 112.59 1c1l s PHE 9 Ca 0.07 -1.00 -0.13 0.00 0.12 0.00 0.00 56.93 55.99 1c1l s PHE 9 Cb 0.10 -4.06 0.09 0.00 -0.57 0.00 0.00 43.02 38.58 1c1l s PHE 9 CO 0.55 -1.34 0.36 -0.51 -0.10 0.00 0.00 175.22 174.19 1c1l s ASP 10 N 3.57 5.93 -1.07 1.36 1.01 -1.26 -4.98 116.67 121.22 1c1l s ASP 10 Ca 0.14 -1.56 -0.21 0.00 0.71 0.00 0.00 52.55 51.64 1c1l s ASP 10 Cb -0.21 -2.10 0.08 0.00 1.01 0.00 0.00 42.92 41.69 1c1l s ASP 10 CO 0.05 -0.66 1.45 0.12 0.21 0.00 0.00 175.17 176.33 1c1l s PHE 11 N 1.52 2.75 0.49 4.23 5.36 -1.26 -4.93 117.98 126.14 1c1l s PHE 11 Ca 0.04 -1.18 0.07 0.00 -0.96 0.00 0.00 56.93 54.90 1c1l s PHE 11 Cb -0.25 -4.61 0.01 0.00 -0.34 0.00 0.00 43.02 37.83 1c1l s PHE 11 CO 0.03 -1.80 0.42 0.95 -1.46 0.00 0.00 175.22 173.37 1c1l s THR 12 N 4.20 2.15 0.17 0.12 -4.23 -1.26 -2.16 115.64 114.63 1c1l s THR 12 Ca 0.45 -1.39 -0.33 0.00 -1.18 0.00 0.00 61.69 59.23 1c1l s THR 12 Cb -0.00 -2.54 -0.14 0.00 1.34 0.00 0.00 72.50 71.16 1c1l s THR 12 CO -0.06 0.00 1.49 0.52 -0.54 0.00 0.00 174.62 176.03 1c1l n VAL 13 N -1.70 0.28 0.00 2.29 0.31 -1.14 -2.06 118.33 116.31 1c1l n VAL 13 Ca 0.02 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 1c1l n VAL 13 Cb 0.63 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 1c1l n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c1l n GLY 14 N 2.92 1.18 3.90 2.92 0.00 -1.18 -5.04 105.19 109.89 1c1l n GLY 14 Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.89 1c1l n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c1l s LYS 15 N -0.77 3.64 -0.23 1.61 -0.14 -0.88 -5.01 119.74 117.96 1c1l s LYS 15 Ca 0.00 0.26 -0.00 0.00 -1.36 0.00 0.00 55.97 54.87 1c1l s LYS 15 Cb 0.00 -2.42 0.03 0.00 -1.68 0.00 0.00 37.83 33.76 1c1l s LYS 15 CO 0.00 -0.09 -0.10 -0.06 -0.76 0.00 0.00 175.35 174.34 1c1l s PHE 16 N -2.52 3.04 -0.29 3.18 0.40 0.61 -4.42 117.98 117.97 1c1l s PHE 16 Ca 0.48 -1.69 -0.12 0.00 -0.60 0.00 0.00 56.93 55.00 1c1l s PHE 16 Cb -0.10 -2.01 -0.04 0.00 0.51 0.00 0.00 43.02 41.38 1c1l s PHE 16 CO 0.38 -0.77 0.21 -1.17 0.70 0.00 0.00 175.22 174.57 1c1l s LEU 17 N 1.28 4.11 -0.15 -0.37 2.96 -0.11 -1.33 118.68 125.07 1c1l s LEU 17 Ca -0.00 -0.07 -0.04 0.00 -0.22 0.00 0.00 54.13 53.79 1c1l s LEU 17 Cb -0.16 -2.14 -0.03 0.00 0.50 0.00 0.00 46.19 44.36 1c1l s LEU 17 CO -0.06 -0.09 0.00 -0.89 -1.32 0.00 0.00 176.35 173.99 1c1l s THR 18 N 1.77 4.27 -0.07 3.68 2.01 0.26 -0.38 115.64 127.17 1c1l s THR 18 Ca 0.07 -0.23 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1c1l s THR 18 Cb -0.16 -2.87 -0.03 0.00 0.01 0.00 0.00 72.50 69.45 1c1l s THR 18 CO 0.11 0.51 -0.10 0.68 -0.69 0.00 0.00 174.62 175.13 1c1l s VAL 19 N 0.10 3.43 0.10 3.82 -7.23 0.03 -1.06 120.40 119.57 1c1l s VAL 19 Ca 0.02 -0.58 0.03 0.00 -1.81 0.00 0.00 61.98 59.64 1c1l s VAL 19 Cb -0.13 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 1c1l s VAL 19 CO 0.02 0.59 -0.09 -0.83 -0.31 0.00 0.00 175.10 174.47 1c1l s GLY 20 N -0.67 0.83 0.00 2.32 0.00 -0.40 -1.04 107.32 108.36 1c1l s GLY 20 Ca 0.10 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1c1l s GLY 20 CO 0.01 -1.29 0.00 0.61 0.00 0.00 0.00 173.10 172.44 1c1l n GLY 21 N 0.47 -0.81 3.12 0.20 0.00 -0.73 -1.24 105.19 106.19 1c1l n GLY 21 Ca -0.15 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 44.79 1c1l n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c1l s PHE 22 N -3.00 1.84 0.26 1.61 0.08 -0.32 -0.78 117.98 117.66 1c1l s PHE 22 Ca 0.00 -0.64 -0.29 0.00 0.12 0.00 0.00 56.93 56.12 1c1l s PHE 22 Cb 0.00 -1.26 -0.09 0.00 -0.57 0.00 0.00 43.02 41.10 1c1l s PHE 22 CO 0.00 -0.26 0.94 0.42 -0.10 0.00 0.00 175.22 176.21 1c1l s ILE 23 N 0.31 4.11 0.85 0.64 1.01 0.08 -0.41 121.20 127.79 1c1l s ILE 23 Ca -0.11 2.02 -0.11 0.00 0.00 0.00 0.00 60.65 62.45 1c1l s ILE 23 Cb -0.15 -4.25 0.11 0.00 0.01 0.00 0.00 42.46 38.18 1c1l s ILE 23 CO 0.04 0.42 1.14 0.20 0.00 0.00 0.00 174.94 176.74 1c1l s ASN 24 N -1.28 3.54 0.63 3.58 0.01 -0.25 -2.05 114.94 119.14 1c1l s ASN 24 Ca 0.43 2.09 -0.14 0.00 -0.71 0.00 0.00 52.86 54.53 1c1l s ASN 24 Cb -0.24 -2.56 -0.02 0.00 0.41 0.00 0.00 41.25 38.84 1c1l s ASN 24 CO 0.30 -2.69 1.06 0.20 -1.51 0.00 0.00 177.10 174.46 1c1l s ASN 25 N -2.83 5.62 -1.46 -1.22 0.02 -1.26 -1.63 114.94 112.18 1c1l s ASN 25 Ca 0.66 1.74 -0.00 0.00 -1.02 0.00 0.00 52.86 54.24 1c1l s ASN 25 Cb -0.22 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.54 