#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c1f n GLY 3 N 0.00 1.58 3.09 -0.02 0.00 -1.26 -5.02 105.19 103.56 1c1f n GLY 3 Ca 0.00 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.74 1c1f n GLY 3 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c1f s LEU 4 N 0.00 1.79 -0.31 0.99 2.96 -1.26 -5.11 118.68 117.75 1c1f s LEU 4 Ca 0.00 -0.40 -0.19 0.00 -0.22 0.00 0.00 54.13 53.32 1c1f s LEU 4 Cb 0.00 -1.05 -0.01 0.00 0.50 0.00 0.00 46.19 45.63 1c1f s LEU 4 CO 0.00 0.07 0.56 -1.58 -1.32 0.00 0.00 176.35 174.08 1c1f s GLN 5 N 0.63 3.85 -0.48 1.98 2.00 -1.26 -5.01 119.66 121.37 1c1f s GLN 5 Ca -0.14 0.15 -0.10 0.00 -2.00 0.00 0.00 55.36 53.27 1c1f s GLN 5 Cb -0.16 -3.74 0.12 0.00 0.80 0.00 0.00 33.01 30.03 1c1f s GLN 5 CO 0.04 -0.54 0.36 0.08 -0.50 0.00 0.00 175.29 174.73 1c1f s VAL 6 N 2.47 4.32 0.27 1.34 1.01 -1.26 -4.95 120.40 123.61 1c1f s VAL 6 Ca 0.22 -1.73 -0.00 0.00 0.00 0.00 0.00 61.98 60.47 1c1f s VAL 6 Cb -0.15 -3.83 0.28 0.00 0.00 0.00 0.00 36.38 32.68 1c1f s VAL 6 CO 0.12 -0.77 1.86 0.50 0.00 0.00 0.00 175.10 176.81 1c1f h LYS 7 N 8.50 1.05 0.00 2.72 3.64 -2.04 -2.35 116.57 128.09 1c1f h LYS 7 Ca -0.22 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1c1f h LYS 7 Cb 1.08 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1c1f h LYS 7 CO 0.87 0.70 0.00 -0.91 -2.27 0.00 0.00 179.45 177.84 1c1f h ASN 8 N 1.09 0.00 -2.81 4.20 4.21 -2.05 -3.41 115.58 116.81 1c1f h ASN 8 Ca 0.47 0.00 -0.67 0.00 1.21 0.00 0.00 56.30 57.31 1c1f h ASN 8 Cb 0.34 0.00 -0.17 0.00 -1.12 0.00 0.00 38.32 37.36 1c1f h ASN 8 CO -0.22 0.00 0.31 -0.36 -1.29 0.00 0.00 177.43 175.87 1c1f s PHE 9 N -3.46 2.85 -0.45 1.19 0.40 -0.89 -4.97 117.98 112.65 1c1f s PHE 9 Ca 0.04 -0.75 -0.12 0.00 -0.60 0.00 0.00 56.93 55.50 1c1f s PHE 9 Cb 0.09 -4.13 0.08 0.00 0.51 0.00 0.00 43.02 39.58 1c1f s PHE 9 CO 0.52 -1.45 0.33 -0.51 0.70 0.00 0.00 175.22 174.81 1c1f s ASP 10 N 3.61 5.87 -1.13 1.36 1.01 -1.26 -4.97 116.67 121.16 1c1f s ASP 10 Ca 0.17 -1.49 -0.18 0.00 0.71 0.00 0.00 52.55 51.76 1c1f s ASP 10 Cb -0.21 -2.08 0.12 0.00 1.01 0.00 0.00 42.92 41.77 1c1f s ASP 10 CO 0.08 -0.61 1.43 0.12 0.21 0.00 0.00 175.17 176.40 1c1f s PHE 11 N 1.51 3.07 0.47 4.23 5.36 -1.26 -4.93 117.98 126.43 1c1f s PHE 11 Ca 0.04 -1.61 0.08 0.00 -0.96 0.00 0.00 56.93 54.48 1c1f s PHE 11 Cb -0.24 -4.47 0.02 0.00 -0.34 0.00 0.00 43.02 37.98 1c1f s PHE 11 CO 0.04 -1.61 0.51 0.95 -1.46 0.00 0.00 175.22 173.64 1c1f s THR 12 N 3.05 2.45 0.11 0.12 -4.23 -1.26 -2.32 115.64 113.57 1c1f s THR 12 Ca 0.43 -1.23 -0.35 0.00 -1.18 0.00 0.00 61.69 59.36 1c1f s THR 12 Cb -0.01 -2.68 -0.15 0.00 1.34 0.00 0.00 72.50 71.00 1c1f s THR 12 CO -0.02 0.00 1.46 0.52 -0.54 0.00 0.00 174.62 176.04 1c1f n VAL 13 N -1.79 0.01 0.00 2.29 0.31 -1.18 -1.94 118.33 116.03 1c1f n VAL 13 Ca 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 1c1f n VAL 13 Cb 0.62 -1.17 0.00 0.00 -0.91 0.00 0.00 33.84 32.37 1c1f n VAL 13 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c1f n GLY 14 N 2.98 2.12 3.88 2.92 0.00 -1.08 -5.02 105.19 110.99 1c1f n GLY 14 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 1c1f n GLY 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c1f s LYS 15 N -0.90 3.75 -0.27 1.61 -0.14 -0.82 -5.02 119.74 117.97 1c1f s LYS 15 Ca 0.00 0.34 -0.03 0.00 -1.36 0.00 0.00 55.97 54.92 1c1f s LYS 15 Cb 0.00 -2.47 0.02 0.00 -1.68 0.00 0.00 37.83 33.70 1c1f s LYS 15 CO 0.00 0.06 -0.01 -0.06 -0.76 0.00 0.00 175.35 174.58 1c1f s PHE 16 N -2.25 3.10 -0.29 3.18 0.40 -1.26 -4.33 117.98 116.53 1c1f s PHE 16 Ca 0.49 -1.