1c1l s ASN 25 CO 0.56 -1.28 0.27 -1.20 0.02 0.00 0.00 177.10 175.47 1c1l n SER 26 N -2.46 0.13 -4.80 -1.22 7.64 -1.26 -4.90 113.62 106.75 1c1l n SER 26 Ca 0.08 -1.10 -0.34 0.00 1.01 0.00 0.00 58.87 58.52 1c1l n SER 26 Cb 0.53 -2.54 -0.04 0.00 -1.01 0.00 0.00 64.21 61.16 1c1l n SER 26 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1c1l s PRO 27 N -6.85 3.82 -0.16 1.43 0.04 -1.26 -4.99 135.00 127.04 1c1l s PRO 27 Ca 0.01 1.31 -0.12 0.00 0.04 0.00 0.00 61.00 62.23 1c1l s PRO 27 Cb -0.00 -2.10 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 1c1l s PRO 27 CO 0.93 -0.41 -0.11 0.94 0.04 0.00 0.00 177.00 178.39 1c1l n GLN 28 N -1.03 0.48 -3.56 4.56 7.27 -1.26 -3.97 117.38 119.87 1c1l n GLN 28 Ca 0.09 0.52 -0.07 0.00 0.07 0.00 0.00 57.00 57.62 1c1l n GLN 28 Cb 0.53 -1.69 -0.02 0.00 2.41 0.00 0.00 30.24 31.47 1c1l n GLN 28 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1c1l s ARG 29 N -2.29 0.77 0.01 3.69 1.70 -1.26 -0.63 118.95 120.93 1c1l s ARG 29 Ca -0.18 -0.31 -0.13 0.00 -0.47 0.00 0.00 55.73 54.63 1c1l s ARG 29 Cb 0.03 0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.76 1c1l s ARG 29 CO 0.30 -0.34 0.27 -0.59 -1.08 0.00 0.00 175.30 173.87 1c1l s PHE 30 N -3.00 -0.10 0.12 5.89 -0.71 -0.77 -0.40 117.98 119.00 1c1l s PHE 30 Ca 0.07 0.07 0.07 0.00 -1.04 0.00 0.00 56.93 56.10 1c1l s PHE 30 Cb -0.01 0.06 -0.04 0.00 -1.21 0.00 0.00 43.02 41.83 1c1l s PHE 30 CO -0.07 -0.41 -0.16 -1.54 -1.34 0.00 0.00 175.22 171.70 1c1l s SER 31 N -1.62 2.16 -0.19 1.98 1.04 0.19 -1.06 113.70 116.21 1c1l s SER 31 Ca -0.10 -0.76 -0.06 0.00 0.48 0.00 0.00 55.95 55.51 1c1l s SER 31 Cb -0.04 -0.09 -0.03 0.00 0.10 0.00 0.00 66.02 65.95 1c1l s SER 31 CO 0.01 -0.07 0.03 -0.69 0.98 0.00 0.00 173.24 173.49 1c1l s VAL 32 N -1.77 4.36 -0.13 5.02 1.01 -0.48 -0.77 120.40 127.65 1c1l s VAL 32 Ca 0.07 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1c1l s VAL 32 Cb -0.07 -2.96 0.02 0.00 0.00 0.00 0.00 36.38 33.37 1c1l s VAL 32 CO 0.04 0.45 -0.15 0.20 0.00 0.00 0.00 175.10 175.64 1c1l s ASN 33 N 0.63 2.55 -0.00 3.32 0.01 0.46 -0.68 114.94 121.23 1c1l s ASN 33 Ca 0.01 -0.45 0.06 0.00 -0.71 0.00 0.00 52.86 51.77 1c1l s ASN 33 Cb -0.14 -1.12 -0.02 0.00 0.41 0.00 0.00 41.25 40.38 1c1l s ASN 33 CO 0.02 -0.02 -0.18 0.68 -1.51 0.00 0.00 177.10 176.08 1c1l s VAL 34 N 1.24 1.46 -0.67 1.60 -7.23 -0.44 -1.11 120.40 115.25 1c1l s VAL 34 Ca -0.01 -0.87 0.00 0.00 -1.81 0.00 0.00 61.98 59.29 1c1l s VAL 34 Cb -0.14 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.57 1c1l s VAL 34 CO -0.06 0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.69 1c1l n GLY 35 N 2.44 -0.80 0.08 2.32 0.00 -0.70 -0.85 105.19 107.69 1c1l n GLY 35 Ca -0.15 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.59 1c1l n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1c1l n GLU 36 N 0.00 0.66 -3.82 1.61 1.02 0.22 -1.12 120.64 119.21 1c1l n GLU 36 Ca 0.00 0.07 -0.02 0.00 -0.02 0.00 0.00 57.16 57.19 1c1l n GLU 36 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 29.79 1c1l n GLU 36 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1c1l s SER 37 N -5.52 -0.06 0.53 1.62 1.04 -1.04 -4.56 113.70 105.70 1c1l s SER 37 Ca -0.07 -0.48 0.20 0.00 0.48 0.00 0.00 55.95 56.07 1c1l s SER 37 Cb 0.08 0.42 1.32 0.00 0.10 0.00 0.00 66.02 67.95 1c1l s SER 37 CO 0.84 -0.82 2.10 0.24 0.98 0.00 0.00 173.24 176.57 1c1l h MET 38 N 2.00 0.00 0.00 4.02 2.86 -1.98 -1.96 114.93 119.87 1c1l h MET 38 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1c1l h MET 38 Cb 1.22 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.88 1c1l h MET 38 CO 0.31 0.00 -0.63 -0.91 1.06 0.00 0.00 176.91 176.74 1c1l h ASN 39 N 0.00 0.00 -3.10 1.22 -0.26 -1.94 -3.43 115.58 108.06 1c1l h ASN 39 Ca 0.09 -0.20 -0.58 0.00 -0.56 0.00 0.00 56.30 55.05 1c1l h ASN 39 Cb 0.37 0.00 -0.40 0.00 -1.06 0.00 0.00 38.32 37.23 1c1l h ASN 39 CO -0.00 0.10 -0.76 -0.55 -1.06 0.00 0.00 177.43 175.16 1c1l s SER 40 N -4.29 3.82 -0.13 5.81 0.15 -0.74 -0.38 113.70 117.94 1c1l s SER 40 Ca 0.06 -1.77 0.02 0.00 0.70 0.00 0.00 55.95 54.95 1c1l s SER 40 Cb 0.13 -0.77 0.00 0.00 -1.71 0.00 0.00 66.02 63.67 1c1l s SER 40 CO 0.72 -0.39 -0.19 -0.76 1.20 0.00 0.00 173.24 173.82 1c1l s LEU 41 N 1.46 2.31 0.19 3.45 1.43 0.11 -0.61 118.68 127.02 1c1l s LEU 41 Ca 0.11 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 52.80 1c1l s LEU 41 Cb -0.19 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.52 1c1l s LEU 41 CO -0.21 0.11 1.39 0.28 0.23 0.00 0.00 176.35 178.15 1c1l h SER 42 N 7.09 0.00 -3.28 2.29 0.02 -1.27 -2.53 113.55 115.88 1c1l h SER 42 Ca -0.28 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.45 1c1l h SER 42 Cb 1.21 0.00 -0.31 0.00 0.14 0.00 0.00 62.40 63.44 1c1l h SER 42 CO 0.54 0.81 -0.52 -0.22 -1.14 0.00 0.00 176.83 176.30 1c1l s LEU 43 N -6.83 0.33 -0.22 5.07 2.96 -0.81 -4.59 118.68 114.60 1c1l s LEU 43 Ca 0.01 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1c1l s LEU 43 Cb 0.10 0.63 0.03 0.00 0.50 0.00 0.00 46.19 47.45 1c1l s LEU 43 CO 0.79 -0.18 -0.14 -2.28 -1.32 0.00 0.00 176.35 173.22 1c1l s HIS 44 N 1.48 3.00 -0.35 5.38 5.65 0.28 -1.32 115.29 129.41 1c1l s HIS 44 Ca -0.07 -1.83 -0.01 0.00 0.25 0.00 0.00 55.06 53.41 1c1l s HIS 44 Cb -0.11 -1.96 0.09 0.00 -1.18 0.00 0.00 32.58 29.42 1c1l s HIS 44 CO -0.08 -0.81 0.09 -1.17 -0.65 0.00 0.00 174.74 172.12 1c1l s LEU 45 N 1.24 4.62 -0.27 8.88 2.96 0.14 -1.91 118.68 134.33 1c1l s LEU 45 Ca -0.00 -1.79 -0.08 0.00 -0.22 0.00 0.00 54.13 52.03 1c1l s LEU 45 Cb -0.16 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.78 1c1l s LEU 45 CO -0.09 -0.40 0.09 -0.62 -1.32 0.00 0.00 176.35 174.02 1c1l s ASP 46 N 1.39 5.24 -0.42 3.68 2.15 0.48 -1.38 116.67 127.81 1c1l s ASP 46 Ca 0.04 -0.35 -0.17 0.00 0.43 0.00 0.00 52.55 52.50 1c1l s ASP 46 Cb -0.21 -1.94 0.02 0.00 -0.30 0.00 0.00 42.92 40.50 1c1l s ASP 46 CO -0.04 -0.09 0.45 -1.00 -0.17 0.00 0.00 175.17 174.31 1c1l s HIS 47 N 1.60 3.16 -0.36 -5.34 3.76 -0.22 -0.85 115.29 117.04 1c1l s HIS 47 Ca 0.05 -0.35 -0.12 0.00 -0.15 0.00 0.00 55.06 54.50 1c1l s HIS 47 Cb -0.16 -2.92 0.01 0.00 1.11 0.00 0.00 32.58 30.62 1c1l s HIS 47 CO 0.04 -0.71 0.21 1.03 -0.85 0.00 0.00 174.74 174.47 1c1l s ARG 48 N 2.18 3.09 -0.05 1.40 0.52 0.43 -1.85 118.95 124.66 1c1l s ARG 48 Ca 0.13 -0.91 -0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1c1l s ARG 48 Cb -0.17 -3.74 -0.00 0.00 0.52 0.00 0.00 34.95 31.56 1c1l s ARG 48 CO 0.14 -0.59 -0.02 0.74 0.02 0.00 0.00 175.30 175.58 1c1l h PHE 49 N 8.45 0.00 -2.67 -0.53 -1.00 -1.14 0.75 116.94 120.80 1c1l h PHE 49 Ca -0.28 0.00 -0.59 0.00 2.81 0.00 0.00 57.97 59.91 1c1l h PHE 49 Cb 1.13 0.00 -0.39 0.00 3.61 0.00 0.00 35.95 40.29 1c1l h PHE 49 CO 0.60 0.00 -0.83 1.21 -1.61 0.00 0.00 178.31 177.68 1c1l s ASN 50 N -4.29 3.05 -0.45 2.17 2.47 -0.94 -1.27 114.94 115.67 1c1l s ASN 50 Ca -0.02 -2.37 0.05 0.00 0.42 0.00 0.00 52.86 50.95 1c1l s ASN 50 Cb 0.00 -0.57 0.19 0.00 -1.45 0.00 0.00 41.25 39.43 1c1l s ASN 50 CO 0.03 -0.29 0.42 0.00 -3.72 0.00 0.00 177.10 173.54 1c1l n TYR 51 N 3.82 -0.07 0.00 0.43 9.36 0.17 -4.49 117.16 126.38 1c1l n TYR 51 Ca 0.12 -3.53 0.00 0.00 3.32 0.00 0.00 57.90 57.82 1c1l n TYR 51 Cb 0.37 -0.03 0.00 0.00 -0.63 0.00 0.00 39.34 39.06 1c1l n TYR 51 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1c1l n GLY 52 N 2.30 3.90 0.20 2.98 0.00 -1.26 -1.27 105.19 112.03 1c1l n GLY 52 Ca 0.27 0.18 0.04 0.00 0.00 0.00 0.00 46.02 46.51 1c1l n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c1l h ALA 53 N -0.79 1.44 -1.98 4.61 0.00 -2.01 -3.39 119.26 117.14 1c1l h ALA 53 Ca 0.00 -0.28 -0.60 0.00 0.00 0.00 0.00 54.91 54.03 1c1l h ALA 53 Cb 0.00 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 17.64 1c1l h ALA 53 CO 0.00 0.38 0.58 -0.51 0.00 0.00 0.00 179.25 179.71 1c1l s ASP 54 N -6.87 6.57 -0.14 0.00 1.01 -0.40 -5.00 116.67 111.85 1c1l s ASP 54 Ca -0.03 0.32 0.02 0.00 0.71 0.00 0.00 52.55 53.57 1c1l s ASP 54 Cb 0.14 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.63 1c1l s ASP 54 CO 0.71 -0.96 -0.20 -1.10 0.21 0.00 0.00 175.17 173.83 1c1l s GLN 55 N 3.61 2.82 -1.35 8.23 -1.52 -1.26 -0.66 119.66 129.54 1c1l s GLN 55 Ca 0.37 -0.78 -0.14 0.00 -1.95 0.00 0.00 55.36 52.86 1c1l s GLN 55 Cb -0.11 -2.31 0.01 0.00 -0.22 0.00 0.00 33.01 30.38 1c1l s GLN 55 CO 0.23 -0.04 0.44 0.09 -0.25 0.00 0.00 175.29 175.75 1c1l n ASN 56 N 4.15 -1.93 -4.26 5.90 3.02 0.10 -4.97 115.26 117.28 1c1l n ASN 56 Ca -0.20 -1.18 -0.30 0.00 -0.03 0.00 0.00 54.58 52.88 1c1l n ASN 56 Cb 0.51 -2.27 -0.16 0.00 -0.61 0.00 0.00 39.78 37.26 1c1l n ASN 56 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c1l s THR 57 N -3.87 1.88 -0.19 3.41 2.01 -0.29 -4.53 115.64 114.05 