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.35 1c1f s PHE 16 Cb -0.10 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 1c1f s PHE 16 CO 0.30 -0.68 0.21 -1.17 0.70 0.00 0.00 175.22 174.58 1c1f s LEU 17 N 1.39 4.07 -0.16 -0.37 2.96 0.36 -1.33 118.68 125.61 1c1f s LEU 17 Ca 0.01 -0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 1c1f s LEU 17 Cb -0.17 -2.15 -0.03 0.00 0.50 0.00 0.00 46.19 44.34 1c1f s LEU 17 CO -0.02 -0.08 -0.04 -0.89 -1.32 0.00 0.00 176.35 174.00 1c1f s THR 18 N 1.79 3.90 -0.06 3.68 2.01 0.26 -0.44 115.64 126.77 1c1f s THR 18 Ca 0.08 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.72 1c1f s THR 18 Cb -0.16 -2.71 -0.03 0.00 0.01 0.00 0.00 72.50 69.61 1c1f s THR 18 CO 0.11 0.49 -0.03 0.68 -0.69 0.00 0.00 174.62 175.18 1c1f s VAL 19 N 0.35 3.99 0.09 3.82 -7.23 -0.25 -0.69 120.40 120.48 1c1f s VAL 19 Ca -0.04 -0.42 0.03 0.00 -1.81 0.00 0.00 61.98 59.74 1c1f s VAL 19 Cb -0.14 -2.67 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 1c1f s VAL 19 CO 0.03 0.56 -0.09 -0.83 -0.31 0.00 0.00 175.10 174.47 1c1f s GLY 20 N -0.96 0.77 0.00 2.32 0.00 -0.26 -1.41 107.32 107.79 1c1f s GLY 20 Ca 0.14 -1.16 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1c1f s GLY 20 CO 0.03 -1.24 0.00 0.61 0.00 0.00 0.00 173.10 172.50 1c1f n GLY 21 N 0.56 -0.77 3.18 0.20 0.00 -0.78 -1.07 105.19 106.50 1c1f n GLY 21 Ca -0.16 -0.81 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 1c1f n GLY 21 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c1f s PHE 22 N -3.00 2.08 0.26 1.61 0.40 -0.66 -0.61 117.98 118.07 1c1f s PHE 22 Ca 0.00 -0.69 -0.27 0.00 -0.60 0.00 0.00 56.93 55.37 1c1f s PHE 22 Cb 0.00 -1.40 -0.09 0.00 0.51 0.00 0.00 43.02 42.04 1c1f s PHE 22 CO 0.00 -0.25 0.91 0.42 0.70 0.00 0.00 175.22 177.00 1c1f s ILE 23 N 0.13 4.19 0.81 0.64 1.01 0.02 -0.51 121.20 127.49 1c1f s ILE 23 Ca -0.09 1.90 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 1c1f s ILE 23 Cb -0.14 -4.16 0.08 0.00 0.01 0.00 0.00 42.46 38.25 1c1f s ILE 23 CO 0.04 0.35 1.14 0.20 0.00 0.00 0.00 174.94 176.67 1c1f s ASN 24 N -1.37 3.89 0.50 3.58 0.01 -0.55 -2.41 114.94 118.60 1c1f s ASN 24 Ca 0.44 2.10 -0.20 0.00 -0.71 0.00 0.00 52.86 54.48 1c1f s ASN 24 Cb -0.22 -2.56 -0.07 0.00 0.41 0.00 0.00 41.25 38.81 1c1f s ASN 24 CO 0.28 -2.45 1.08 0.20 -1.51 0.00 0.00 177.10 174.69 1c1f s ASN 25 N -2.74 6.12 -1.29 -1.22 0.02 -1.26 -1.47 114.94 113.10 1c1f s ASN 25 Ca 0.67 2.05 -0.09 0.00 -1.02 0.00 0.00 52.86 54.47 1c1f s ASN 25 Cb -0.22 -2.57 -0.00 0.00 0.02 0.00 0.00 41.25 38.47 1c1f s ASN 25 CO 0.53 -0.94 0.60 -1.20 0.02 0.00 0.00 177.10 176.11 1c1f n SER 26 N -1.02 -2.43 -4.83 -1.22 7.64 -1.26 -4.90 113.62 105.60 1c1f n SER 26 Ca 0.10 -1.00 -0.32 0.00 1.01 0.00 0.00 58.87 58.66 1c1f n SER 26 Cb 0.51 -3.24 -0.02 0.00 -1.01 0.00 0.00 64.21 60.45 1c1f n SER 26 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1c1f s PRO 27 N -6.30 3.79 -0.19 1.43 0.04 -1.25 -4.99 135.00 127.52 1c1f s PRO 27 Ca 0.20 1.01 -0.17 0.00 0.04 0.00 0.00 61.00 62.08 1c1f s PRO 27 Cb -0.07 -2.11 -0.07 0.00 0.04 0.00 0.00 34.50 32.29 1c1f s PRO 27 CO 0.87 -0.41 -0.33 0.94 0.04 0.00 0.00 177.00 178.12 1c1f n GLN 28 N -1.71 0.53 -3.53 4.56 7.27 -1.26 -4.22 117.38 119.03 1c1f n GLN 28 Ca 0.07 0.25 -0.07 0.00 0.07 0.00 0.00 57.00 57.32 1c1f n GLN 28 Cb 0.54 -1.47 -0.02 0.00 2.41 0.00 0.00 30.24 31.70 1c1f n GLN 28 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1c1f s ARG 29 N -2.78 0.70 -0.00 3.69 1.70 -1.26 -1.16 118.95 119.84 1c1f s ARG 29 Ca -0.30 -0.25 -0.13 0.00 -0.47 0.00 0.00 55.73 54.59 1c1f s ARG 29 Cb 0.06 0.32 0.02 0.00 -0.57 0.00 0.00 34.95 34.78 1c1f s ARG 29 CO 0.43 -0.30 0.26 -0.59 -1.08 0.00 0.00 175.30 174.01 1c1f s PHE 30 N -2.94 -0.10 0.13 5.89 -0.71 -0.89 -0.73 117.98 118.63 1c1f s PHE 30 Ca 0.06 0.11 0.08 0.00 -1.04 0.00 0.00 56.93 56.14 1c1f s PHE 30 Cb -0.01 0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.81 1c1f s PHE 30 CO -0.08 -0.37 -0.18 -1.54 -1.34 0.00 0.00 175.22 171.71 1c1f s SER 31 N -1.44 2.43 -0.14 1.98 1.04 0.66 -0.64 113.70 117.59 1c1f s SER 31 Ca -0.13 -0.78 -0.03 0.00 0.48 0.00 0.00 55.95 55.49 1c1f s SER 31 Cb -0.05 -0.13 -0.03 0.00 0.10 0.00 0.00 66.02 65.91 1c1f s SER 31 CO 0.03 -0.03 -0.03 -0.69 