1c1l s THR 57 Ca 0.23 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.12 1c1l s THR 57 Cb -0.11 -1.57 -0.05 0.00 0.01 0.00 0.00 72.50 70.78 1c1l s THR 57 CO 0.94 0.53 0.16 -0.63 -0.69 0.00 0.00 174.62 174.93 1c1l s ILE 58 N -0.40 5.39 -0.10 1.82 1.01 0.36 -0.43 121.20 128.84 1c1l s ILE 58 Ca 0.05 0.25 0.03 0.00 0.00 0.00 0.00 60.65 60.99 1c1l s ILE 58 Cb -0.11 -3.50 0.00 0.00 0.01 0.00 0.00 42.46 38.87 1c1l s ILE 58 CO 0.01 0.43 -0.22 -0.69 0.00 0.00 0.00 174.94 174.47 1c1l s VAL 59 N 0.40 1.90 -0.04 2.92 1.01 -0.03 -0.79 120.40 125.77 1c1l s VAL 59 Ca 0.10 -0.92 0.06 0.00 0.00 0.00 0.00 61.98 61.22 1c1l s VAL 59 Cb -0.11 -1.66 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 1c1l s VAL 59 CO -0.01 0.52 -0.23 -0.04 0.00 0.00 0.00 175.10 175.34 1c1l s MET 60 N 0.51 2.37 0.32 2.72 -1.94 0.88 -0.39 119.30 123.77 1c1l s MET 60 Ca -0.15 -0.88 -0.13 0.00 -1.71 0.00 0.00 55.69 52.82 1c1l s MET 60 Cb -0.17 -2.16 0.05 0.00 2.01 0.00 0.00 34.83 34.57 1c1l s MET 60 CO 0.06 0.49 0.69 -1.71 -0.01 0.00 0.00 175.02 174.54 1c1l n ASN 61 N 2.64 -1.90 -4.14 3.03 2.85 -0.80 -1.22 115.26 115.71 1c1l n ASN 61 Ca -0.17 -2.29 -0.11 0.00 -0.11 0.00 0.00 54.58 51.90 1c1l n ASN 61 Cb 0.52 3.16 -0.09 0.00 1.24 0.00 0.00 39.78 44.61 1c1l n ASN 61 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1c1l s SER 62 N -2.79 0.13 -0.20 1.20 1.04 -1.26 -0.56 113.70 111.27 1c1l s SER 62 Ca 0.14 -1.24 -0.24 0.00 0.48 0.00 0.00 55.95 55.09 1c1l s SER 62 Cb -0.04 0.40 0.06 0.00 0.10 0.00 0.00 66.02 66.55 1c1l s SER 62 CO 0.09 -0.87 0.65 0.28 0.98 0.00 0.00 173.24 174.37 1c1l s THR 63 N -4.10 0.00 -1.38 2.02 -1.32 -0.95 -2.47 115.64 107.44 1c1l s THR 63 Ca 0.32 -0.02 0.18 0.00 -1.21 0.00 0.00 61.69 60.96 1c1l s THR 63 Cb 0.06 -0.92 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 1c1l s THR 63 CO 0.09 -0.01 0.87 0.18 -2.21 0.00 0.00 174.62 173.53 1c1l n LEU 64 N 2.32 1.45 -2.66 9.08 4.77 -1.26 -0.71 117.00 129.98 1c1l n LEU 64 Ca -0.15 -0.68 -0.07 0.00 -0.03 0.00 0.00 56.01 55.08 1c1l n LEU 64 Cb 0.56 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1c1l n LEU 64 CO 0.09 0.29 0.00 0.29 -1.33 0.00 0.00 177.39 176.74 1c1l n LYS 65 N -0.53 1.95 0.00 3.23 5.02 -1.15 -4.66 118.16 122.02 1c1l n LYS 65 Ca 0.06 -3.60 0.00 0.00 -2.02 0.00 0.00 58.31 52.75 1c1l n LYS 65 Cb 0.34 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1c1l n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c1l n GLY 66 N -0.48 2.92 0.09 0.72 0.00 0.49 -2.03 105.19 106.90 1c1l n GLY 66 Ca 0.15 -0.30 0.10 0.00 0.00 0.00 0.00 46.02 45.97 1c1l n GLY 66 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1c1l n ASP 67 N 1.37 0.44 -1.39 1.61 2.03 -1.26 -2.11 116.55 117.24 1c1l n ASP 67 Ca 0.00 0.62 0.09 0.00 0.52 0.00 0.00 54.79 56.02 1c1l n ASP 67 Cb 0.00 -0.71 0.32 0.00 -0.72 0.00 0.00 41.12 40.02 1c1l n ASP 67 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 1c1l n ASN 68 N -2.00 4.37 -0.14 1.67 3.02 -0.86 -4.46 115.26 116.85 1c1l n ASN 68 Ca 0.02 -2.36 0.04 0.00 -0.03 0.00 0.00 54.58 52.25 1c1l n ASN 68 Cb 0.19 -0.52 0.05 0.00 -0.61 0.00 0.00 39.78 38.90 1c1l n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c1l n GLY 69 N 1.04 2.27 3.71 7.41 0.00 -0.90 -4.89 105.19 113.83 1c1l n GLY 69 Ca 0.24 -0.44 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 1c1l n GLY 69 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c1l n TRP 70 N -0.67 2.59 -0.55 1.61 7.02 -1.26 -4.22 117.44 121.96 1c1l n TRP 70 Ca 0.06 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.82 1c1l n TRP 70 Cb 0.54 -2.56 0.00 0.00 -2.42 0.00 0.00 31.31 26.87 1c1l n TRP 70 CO 0.00 0.00 0.00 0.39 -2.02 0.00 0.00 177.69 176.06 1c1l n GLU 71 N 2.45 3.49 -2.24 -0.99 1.02 -1.03 -5.02 120.64 118.31 1c1l n GLU 71 Ca 0.11 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.82 1c1l n GLU 71 Cb 0.34 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.74 1c1l n GLU 71 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1c1l s THR 72 N 3.90 3.97 0.33 2.62 2.01 -1.26 -4.93 115.64 122.29 1c1l s THR 72 Ca 0.00 1.17 -0.27 0.00 0.31 0.00 0.00 61.69 62.89 1c1l s THR 72 Cb 0.00 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1c1l s THR 72 CO 0.00 -0.13 1.14 -1.61 -0.69 0.00 0.00 174.62 173.32 1c1l s GLU 73 N 3.82 4.39 -0.12 4.92 2.02 -1.26 -4.70 118.70 127.77 1c1l s GLU 73 Ca 