0.98 0.00 0.00 173.24 173.50 1c1f s VAL 32 N -1.75 4.00 -0.10 5.02 1.01 -0.19 -0.82 120.40 127.57 1c1f s VAL 32 Ca 0.10 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.76 1c1f s VAL 32 Cb -0.07 -2.74 0.02 0.00 0.00 0.00 0.00 36.38 33.59 1c1f s VAL 32 CO 0.05 0.52 -0.08 0.20 0.00 0.00 0.00 175.10 175.78 1c1f s ASN 33 N 0.08 2.02 -0.01 3.32 0.01 0.53 -0.82 114.94 120.07 1c1f s ASN 33 Ca 0.00 -0.29 0.05 0.00 -0.71 0.00 0.00 52.86 51.91 1c1f s ASN 33 Cb -0.13 -0.82 -0.01 0.00 0.41 0.00 0.00 41.25 40.70 1c1f s ASN 33 CO 0.02 -0.08 -0.15 0.68 -1.51 0.00 0.00 177.10 176.06 1c1f s VAL 34 N 1.42 1.21 -0.26 1.60 -7.23 -0.28 -0.94 120.40 115.92 1c1f s VAL 34 Ca -0.00 -0.67 0.00 0.00 -1.81 0.00 0.00 61.98 59.50 1c1f s VAL 34 Cb -0.13 -1.01 0.00 0.00 0.56 0.00 0.00 36.38 35.79 1c1f s VAL 34 CO -0.05 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.68 1c1f n GLY 35 N 2.68 -0.91 0.11 2.32 0.00 -0.70 -1.18 105.19 107.52 1c1f n GLY 35 Ca -0.14 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 1c1f n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1c1f n GLU 36 N 0.00 0.68 -3.15 1.61 -0.58 0.69 -1.18 120.64 118.71 1c1f n GLU 36 Ca 0.00 0.12 -0.07 0.00 -0.42 0.00 0.00 57.16 56.79 1c1f n GLU 36 Cb 0.00 -1.57 0.02 0.00 -0.57 0.00 0.00 31.44 29.32 1c1f n GLU 36 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 1c1f n SER 37 N -3.08 -1.74 0.30 1.62 3.41 -0.99 -4.53 113.62 108.61 1c1f n SER 37 Ca -0.36 -2.24 0.18 0.00 -0.26 0.00 0.00 58.87 56.19 1c1f n SER 37 Cb 1.07 2.92 0.92 0.00 -0.26 0.00 0.00 64.21 68.85 1c1f n SER 37 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 1c1f h MET 38 N 0.00 0.00 0.00 4.33 2.86 -1.98 -2.81 114.93 117.33 1c1f h MET 38 Ca -0.26 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.38 1c1f h MET 38 Cb 0.95 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.61 1c1f h MET 38 CO 0.33 0.03 -1.10 0.09 1.06 0.00 0.00 176.91 177.31 1c1f n ASN 39 N -3.25 0.59 -3.71 1.22 4.13 -1.26 -4.67 115.26 108.32 1c1f n ASN 39 Ca -0.02 -0.09 -0.30 0.00 1.68 0.00 0.00 54.58 55.86 1c1f n ASN 39 Cb 0.19 0.83 -0.14 0.00 -1.54 0.00 0.00 39.78 39.11 1c1f n ASN 39 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1c1f s SER 40 N -4.22 3.89 -0.17 6.41 0.15 -1.06 -0.49 113.70 118.20 1c1f s SER 40 Ca 0.02 -1.86 -0.00 0.00 0.70 0.00 0.00 55.95 54.80 1c1f s SER 40 Cb 0.14 -0.86 0.00 0.00 -1.71 0.00 0.00 66.02 63.58 1c1f s SER 40 CO 0.81 -0.38 -0.15 -0.76 1.20 0.00 0.00 173.24 173.96 1c1f s LEU 41 N 1.34 2.45 0.23 3.45 1.43 -0.07 -0.22 118.68 127.28 1c1f s LEU 41 Ca 0.12 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.80 1c1f s LEU 41 Cb -0.19 -1.57 0.20 0.00 0.03 0.00 0.00 46.19 44.66 1c1f s LEU 41 CO -0.19 0.04 1.52 0.28 0.23 0.00 0.00 176.35 178.23 1c1f h SER 42 N 7.65 0.03 -3.31 2.29 0.02 -1.41 -2.36 113.55 116.45 1c1f h SER 42 Ca -0.38 -0.02 -0.21 0.00 -0.84 0.00 0.00 61.79 60.34 1c1f h SER 42 Cb 1.17 -0.01 -0.31 0.00 0.14 0.00 0.00 62.40 63.40 1c1f h SER 42 CO 0.60 0.74 -0.51 -0.22 -1.14 0.00 0.00 176.83 176.29 1c1f s LEU 43 N -7.40 0.38 -0.21 5.07 2.96 -0.57 -4.62 118.68 114.27 1c1f s LEU 43 Ca -0.01 0.48 0.01 0.00 -0.22 0.00 0.00 54.13 54.40 1c1f s LEU 43 Cb 0.12 0.65 0.05 0.00 0.50 0.00 0.00 46.19 47.51 1c1f s LEU 43 CO 0.78 -0.17 -0.11 -2.28 -1.32 0.00 0.00 176.35 173.25 1c1f s HIS 44 N 1.39 2.62 -0.39 5.38 5.65 -0.14 -1.13 115.29 128.68 1c1f s HIS 44 Ca -0.08 -1.77 -0.02 0.00 0.25 0.00 0.00 55.06 53.44 1c1f s HIS 44 Cb -0.11 -1.71 0.10 0.00 -1.18 0.00 0.00 32.58 29.68 1c1f s HIS 44 CO -0.08 -0.78 0.16 -1.17 -0.65 0.00 0.00 174.74 172.22 1c1f s LEU 45 N 1.33 5.05 -0.29 8.88 2.96 -0.00 -1.57 118.68 135.04 1c1f s LEU 45 Ca -0.03 -1.98 -0.09 0.00 -0.22 0.00 0.00 54.13 51.80 1c1f s LEU 45 Cb -0.17 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.71 1c1f s LEU 45 CO -0.08 -0.49 0.14 -0.62 -1.32 0.00 0.00 176.35 173.98 1c1f s ASP 46 N 1.61 5.55 -0.43 