0.63 1.82 0.02 0.00 0.02 0.00 0.00 54.97 57.46 1c1l s GLU 73 Cb -0.26 -2.95 -0.01 0.00 0.10 0.00 0.00 34.13 31.01 1c1l s GLU 73 CO 0.22 -0.02 -0.18 -0.65 0.02 0.00 0.00 175.26 174.65 1c1l s GLN 74 N -1.86 3.23 0.18 1.61 -0.21 -0.36 -4.97 119.66 117.29 1c1l s GLN 74 Ca 0.50 -0.77 0.11 0.00 0.02 0.00 0.00 55.36 55.22 1c1l s GLN 74 Cb -0.31 -2.50 -0.04 0.00 1.00 0.00 0.00 33.01 31.15 1c1l s GLN 74 CO 0.40 0.18 -0.20 1.03 -2.12 0.00 0.00 175.29 174.58 1c1l s ARG 75 N 0.41 1.69 -0.02 2.91 0.52 -1.26 -0.08 118.95 123.11 1c1l s ARG 75 Ca -0.13 -1.43 -0.05 0.00 -0.52 0.00 0.00 55.73 53.60 1c1l s ARG 75 Cb -0.17 -1.95 0.00 0.00 0.52 0.00 0.00 34.95 33.36 1c1l s ARG 75 CO 0.06 0.41 0.11 0.45 0.02 0.00 0.00 175.30 176.36 1c1l s SER 76 N -2.68 -0.03 -0.19 0.23 0.15 0.03 -4.99 113.70 106.22 1c1l s SER 76 Ca 0.22 0.01 0.16 0.00 0.70 0.00 0.00 55.95 57.04 1c1l s SER 76 Cb -0.08 0.22 0.51 0.00 -1.71 0.00 0.00 66.02 64.96 1c1l s SER 76 CO 0.11 -0.18 1.41 0.35 1.20 0.00 0.00 173.24 176.14 1c1l n THR 77 N 2.34 2.31 -2.58 6.45 -2.24 -1.26 -0.49 114.28 118.81 1c1l n THR 77 Ca -0.17 -2.03 -0.43 0.00 -2.27 0.00 0.00 64.05 59.15 1c1l n THR 77 Cb 0.57 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 1c1l n THR 77 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1c1l n ASN 78 N -0.67 5.05 -4.60 3.42 2.85 -1.26 -4.95 115.26 115.11 1c1l n ASN 78 Ca 0.23 -3.02 -0.37 0.00 -0.11 0.00 0.00 54.58 51.31 1c1l n ASN 78 Cb 0.90 -1.56 -0.11 0.00 1.24 0.00 0.00 39.78 40.26 1c1l n ASN 78 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1c1l s PHE 79 N 1.44 3.23 0.00 1.20 2.19 -1.26 -4.71 117.98 120.07 1c1l s PHE 79 Ca 0.43 0.08 0.00 0.00 0.33 0.00 0.00 56.93 57.77 1c1l s PHE 79 Cb 0.04 -2.31 0.00 0.00 -1.31 0.00 0.00 43.02 39.44 1c1l s PHE 79 CO 0.00 -0.10 0.35 0.25 1.83 0.00 0.00 175.22 177.55 1c1l n THR 80 N 4.72 0.00 -2.48 0.12 -2.24 -1.26 -5.05 114.28 108.09 1c1l n THR 80 Ca -0.15 -0.45 -0.27 0.00 -2.27 0.00 0.00 64.05 60.91 1c1l n THR 80 Cb 0.52 1.08 0.01 0.00 -2.10 0.00 0.00 70.33 69.84 1c1l n THR 80 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1c1l s LEU 81 N -0.42 3.46 0.03 3.22 1.43 -1.26 -4.99 118.68 120.15 1c1l s LEU 81 Ca 0.00 0.91 0.02 0.00 -1.03 0.00 0.00 54.13 54.03 1c1l s LEU 81 Cb 0.00 -3.83 -0.02 0.00 0.03 0.00 0.00 46.19 42.37 1c1l s LEU 81 CO 0.00 -0.76 -0.07 -0.44 0.23 0.00 0.00 176.35 175.31 1c1l s SER 82 N -4.18 0.79 0.39 2.29 0.01 -1.26 -5.12 113.70 106.62 1c1l s SER 82 Ca 0.50 -0.42 -0.26 0.00 1.31 0.00 0.00 55.95 57.08 1c1l s SER 82 Cb -0.10 0.01 -0.11 0.00 0.21 0.00 0.00 66.02 66.02 1c1l s SER 82 CO 0.46 -0.13 1.19 0.00 0.41 0.00 0.00 173.24 175.18 1c1l n ALA 83 N 1.89 0.90 -0.84 1.44 0.00 -1.26 -2.40 120.51 120.24 1c1l n ALA 83 Ca -0.20 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1c1l n ALA 83 Cb 0.56 -2.20 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1c1l n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c1l n GLY 84 N 0.92 0.66 3.96 0.00 0.00 -0.64 -4.90 105.19 105.18 1c1l n GLY 84 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1c1l n GLY 84 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1c1l s GLN 85 N -0.34 3.32 0.28 1.61 -2.07 -1.01 -4.68 119.66 116.77 1c1l s GLN 85 Ca 0.00 -0.55 -0.29 0.00 -1.82 0.00 0.00 55.36 52.70 1c1l s GLN 85 Cb 0.00 -2.70 -0.09 0.00 -1.09 0.00 0.00 33.01 29.12 1c1l s GLN 85 CO 0.00 0.09 1.01 -0.47 -1.32 0.00 0.00 175.29 174.60 1c1l s TYR 86 N -2.29 3.72 0.11 9.60 5.04 -1.26 -0.74 117.35 131.52 1c1l s TYR 86 Ca 0.42 1.79 0.03 0.00 -2.44 0.00 0.00 57.07 56.86 1c1l s TYR 86 Cb -0.10 -3.10 -0.04 0.00 0.35 0.00 0.00 41.96 39.07 1c1l s TYR 86 CO 0.34 -0.07 -0.08 -0.59 -1.34 0.00 0.00 175.55 173.81 1c1l s PHE 87 N -1.28 1.02 -0.02 4.97 -0.71 0.04 -4.94 117.98 117.06 1c1l s PHE 87 Ca 0.45 -0.81 -0.01 0.00 -1.04 0.00 0.00 56.93 55.52 1c1l s PHE 87 Cb -0.27 -0.56 0.02 0.00 -1.21 0.00 0.00 43.02 41.00 1c1l s PHE 87 CO 0.34 -0.06 0.05 -1.21 -1.34 0.00 0.00 175.22 173.00 1c1l s GLU 88 N -3.56 0.02 -0.06 1.99 2.02 -1.26 -1.78 118.70 116.08 1c1l s GLU 88 Ca 0.11 0.14 0.02 0.00 0.02 0.00 0.00 54.97 55.26 1c1l s GLU 88 Cb 0.03 -0.09 0.02 0.00 0.10 0.00 0.00 34.13 34.18 1c1l s GLU 88 CO -0.02 -0.08 -0.09 0.42 0.02 0.00 0.00 175.26 175.51 1c1l s ILE 89 N 0.51 0.90 -0.13 -1.63 1.01 -0.21 -1.67 121.20 119.98 1c1l s ILE 89 Ca -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 60.65 60.24 1c1l s ILE 89 Cb -0.06 -0.86 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 1c1l s ILE 89 CO -0.02 0.31 -0.02 -0.89 0.00 0.00 0.00 174.94 174.32 1c1l s THR 90 N 0.82 4.06 -0.03 2.92 2.01 -0.08 -0.79 115.64 124.56 1c1l s THR 90 Ca -0.12 -0.31 0.08 0.00 0.31 0.00 0.00 61.69 61.64 1c1l s THR 90 Cb -0.15 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.58 1c1l s THR 90 CO 0.02 0.53 -0.26 -0.76 -0.69 0.00 0.00 174.62 173.46 1c1l s LEU 91 N -0.04 2.05 0.19 4.42 1.43 0.49 -0.42 118.68 126.80 1c1l s LEU 91 Ca 0.02 -0.47 -0.05 0.00 -1.03 0.00 0.00 54.13 52.60 1c1l s LEU 91 Cb -0.13 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.73 1c1l s LEU 91 CO 0.02 0.30 0.22 -0.94 0.23 0.00 0.00 176.35 176.19 1c1l s SER 92 N -0.52 0.10 0.15 2.29 1.04 -0.77 -0.94 113.70 115.05 1c1l s SER 92 Ca 0.07 -1.18 -0.23 0.00 0.48 0.00 0.00 55.95 55.09 1c1l s SER 92 Cb -0.11 0.42 0.07 0.00 0.10 0.00 0.00 66.02 66.51 1c1l s SER 92 CO -0.00 -0.90 0.60 -0.72 0.98 0.00 0.00 173.24 173.20 1c1l s TYR 93 N -4.08 -0.55 0.00 5.02 1.13 -1.26 -0.63 117.35 116.98 1c1l s TYR 93 Ca 0.30 0.37 0.00 0.00 -1.41 0.00 0.00 57.07 56.33 1c1l s TYR 93 Cb 0.05 0.55 0.00 0.00 -1.10 0.00 0.00 41.96 41.46 1c1l s TYR 93 CO 0.08 -0.84 0.00 -0.40 -2.51 0.00 0.00 175.55 171.88 1c1l n ASP 94 N -0.31 1.50 0.28 -0.18 5.68 -0.02 -3.08 116.55 120.40 1c1l n ASP 94 Ca -0.17 -0.79 0.18 0.00 -0.50 0.00 0.00 54.79 53.51 1c1l n ASP 94 Cb 0.65 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.44 1c1l n ASP 94 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1c1l h ILE 95 N 0.79 0.00 0.00 2.12 6.09 -1.97 -3.22 117.51 121.33 1c1l h ILE 95 Ca 0.00 -0.34 -0.39 0.00 -1.37 0.00 0.00 64.86 62.76 1c1l h ILE 95 Cb 0.00 1.30 -0.07 0.00 0.47 0.00 0.00 36.82 38.52 1c1l h ILE 95 CO 0.00 0.00 -2.47 0.59 -3.07 0.00 0.00 178.15 173.20 1c1l n ASN 96 N -3.00 1.95 -3.95 2.19 3.02 -1.26 -4.53 115.26 109.68 1c1l n ASN 96 Ca -0.00 -0.13 -0.09 0.00 -0.03 0.00 0.00 54.58 54.33 1c1l n ASN 96 Cb 0.23 -0.40 -0.10 0.00 -0.61 0.00 0.00 39.78 38.90 1c1l n ASN 96 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1c1l s LYS 97 N -2.52 0.54 -0.01 3.52 1.02 -1.22 -0.68 119.74 120.39 1c1l s LYS 97 Ca -0.34 -0.77 -0.07 0.00 0.02 0.00 0.00 55.97 54.81 1c1l s LYS 97 Cb 0.09 0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 37.56 1c1l s LYS 97 CO 0.61 -0.12 0.26 -0.06 -0.92 0.00 0.00 175.35 175.11 1c1l s PHE 98 N -2.50 3.58 -0.18 3.18 0.40 0.60 -0.84 117.98 122.23 1c1l s PHE 98 Ca -0.06 0.58 0.01 0.00 -0.60 0.00 0.00 56.93 56.86 1c1l s PHE 98 Cb -0.02 -1.99 0.02 0.00 0.51 0.00 0.00 43.02 41.54 1c1l s PHE 98 CO -0.04 0.63 -0.18 0.71 0.70 0.00 0.00 175.22 177.04 1c1l s TYR 99 N -1.26 2.64 -0.25 0.36 2.02 0.20 -1.65 117.35 119.40 1c1l s TYR 99 Ca 0.26 -1.57 -0.03 0.00 -0.37 0.00 0.00 57.07 55.36 1c1l s TYR 99 Cb -0.13 -1.84 0.02 0.00 -0.40 0.00 0.00 41.96 39.61 1c1l s TYR 99 CO 0.15 -0.78 -0.03 0.42 -1.57 0.00 0.00 175.55 173.74 1c1l s ILE 100 N 1.33 3.15 -0.33 2.71 1.01 0.11 -1.85 121.20 127.34 1c1l s ILE 100 Ca 0.04 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 59.77 1c1l s ILE 100 Cb -0.13 -2.58 0.06 0.00 0.01 0.00 0.00 42.46 39.81 1c1l s ILE 100 CO -0.12 0.21 0.06 -0.62 0.00 0.00 0.00 174.94 174.47 1c1l s ASP 101 N 1.38 5.07 -0.13 3.58 -1.08 0.44 -0.47 116.67 125.45 1c1l s ASP 101 Ca 0.01 -1.35 -0.20 0.00 -0.52 0.00 0.00 52.55 50.49 1c1l s ASP 101 Cb -0.16 -1.78 -0.04 0.00 -1.46 0.00 0.00 42.92 39.48 1c1l s ASP 101 CO -0.03 -0.32 0.57 -0.63 0.52 0.00 0.00 175.17 175.28 1c1l s ILE 102 N 1.28 5.11 0.16 4.11 1.01 -0.49 -0.90 121.20 131.48 1c1l s ILE 102 Ca -0.02 1.12 -0.32 0.00 0.00 0.00 0.00 60.65 61.44 1c1l s ILE 102 Cb -0.20 -3.90 -0.10 0.00 0.01 0.00 0.00 42.46 38.26 1c1l s ILE 102 CO -0.00 0.24 1.63 -0.22 0.00 0.00 0.00 174.94 176.59 1c1l s LEU 103 N 1.09 4.37 -1.79 2.97 2.96 -0.67 -0.96 118.68 126.66 1c1l s LEU 103 Ca 0.29 2.67 0.00 0.00 -0.22 0.00 0.00 54.13 56.87 1c1l s LEU 103 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.94 1c1l s LEU 103 CO 0.12 -0.88 0.00 0.47 -1.32 0.00 0.00 176.35 174.74 1c1l n ASP 104 N 4.27 -5.62 -0.17 3.68 8.00 -1.26 -4.83 116.55 120.63 1c1l n ASP 104 Ca 0.15 0.42 0.00 0.00 0.71 0.00 0.00 54.79 56.06 1c1l n ASP 104 Cb 0.38 -4.60 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 1c1l