3.68 2.15 0.60 -1.02 116.67 128.81 1c1f s ASP 46 Ca 0.07 -0.33 -0.20 0.00 0.43 0.00 0.00 52.55 52.52 1c1f s ASP 46 Cb -0.22 -2.01 0.02 0.00 -0.30 0.00 0.00 42.92 40.42 1c1f s ASP 46 CO -0.05 -0.12 0.61 -1.00 -0.17 0.00 0.00 175.17 174.45 1c1f s HIS 47 N 1.65 3.08 -0.40 -5.34 3.76 0.19 -0.62 115.29 117.60 1c1f s HIS 47 Ca 0.06 -0.09 -0.13 0.00 -0.15 0.00 0.00 55.06 54.75 1c1f s HIS 47 Cb -0.16 -3.28 0.03 0.00 1.11 0.00 0.00 32.58 30.28 1c1f s HIS 47 CO 0.07 -0.84 0.26 1.03 -0.85 0.00 0.00 174.74 174.41 1c1f s ARG 48 N 2.72 2.87 -0.07 1.40 0.52 0.53 -2.09 118.95 124.84 1c1f s ARG 48 Ca 0.21 -1.11 -0.17 0.00 -0.52 0.00 0.00 55.73 54.14 1c1f s ARG 48 Cb -0.15 -3.87 -0.13 0.00 0.52 0.00 0.00 34.95 31.33 1c1f s ARG 48 CO 0.18 -0.77 0.67 0.74 0.02 0.00 0.00 175.30 176.14 1c1f h PHE 49 N 8.54 -0.18 -1.75 -0.53 -1.00 -1.41 0.10 116.94 120.71 1c1f h PHE 49 Ca -0.26 -0.00 -0.28 0.00 2.81 0.00 0.00 57.97 60.24 1c1f h PHE 49 Cb 1.11 0.06 -0.29 0.00 3.61 0.00 0.00 35.95 40.44 1c1f h PHE 49 CO 0.57 0.21 -0.61 1.21 -1.61 0.00 0.00 178.31 178.08 1c1f s ASN 50 N -5.50 0.57 -0.46 2.17 2.47 -0.88 -1.26 114.94 112.04 1c1f s ASN 50 Ca -0.10 -1.15 0.07 0.00 0.42 0.00 0.00 52.86 52.09 1c1f s ASN 50 Cb -0.00 0.91 0.23 0.00 -1.45 0.00 0.00 41.25 40.94 1c1f s ASN 50 CO 0.38 -0.27 0.51 0.00 -3.72 0.00 0.00 177.10 174.01 1c1f n TYR 51 N 4.56 0.42 0.00 0.43 9.36 0.99 -4.58 117.16 128.33 1c1f n TYR 51 Ca 0.08 -3.65 0.00 0.00 3.32 0.00 0.00 57.90 57.65 1c1f n TYR 51 Cb 0.48 -0.26 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 1c1f n TYR 51 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1c1f n GLY 52 N 1.69 3.48 0.26 2.98 0.00 -1.26 -1.79 105.19 110.55 1c1f n GLY 52 Ca 0.24 0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.54 1c1f n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c1f h ALA 53 N -0.84 1.00 -2.37 4.61 0.00 -2.02 -3.40 119.26 116.24 1c1f h ALA 53 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 1c1f h ALA 53 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.64 1c1f h ALA 53 CO 0.00 0.00 -0.01 -0.51 0.00 0.00 0.00 179.25 178.73 1c1f s ASP 54 N -5.68 6.32 -0.14 0.00 1.01 -0.74 -5.01 116.67 112.43 1c1f s ASP 54 Ca 0.02 -0.13 0.02 0.00 0.71 0.00 0.00 52.55 53.17 1c1f s ASP 54 Cb 0.08 -2.28 0.01 0.00 1.01 0.00 0.00 42.92 41.75 1c1f s ASP 54 CO 0.56 -0.56 -0.20 -1.10 0.21 0.00 0.00 175.17 174.07 1c1f s GLN 55 N 2.49 2.84 -1.20 8.23 -1.52 -1.26 -0.01 119.66 129.23 1c1f s GLN 55 Ca 0.19 -0.78 -0.25 0.00 -1.95 0.00 0.00 55.36 52.57 1c1f s GLN 55 Cb -0.15 -2.35 0.03 0.00 -0.22 0.00 0.00 33.01 30.32 1c1f s GLN 55 CO 0.15 -0.08 0.47 0.09 -0.25 0.00 0.00 175.29 175.67 1c1f n ASN 56 N 4.25 -2.60 -4.19 5.90 3.02 0.21 -4.97 115.26 116.87 1c1f n ASN 56 Ca -0.20 -1.21 -0.26 0.00 -0.03 0.00 0.00 54.58 52.89 1c1f n ASN 56 Cb 0.51 -1.46 -0.15 0.00 -0.61 0.00 0.00 39.78 38.07 1c1f n ASN 56 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1c1f s THR 57 N -3.80 1.50 -0.13 3.41 2.01 -0.32 -4.53 115.64 113.78 1c1f s THR 57 Ca 0.35 -0.83 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 1c1f s THR 57 Cb -0.19 -1.25 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1c1f s THR 57 CO 0.91 0.41 0.43 -0.63 -0.69 0.00 0.00 174.62 175.05 1c1f s ILE 58 N -0.46 5.22 -0.07 1.82 1.01 0.24 -0.35 121.20 128.60 1c1f s ILE 58 Ca 0.07 0.84 0.05 0.00 0.00 0.00 0.00 60.65 61.62 1c1f s ILE 58 Cb -0.07 -3.77 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 1c1f s ILE 58 CO -0.01 0.35 -0.24 -0.69 0.00 0.00 0.00 174.94 174.35 1c1f s VAL 59 N 0.54 1.98 -0.03 2.92 1.01 0.20 -1.17 120.40 125.85 1c1f s VAL 59 Ca 0.23 -1.01 0.07 0.00 0.00 0.00 0.00 61.98 61.27 1c1f s VAL 59 Cb -0.15 -1.69 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1c1f s VAL 59 CO 0.09 0.55 -0.24 -0.04 0.00 0.00 0.00 175.10 175.46 1c1f s MET 60 N -0.02 2.16 0.22 2.72 -1.94 0.72 -0.29 119.30 122.86 1c1f s MET 60 Ca -0.07 -0.86 -0.07 0.00 -1.71 0.00 0.00 55.69 52.98 1c1f s MET 60 Cb -0.14 -1.97 0.03 0.00 2.01 0.00 0.00 34.83 34.76 1c1f s MET 60 CO 0.05 0.45 0.42 -1.71 -0.01 0.00 0.00 175.02 174.21 1c1f n ASN 61 N 2.69 -1.20 -4.04 3.03 2.85 -0.61 -0.81 115.26 117.18 1c1f n ASN 61 Ca -0.17 -1.93 -0.10 0.00 -0.11 0.00 0.00 54.58 52.28 1c1f n ASN 61 Cb 0.52 2.03 -0.07 0.00 1.24 0.00 0.00 39.78 43.50 1c1f n ASN 61 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 1c1f s SER 62 N -2.18 0.01 -0.13 1.20 1.04 -1.26 -0.97 113.70 111.41 1c1f s SER 62 Ca 0.10 -1.03 -0.28 0.00 0.48 0.00 0.00 55.95 55.22 1c1f s SER 62 Cb -0.02 0.49 0.07 0.00 0.10 0.00 0.00 66.02 66.65 1c1f s SER 62 CO 0.08 -0.99 0.69 0.28 0.98 0.00 0.00 173.24 174.27 1c1f s THR 63 N -4.04 0.00 -0.84 2.02 -1.32 -0.89 -1.99 115.64 108.59 1c1f s THR 63 Ca 0.25 -0.01 0.14 0.00 -1.21 0.00 0.00 61.69 60.86 1c1f s THR 63 Cb 0.02 -0.99 -0.11 0.00 -1.51 0.00 0.00 72.50 69.91 1c1f s THR 63 CO 0.07 -0.00 0.64 0.18 -2.21 0.00 0.00 174.62 173.30 1c1f n LEU 64 N 1.61 0.89 -2.18 9.08 4.77 -1.26 -0.90 117.00 129.02 1c1f n LEU 64 Ca -0.17 -0.58 -0.11 0.00 -0.03 0.00 0.00 56.01 55.13 1c1f n LEU 64 Cb 0.56 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 1c1f n LEU 64 CO 0.16 0.20 0.11 0.29 -1.33 0.00 0.00 177.39 176.82 1c1f n LYS 65 N -0.99 2.49 0.00 3.23 5.02 -1.13 -4.60 118.16 122.17 1c1f n LYS 65 Ca 0.04 -3.70 0.00 0.00 -2.02 0.00 0.00 58.31 52.62 1c1f n LYS 65 Cb 0.24 -1.82 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1c1f n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1c1f n GLY 66 N -0.62 3.19 0.20 0.72 0.00 0.35 -1.78 105.19 107.25 1c1f n GLY 66 Ca 0.25 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 46.29 1c1f n GLY 66 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1c1f h ASP 67 N 1.69 0.00 -0.56 1.61 3.58 -1.89 -2.41 116.42 118.44 1c1f h ASP 67 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1c1f h ASP 67 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 1c1f h ASP 67 CO 0.00 0.00 0.00 0.59 -2.88 0.00 0.00 179.24 176.95 1c1f n ASN 68 N -2.61 4.22 -0.26 2.28 3.02 -0.73 -4.41 115.26 116.77 1c1f n ASN 68 Ca 0.01 -2.37 0.05 0.00 -0.03 0.00 0.00 54.58 52.24 1c1f n ASN 68 Cb 0.22 -0.50 0.06 0.00 -0.61 0.00 0.00 39.78 38.96 1c1f n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1c1f n GLY 69 N 0.90 2.45 3.67 7.41 0.00 -0.91 -4.88 105.19 113.83 1c1f n GLY 69 Ca 0.23 -0.52 -0.45 0.00 0.00 0.00 0.00 46.02 45.27 1c1f n GLY 69 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1c1f n TRP 70 N -0.68 2.26 -0.69 1.61 5.03 -1.25 -4.24 117.44 119.48 1c1f n TRP 70 Ca 0.07 0.33 0.00 0.00 3.03 0.00 0.00 57.50 60.93 1c1f n TRP 70 Cb 0.64 -2.51 0.00 0.00 -1.03 0.00 0.00 31.31 28.41 1c1f n TRP 70 CO 0.00 0.00 0.00 0.39 -0.03 0.00 0.00 177.69 178.05 1c1f n GLU 71 N 2.83 3.69 -2.09 -0.99 1.02 -0.84 -5.01 120.64 119.25 1c1f n GLU 71 Ca 0.15 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.86 1c1f n GLU 71 Cb 0.30 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.70 1c1f n GLU 71 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1c1f s THR 72 N 3.63 3.67 0.34 2.62 2.01 -1.26 -4.91 115.64 121.74 1c1f s THR 72 Ca 0.00 0.76 -0.27 0.00 0.31 0.00 0.00 61.69 62.49 1c1f s THR 72 Cb 0.00 -3.66 -0.09 0.00 0.01 0.00 0.00 72.50 68.76 1c1f s THR 72 CO 0.00 -0.25 1.12 -1.61 -0.69 0.00 0.00 174.62 173.19 1c1f s GLU 73 N 4.62 4.36 -0.07 4.92 2.02 -1.26 -4.71 118.70 128.58 1c1f s GLU 73 Ca 0.72 1.78 0.05 0.00 0.02 0.00 0.00 54.97 57.54 1c1f s GLU 73 Cb -0.26 -2.90 -0.01 0.00 0.10 0.00 0.00 34.13 31.05 1c1f s GLU 73 CO 0.29 -0.03 -0.23 -0.65 0.02 0.00 0.00 175.26 174.66 1c1f s GLN 74 N -1.93 2.69 0.15 1.61 -0.21 0.01 -4.97 119.66 117.01 1c1f s GLN 74 Ca 0.51 -0.86 0.09 0.00 0.02 0.00 0.00 55.36 55.12 1c1f s GLN 74 Cb -0.30 -2.25 -0.04 0.00 1.00 0.00 0.00 33.01 31.42 1c1f s GLN 74 CO 0.38 0.36 -0.20 1.03 -2.12 0.00 0.00 175.29 174.74 1c1f s ARG 75 N -0.11 1.26 -0.00 2.91 0.52 -1.26 -0.20 118.95 122.07 1c1f s ARG 75 Ca -0.05 -1.34 0.01 0.00 -0.52 0.00 0.00 55.73 53.83 1c1f s ARG 75 Cb -0.14 -1.45 0.00 0.00 0.52 0.00 0.00 34.95 33.88 1c1f s ARG 75 CO 0.04 0.31 -0.03 0.45 0.02 0.00 0.00 175.30 176.10 1c1f s SER 76 N -2.39 0.33 0.00 0.23 0.15 -0.32 -4.99 113.70 106.71 1c1f s SER 76 Ca 0.13 -0.05 0.20 0.00 0.70 0.00 0.00 55.95 56.94 1c1f s SER 76 Cb -0.08 -0.05 0.51 0.00 -1.71 0.00 0.00 66.02 64.69 1c1f s SER 76 CO 0.06 0.02 1.43 0.35 1.20 0.00 0.00 173.24 176.30 1c1f n THR 77 N 3.12 0.81 -1.85 6.45 -2.24 -1.26 -0.60 114.28 118.71 1c1f n THR 77 Ca -0.14 -0.91 -0.42 0.00 -2.27 0.00 0.00 64.05 60.31 1c1f n THR 77 Cb 0.58 0.68 0.00 0.00 -2.10 0.00 0.00 70.33 69.49 1c1f n THR 77 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1c1f n ASN 78 N 1.39 4.03 -4.57 3.42 2.85 -1.26 -4.92 115.26 116.20 1c1f n ASN 78 Ca 0.20 -2.86 -0.40 0.00 -0.11 0.00 0.00 54.58 51.42 1c1f n ASN 78 Cb 0.58 -1.66 -0.09 0.00 1.24 0.00 0.00 39.78 39.84 1c1f n ASN 78 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1c1f s PHE 79 N 3.22 3.22 -0.09 1.20 2.19 -1.26 -4.56 117.98 121.91 1c1f s PHE 79 Ca 0.48 0.17 0.02 0.00 0.33 0.00 0.00 56.93 57.92 1c1f s PHE 79 Cb 0.13 -2.60 -0.01 0.00 -1.31 0.00 0.00 43.02 39.22 1c1f s PHE 79 CO -0.07 -0.32 0.11 0.25 1.83 0.00 0.00 175.22 177.03 1c1f n THR 80 N 5.17 0.00 -2.14 0.12 -2.24 -1.26 -5.05 114.28 108.89 1c1f n THR 80 Ca -0.09 -0.47 -0.32 0.00 -2.27 0.00 0.00 64.05 60.90 1c1f n THR 80 Cb 0.50 1.00 -0.01 0.00 -2.10 0.00 0.00 70.33 69.72 1c1f n THR 80 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1c1f s LEU 81 N -1.91 3.44 0.07 3.22 1.43 -1.26 -5.00 118.68 118.68 1c1f s LEU 81 Ca 0.01 1.53 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1c1f s LEU 81 Cb 0.01 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.71 1c1f s LEU 81 CO 0.06 -0.77 -0.16 -0.44 0.23 0.00 0.00 176.35 175.27 1c1f s SER 82 N -3.51 1.94 0.43 2.29 0.01 -1.26 -5.12 113.70 108.48 1c1f s SER 82 Ca 0.58 -0.61 -0.24 0.00 1.31 0.00 0.00 55.95 56.99 1c1f s SER 82 Cb -0.11 -0.09 -0.10 0.00 0.21 0.00 0.00 66.02 65.93 1c1f s SER 82 CO 0.41 -0.01 1.05 0.00 0.41 0.00 0.00 173.24 175.10 1c1f n ALA 83 N 1.34 0.37 -0.82 1.44 0.00 -1.26 -2.57 120.51 119.02 1c1f n ALA 83 Ca -0.20 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1c1f n ALA 83 Cb 0.54 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.88 1c1f n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1c1f n GLY 84 N 1.13 0.62 3.89 0.00 0.00 -0.54 -4.91 105.19 105.37 1c1f n GLY 84 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 1c1f n GLY 84 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1c1f s GLN 85 N -0.38 3.06 0.28 1.61 -0.44 -1.06 -4.68 119.66 118.05 1c1f s GLN 85 Ca 0.00 -1.00 -0.29 0.00 -2.50 0.00 0.00 55.36 51.56 1c1f s GLN 85 Cb 0.00 -2.67 -0.10 0.00 -1.64 0.00 0.00 33.01 28.60 1c1f s GLN 85 CO 0.00 0.32 1.18 -0.47 0.50 0.00 0.00 175.29 176.82 1c1f s TYR 86 N -2.12 3.39 0.18 1.67 5.04 -1.26 -0.80 117.35 123.46 1c1f s TYR 86 Ca 0.36 1.57 0.03 0.00 -2.44 0.00 0.00 57.07 56.58 1c1f s TYR 86 Cb -0.08 -3.43 -0.05 0.00 0.35 0.00 0.00 41.96 38.75 1c1f s TYR 86 CO 0.27 -1.06 -0.02 -0.59 -1.34 0.00 0.00 175.55 172.81 1c1f s PHE 87 N -0.98 1.31 -0.13 4.97 -0.71 0.22 -4.94 117.98 117.72 1c1f s PHE 87 Ca 0.47 -0.94 -0.09 0.00 -1.04 0.00 0.00 56.93 55.34 1c1f s PHE 87 Cb -0.35 -0.74 0.05 0.00 -1.21 0.00 0.00 43.02 40.77 1c1f s PHE 87 CO 0.44 -0.10 0.33 -1.21 -1.34 0.00 0.00 175.22 173.33 1c1f s GLU 88 N -3.87 0.33 -0.05 1.99 2.02 -1.26 -1.87 118.70 115.99 1c1f s GLU 88 Ca 0.23 0.60 0.02 0.00 0.02 0.00 0.00 54.97 55.84 1c1f s GLU 88 Cb 0.05 0.01 0.01 0.00 0.10 0.00 0.00 34.13 34.30 1c1f s GLU 88 CO 0.04 -0.12 -0.11 0.42 0.02 0.00 0.00 175.26 175.51 1c1f s ILE 89 N 0.96 1.02 -0.14 -1.63 1.01 -0.50 -1.29 121.20 120.64 1c1f s ILE 89 Ca -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 60.65 60.14 1c1f s ILE 89 Cb -0.07 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.44 1c1f s ILE 89 CO -0.07 0.32 -0.09 -0.89 0.00 0.00 0.00 174.94 174.22 1c1f s THR 90 N 0.57 3.44 0.00 2.92 2.01 0.40 -1.09 115.64 123.89 1c1f s THR 90 Ca -0.12 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.42 1c1f s THR 90 Cb -0.14 -2.48 -0.03 0.00 0.01 0.00 0.00 72.50 69.86 1c1f s THR 90 CO 0.03 0.51 -0.17 -0.76 -0.69 0.00 0.00 174.62 173.53 1c1f s LEU 91 N 0.38 2.60 0.26 4.42 1.43 0.41 -0.27 118.68 127.90 1c1f s LEU 91 Ca -0.08 -0.35 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 1c1f s LEU 91 Cb -0.15 -1.52 -0.01 0.00 0.03 0.00 0.00 46.19 44.54 1c1f s LEU 91 CO 0.04 0.29 0.41 -0.94 0.23 0.00 0.00 176.35 176.39 1c1f s SER 92 N -1.12 0.12 0.04 2.29 1.04 -0.83 -0.48 113.70 114.76 1c1f s SER 92 Ca 0.13 -1.11 -0.27 0.00 0.48 0.00 0.00 55.95 55.17 1c1f s SER 92 Cb -0.10 0.56 0.09 0.00 0.10 0.00 0.00 66.02 66.67 1c1f s SER 92 CO 0.03 -1.11 0.88 -0.72 0.98 0.00 0.00 173.24 173.29 1c1f s TYR 93 N -3.87 -0.32 0.12 5.02 1.13 -1.26 -0.59 117.35 117.57 1c1f s TYR 93 Ca 0.27 0.14 0.01 0.00 -1.41 0.00 0.00 57.07 56.08 1c1f s TYR 93 Cb 0.01 0.56 -0.00 0.00 -1.10 0.00 0.00 41.96 41.43 1c1f s TYR 93 CO 0.11 -0.64 0.02 -0.40 -2.51 0.00 0.00 175.55 172.14 1c1f n ASP 94 N -0.30 1.51 0.29 -0.18 5.68 0.01 -2.63 116.55 120.93 1c1f n ASP 94 Ca -0.09 -1.57 0.16 0.00 -0.50 0.00 0.00 54.79 52.79 1c1f n ASP 94 Cb 0.62 0.21 0.87 0.00 -1.14 0.00 0.00 41.12 41.68 1c1f n ASP 94 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 1c1f h ILE 95 N 1.14 0.39 0.07 2.12 6.09 -1.96 -2.95 117.51 122.42 1c1f h ILE 95 Ca -0.09 -0.29 -0.35 0.00 -1.37 0.00 0.00 64.86 62.76 1c1f h ILE 95 Cb 0.32 1.20 -0.03 0.00 0.47 0.00 0.00 36.82 38.78 1c1f h ILE 95 CO 0.15 0.05 -1.95 0.59 -3.07 0.00 0.00 178.15 173.92 1c1f n ASN 96 N -3.53 2.04 -3.69 2.19 3.02 -1.26 -4.51 115.26 109.52 1c1f n ASN 96 Ca -0.02 0.21 -0.10 0.00 -0.03 0.00 0.00 54.58 54.64 1c1f n ASN 96 Cb 0.17 -0.82 -0.04 0.00 -0.61 0.00 0.00 39.78 38.48 1c1f n ASN 96 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1c1f s LYS 97 N -2.51 1.20 0.04 3.52 -2.85 -1.11 -0.73 119.74 117.30 1c1f s LYS 97 Ca -0.27 -0.79 -0.10 0.00 -1.00 0.00 0.00 55.97 53.82 1c1f s LYS 97 Cb 0.07 0.49 -0.05 0.00 -2.06 0.00 0.00 37.83 36.28 1c1f s LYS 97 CO 0.69 -0.49 0.36 -0.06 0.10 0.00 0.00 175.35 175.95 1c1f s PHE 98 N -3.84 3.61 -0.15 1.78 0.40 -0.03 -0.81 117.98 118.94 1c1f s PHE 98 Ca 0.06 0.76 0.01 0.00 -0.60 0.00 0.00 56.93 57.16 1c1f s PHE 98 Cb 0.01 -2.13 0.02 0.00 0.51 0.00 0.00 43.02 41.43 1c1f s PHE 98 CO -0.08 0.57 -0.17 0.71 0.70 0.00 0.00 175.22 176.96 1c1f s TYR 99 N -1.30 2.39 -0.26 0.36 2.02 0.24 -1.91 117.35 118.89 1c1f s TYR 99 Ca 0.29 -1.34 0.00 0.00 -0.37 0.00 0.00 57.07 55.65 1c1f s TYR 99 Cb -0.14 -1.70 0.04 0.00 -0.40 0.00 0.00 41.96 39.76 1c1f s TYR 99 CO 0.16 -0.69 -0.08 0.42 -1.57 0.00 0.00 175.55 173.79 1c1f s ILE 100 N 1.32 2.58 -0.41 2.71 1.01 0.34 -1.96 121.20 126.78 1c1f s ILE 100 Ca 0.03 -1.32 -0.06 0.00 0.00 0.00 0.00 60.65 59.30 1c1f s ILE 100 Cb -0.13 -2.40 0.09 0.00 0.01 0.00 0.00 42.46 40.03 1c1f s ILE 100 CO -0.10 0.08 0.22 -0.62 0.00 0.00 0.00 174.94 174.52 1c1f s ASP 101 N 1.23 5.42 -0.12 3.58 -1.08 0.63 -0.49 116.67 125.84 1c1f s ASP 101 Ca -0.04 -1.73 -0.23 0.00 -0.52 0.00 0.00 52.55 50.04 1c1f s ASP 101 Cb -0.18 -1.90 -0.03 0.00 -1.46 0.00 0.00 42.92 39.35 1c1f s ASP 101 CO -0.05 -0.53 0.70 -0.63 0.52 0.00 0.00 175.17 175.18 1c1f s ILE 102 N 1.29 5.02 0.19 4.11 1.01 -0.62 -0.46 121.20 131.75 1c1f s ILE 102 Ca 0.04 1.39 -0.32 0.00 0.00 0.00 0.00 60.65 61.76 1c1f s ILE 102 Cb -0.23 -4.02 -0.11 0.00 0.01 0.00 0.00 42.46 38.11 1c1f s ILE 102 CO -0.01 0.18 1.65 -0.22 0.00 0.00 0.00 174.94 176.54 1c1f s LEU 103 N 1.32 4.37 -1.45 2.97 2.96 -0.41 -1.58 118.68 126.86 1c1f s LEU 103 Ca 0.35 2.77 -0.08 0.00 -0.22 