n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c1l n GLY 105 N -0.12 6.00 3.87 0.44 0.00 -0.13 -4.99 105.19 110.26 1c1l n GLY 105 Ca -0.17 -1.69 -0.29 0.00 0.00 0.00 0.00 46.02 43.87 1c1l n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c1l s PRO 106 N 0.64 2.16 -0.16 1.61 0.04 -1.26 -4.64 135.00 133.40 1c1l s PRO 106 Ca 0.00 0.29 -0.04 0.00 0.04 0.00 0.00 61.00 61.29 1c1l s PRO 106 Cb 0.00 -1.96 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 1c1l s PRO 106 CO 0.00 -1.49 -0.03 -0.80 0.04 0.00 0.00 177.00 174.72 1c1l s ASN 107 N -4.39 4.87 0.23 6.66 0.02 -1.26 -1.40 114.94 119.67 1c1l s ASN 107 Ca 0.61 -0.11 0.09 0.00 -1.02 0.00 0.00 52.86 52.43 1c1l s ASN 107 Cb -0.12 -1.80 -0.05 0.00 0.02 0.00 0.00 41.25 39.30 1c1l s ASN 107 CO 0.51 0.16 -0.17 -0.76 0.02 0.00 0.00 177.10 176.86 1c1l s LEU 108 N 0.40 2.56 0.14 0.60 1.43 0.37 -4.97 118.68 119.21 1c1l s LEU 108 Ca -0.03 -1.01 0.08 0.00 -1.03 0.00 0.00 54.13 52.13 1c1l s LEU 108 Cb -0.14 -0.84 -0.04 0.00 0.03 0.00 0.00 46.19 45.20 1c1l s LEU 108 CO 0.03 -0.08 -0.17 -1.61 0.23 0.00 0.00 176.35 174.74 1c1l s GLU 109 N -3.52 1.17 -0.08 1.70 2.02 -1.26 -0.71 118.70 118.02 1c1l s GLU 109 Ca 0.25 -1.31 -0.11 0.00 0.02 0.00 0.00 54.97 53.82 1c1l s GLU 109 Cb -0.03 -1.21 0.02 0.00 0.10 0.00 0.00 34.13 33.02 1c1l s GLU 109 CO 0.10 0.25 0.28 0.12 0.02 0.00 0.00 175.26 176.03 1c1l s PHE 110 N -1.91 -0.25 0.55 1.61 5.36 -0.66 -4.97 117.98 117.71 1c1l s PHE 110 Ca 0.12 0.57 -0.21 0.00 -0.96 0.00 0.00 56.93 56.45 1c1l s PHE 110 Cb -0.06 0.09 -0.05 0.00 -0.34 0.00 0.00 43.02 42.66 1c1l s PHE 110 CO 0.05 -0.22 1.27 -1.25 -1.46 0.00 0.00 175.22 173.61 1c1l s PRO 111 N -0.34 3.18 -1.04 10.12 0.04 -1.26 -0.29 135.00 145.40 1c1l s PRO 111 Ca -0.05 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 62.85 1c1l s PRO 111 Cb -0.03 -2.17 0.17 0.00 0.04 0.00 0.00 34.50 32.51 1c1l s PRO 111 CO 0.01 -1.09 1.20 1.21 0.04 0.00 0.00 177.00 178.37 1c1l s ASN 112 N -1.24 6.86 0.44 6.66 3.84 0.14 -4.62 114.94 127.03 1c1l s ASN 112 Ca 0.72 -2.59 0.10 0.00 0.21 0.00 0.00 52.86 51.30 1c1l s ASN 112 Cb -0.35 -2.36 0.97 0.00 -0.55 0.00 0.00 41.25 38.96 1c1l s ASN 112 CO 0.40 -0.83 2.08 0.03 -2.79 0.00 0.00 177.10 176.00 1c1l h ARG 113 N 7.93 0.39 -0.47 0.43 3.08 -1.87 -2.97 114.38 120.90 1c1l h ARG 113 Ca 0.21 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1c1l h ARG 113 Cb 0.96 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1c1l h ARG 113 CO 1.11 0.26 0.00 0.66 -1.07 0.00 0.00 179.97 180.93 1c1l n TYR 114 N -4.49 1.00 -3.89 3.04 4.01 -1.26 -4.98 117.16 110.60 1c1l n TYR 114 Ca 0.01 -0.63 -0.27 0.00 -0.16 0.00 0.00 57.90 56.86 1c1l n TYR 114 Cb 0.07 -0.18 -0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1c1l n TYR 114 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1c1l n SER 115 N 0.59 -1.38 -4.80 7.72 7.64 -1.12 -4.94 113.62 117.32 1c1l n SER 115 Ca 0.20 -1.00 -0.38 0.00 1.01 0.00 0.00 58.87 58.69 1c1l n SER 115 Cb 0.73 -3.15 -0.06 0.00 -1.01 0.00 0.00 64.21 60.72 1c1l n SER 115 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1c1l s LYS 116 N -6.43 4.38 0.00 1.43 -0.14 -1.26 -4.96 119.74 112.76 1c1l s LYS 116 Ca 0.10 0.96 0.01 0.00 -1.36 0.00 0.00 55.97 55.68 1c1l s LYS 116 Cb -0.04 -3.17 0.01 0.00 -1.68 0.00 0.00 37.83 32.95 1c1l s LYS 116 CO 0.88 0.55 0.44 0.39 -0.76 0.00 0.00 175.35 176.85 1c1l n GLU 117 N 1.43 0.72 -3.71 1.68 1.02 -1.26 -4.62 120.64 115.90 1c1l n GLU 117 Ca -0.06 -0.46 -0.12 0.00 -0.02 0.00 0.00 57.16 56.50 1c1l n GLU 117 Cb 0.50 -0.93 -0.10 0.00 -0.02 0.00 0.00 31.44 30.89 1c1l n GLU 117 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c1l s PHE 118 N -0.31 -0.55 -0.23 -0.32 5.36 -1.26 -2.88 117.98 117.79 1c1l s PHE 118 Ca 0.01 1.26 -0.00 0.00 -0.96 0.00 0.00 56.93 57.24 1c1l s PHE 118 Cb 0.01 0.22 0.06 0.00 -0.34 0.00 0.00 43.02 42.97 1c1l s PHE 118 CO 0.02 -0.28 -0.03 -0.51 -1.46 0.00 0.00 175.22 172.97 1c1l s LEU 119 N 0.64 2.22 0.03 6.12 1.43 -0.92 -4.99 118.68 123.21 1c1l s LEU 119 Ca -0.03 -1.10 0.27 0.00 -1.03 0.00 0.00 54.13 52.24 1c1l s LEU 119 Cb -0.05 -1.02 0.97 0.00 0.03 0.00 0.00 46.19 46.12 1c1l s LEU 119 CO -0.04 -0.26 1.76 -0.81 0.23 0.00 0.00 176.35 177.23 1c1l n PRO 120 N 4.77 0.05 -4.61 1.29 -0.04 -1.16 -4.45 135.00 130.86 1c1l n PRO 120 Ca -0.11 0.03 -0.22 0.00 -0.04 0.00 0.00 63.50 63.17 1c1l n PRO 120 Cb 0.45 -1.55 -0.15 0.00 -0.04 0.00 0.00 33.50 32.21 1c1l n PRO 120 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1c1l s PHE 121 N -3.02 1.20 -0.02 0.54 5.36 -0.27 -5.02 117.98 116.75 1c1l s PHE 121 Ca 0.12 -0.23 0.01 0.00 -0.96 0.00 0.00 56.93 55.87 1c1l s PHE 121 Cb 0.17 -0.78 0.01 0.00 -0.34 0.00 0.00 43.02 42.09 1c1l s PHE 121 CO 0.59 -0.02 -0.02 -1.17 -1.46 0.00 0.00 175.22 173.14 1c1l s LEU 122 N -0.30 1.55 0.04 6.12 2.96 -1.26 -1.72 118.68 126.07 1c1l s LEU 122 Ca 0.05 -0.05 -0.05 0.00 -0.22 0.00 0.00 54.13 53.85 1c1l s LEU 122 Cb -0.05 -0.22 -0.01 0.00 0.50 0.00 0.00 46.19 46.40 1c1l s LEU 122 CO -0.00 -0.03 0.09 -0.55 -1.32 0.00 0.00 176.35 174.54 1c1l s SER 123 N 0.53 0.18 -0.09 3.68 0.15 -0.27 -5.02 113.70 112.86 1c1l s SER 123 Ca -0.05 -0.54 0.01 0.00 0.70 0.00 0.00 55.95 56.07 1c1l s SER 123 Cb -0.08 0.23 -0.02 0.00 -1.71 0.00 0.00 66.02 64.43 1c1l s SER 123 CO -0.01 -0.51 -0.13 -0.22 1.20 0.00 0.00 173.24 173.57 1c1l s LEU 124 N -2.13 2.75 0.17 3.45 2.96 -1.26 -0.40 118.68 124.22 1c1l s LEU 124 Ca -0.05 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.68 1c1l s LEU 124 Cb -0.01 -1.59 -0.04 0.00 0.50 0.00 0.00 46.19 45.04 1c1l s LEU 124 CO -0.05 0.25 -0.15 0.00 -1.32 0.00 0.00 176.35 175.08 1c1l s ALA 125 N -0.15 1.85 0.00 5.97 0.00 0.05 -4.97 121.76 124.51 1c1l s ALA 125 Ca -0.01 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1c1l s ALA 125 Cb -0.13 -0.10 0.00 0.00 0.00 0.00 0.00 23.12 22.88 1c1l s ALA 125 CO 0.03 0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.31 1c1l n GLY 126 N 0.03 -0.36 2.55 0.00 0.00 -1.26 -0.63 105.19 105.51 1c1l n GLY 126 Ca -0.11 -1.57 -0.40 0.00 0.00 0.00 0.00 46.02 43.93 1c1l n GLY 126 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c1l n ASP 127 N 0.34 7.39 -3.68 1.61 8.00 0.47 -4.84 116.55 125.84 1c1l n ASP 127 Ca 0.00 -3.06 -0.08 0.00 0.71 0.00 0.00 54.79 52.36 1c1l n ASP 127 Cb 0.00 -1.42 -0.02 0.00 -0.02 0.00 0.00 41.12 39.66 1c1l n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c1l s ALA 128 N -0.29 -1.44 -0.15 2.24 0.00 -1.26 -1.09 121.76 119.77 1c1l s ALA 128 Ca 0.53 0.10 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1c1l s ALA 128 Cb 0.16 0.80 0.01 0.00 0.00 0.00 0.00 23.12 24.10 1c1l s ALA 128 CO -0.07 -0.93 -0.21 0.50 0.00 0.00 0.00 175.76 175.05 1c1l s ARG 129 N -3.72 3.00 -0.12 0.00 3.52 0.45 -4.89 118.95 117.19 1c1l s ARG 129 Ca 0.08 -0.84 -0.29 0.00 -0.13 0.00 0.00 55.73 54.54 1c1l s ARG 129 Cb -0.03 -2.45 -0.01 0.00 -1.56 0.00 0.00 34.95 30.89 1c1l s ARG 129 CO -0.01 -0.06 0.99 -1.17 -0.81 0.00 0.00 175.30 174.24 1c1l s LEU 130 N 0.92 4.22 -0.00 -0.88 2.96 -1.26 -1.18 118.68 123.46 1c1l s LEU 130 Ca -0.04 1.48 0.01 0.00 -0.22 0.00 0.00 54.13 55.35 1c1l s LEU 130 Cb -0.15 -3.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.00 1c1l s LEU 130 CO -0.04 -0.47 0.02 0.35 -1.32 0.00 0.00 176.35 174.89 1c1l n THR 131 N 4.65 0.02 -4.03 3.68 -2.24 -0.37 -4.96 114.28 111.03 1c1l n THR 131 Ca 0.09 -0.03 -0.14 0.00 -2.27 0.00 0.00 64.05 61.69 1c1l n THR 131 Cb 0.48 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.57 1c1l n THR 131 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1c1l s LEU 132 N -3.40 1.96 -0.05 3.22 0.20 -0.85 -5.00 118.68 114.76 1c1l s LEU 132 Ca -0.00 -0.05 0.01 0.00 0.69 0.00 0.00 54.13 54.77 1c1l s LEU 132 Cb 0.01 -0.15 0.02 0.00 -0.43 0.00 0.00 46.19 45.63 1c1l s LEU 132 CO 0.05 0.03 -0.05 -0.69 -0.29 0.00 0.00 176.35 175.39 1c1l s VAL 133 N -0.01 0.59 0.02 1.68 1.01 -1.26 -1.27 120.40 121.16 1c1l s VAL 133 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 61.89 1c1l s VAL 133 Cb -0.02 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1c1l s VAL 133 CO -0.00 0.24 -0.15 -0.75 0.00 0.00 0.00 175.10 174.44 1c1l s LYS 134 N 0.97 1.06 -0.03 2.72 2.20 -0.22 -4.99 119.74 121.45 1c1l s LYS 134 Ca -0.10 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.82 1c1l s LYS 134 Cb -0.14 -1.07 0.03 0.00 -1.51 0.00 0.00 37.83 35.13 1c1l s LYS 134 CO -0.00 0.28 -0.01 -1.17 -0.36 0.00 0.00 175.35 174.08 1c1l s LEU 135 N -0.86 1.23 0.00 5.43 2.96 -1.26 -0.58 118.68 125.60 1c1l s LEU 135 Ca 0.04 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 1c1l s LEU 135 Cb -0.07 -0.28 0.00 0.00 0.50 0.00 0.00 46.19 46.34 1c1l s LEU 135 CO 0.01 -0.08 0.12 -0.62 -1.32 0.00 0.00 176.35 174.45