0.00 0.00 54.13 56.95 1c1f s LEU 103 Cb -0.17 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 42.96 1c1f s LEU 103 CO 0.15 -0.91 0.67 0.47 -1.32 0.00 0.00 176.35 175.41 1c1f n ASP 104 N 3.90 -5.24 -0.19 3.68 8.00 -1.26 -4.85 116.55 120.59 1c1f n ASP 104 Ca 0.15 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.24 1c1f n ASP 104 Cb 0.37 -4.24 0.00 0.00 -0.02 0.00 0.00 41.12 37.23 1c1f n ASP 104 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1c1f n GLY 105 N -1.48 3.10 3.67 0.44 0.00 -0.61 -4.92 105.19 105.39 1c1f n GLY 105 Ca -0.05 -0.89 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 1c1f n GLY 105 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1c1f s PRO 106 N 0.44 0.48 -0.17 1.61 0.04 -1.26 -4.63 135.00 131.51 1c1f s PRO 106 Ca 0.00 0.64 0.00 0.00 0.04 0.00 0.00 61.00 61.69 1c1f s PRO 106 Cb 0.00 -1.73 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1c1f s PRO 106 CO 0.00 -2.73 -0.17 -0.80 0.04 0.00 0.00 177.00 173.34 1c1f s ASN 107 N -3.33 3.47 0.23 6.66 -0.87 -1.26 -1.58 114.94 118.26 1c1f s ASN 107 Ca 0.65 -0.54 0.10 0.00 -1.57 0.00 0.00 52.86 51.50 1c1f s ASN 107 Cb -0.19 -1.54 -0.05 0.00 -0.02 0.00 0.00 41.25 39.45 1c1f s ASN 107 CO 0.58 0.04 -0.18 -0.76 -2.57 0.00 0.00 177.10 174.22 1c1f s LEU 108 N 1.06 2.56 0.05 0.60 1.43 0.36 -4.97 118.68 119.77 1c1f s LEU 108 Ca -0.01 -1.00 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 1c1f s LEU 108 Cb -0.14 -0.90 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 1c1f s LEU 108 CO -0.05 -0.05 -0.12 -1.61 0.23 0.00 0.00 176.35 174.74 1c1f s GLU 109 N -3.47 0.76 -0.05 1.70 2.02 -1.26 -0.51 118.70 117.89 1c1f s GLU 109 Ca 0.25 -0.82 -0.07 0.00 0.02 0.00 0.00 54.97 54.36 1c1f s GLU 109 Cb -0.03 -0.70 0.01 0.00 0.10 0.00 0.00 34.13 33.51 1c1f s GLU 109 CO 0.11 0.16 0.17 0.12 0.02 0.00 0.00 175.26 175.84 1c1f s PHE 110 N -1.13 -0.13 0.48 1.61 5.36 -0.80 -4.99 117.98 118.37 1c1f s PHE 110 Ca -0.03 0.32 -0.24 0.00 -0.96 0.00 0.00 56.93 56.02 1c1f s PHE 110 Cb -0.09 0.04 -0.07 0.00 -0.34 0.00 0.00 43.02 42.55 1c1f s PHE 110 CO 0.01 -0.15 1.43 -2.14 -1.46 0.00 0.00 175.22 172.91 1c1f s PRO 111 N -0.32 3.53 -1.12 10.12 0.02 -1.26 -0.85 135.00 145.13 1c1f s PRO 111 Ca -0.04 2.41 -0.16 0.00 0.02 0.00 0.00 61.00 63.23 1c1f s PRO 111 Cb -0.03 -2.56 0.15 0.00 0.02 0.00 0.00 34.50 32.08 1c1f s PRO 111 CO 0.01 -0.94 1.36 1.21 -0.33 0.00 0.00 177.00 178.31 1c1f s ASN 112 N -0.58 6.90 0.56 2.53 3.84 0.09 -4.64 114.94 123.63 1c1f s ASN 112 Ca 0.64 -2.61 0.29 0.00 0.21 0.00 0.00 52.86 51.39 1c1f s ASN 112 Cb -0.44 -2.42 1.65 0.00 -0.55 0.00 0.00 41.25 39.49 1c1f s ASN 112 CO 0.55 -0.90 2.17 0.03 -2.79 0.00 0.00 177.10 176.16 1c1f h ARG 113 N 7.80 0.00 -0.22 0.43 3.08 -1.86 -2.47 114.38 121.14 1c1f h ARG 113 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1c1f h ARG 113 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 1c1f h ARG 113 CO 1.22 0.06 0.00 0.66 -1.07 0.00 0.00 179.97 180.84 1c1f n TYR 114 N -3.74 0.52 -3.97 3.04 4.01 -1.26 -4.98 117.16 110.77 1c1f n TYR 114 Ca -0.02 -0.72 -0.27 0.00 -0.16 0.00 0.00 57.90 56.73 1c1f n TYR 114 Cb 0.16 -0.16 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 1c1f n TYR 114 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1c1f n SER 115 N -0.29 -1.44 -4.81 7.72 7.64 -0.93 -4.94 113.62 116.57 1c1f n SER 115 Ca 0.14 -0.96 -0.34 0.00 1.01 0.00 0.00 58.87 58.72 1c1f n SER 115 Cb 0.61 -3.19 -0.07 0.00 -1.01 0.00 0.00 64.21 60.55 1c1f n SER 115 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 1c1f s LYS 116 N -6.57 4.30 0.00 1.43 -0.14 -1.26 -4.96 119.74 112.54 1c1f s LYS 116 Ca 0.21 1.10 0.00 0.00 -1.36 0.00 0.00 55.97 55.93 1c1f s LYS 116 Cb -0.11 -2.43 0.00 0.00 -1.68 0.00 0.00 37.83 33.60 1c1f s LYS 116 CO 0.88 0.11 0.38 0.39 -0.76 0.00 0.00 175.35 176.35 1c1f n GLU 117 N -0.18 -0.37 -3.72 1.68 1.02 -1.26 -4.57 120.64 113.24 1c1f n GLU 117 Ca 0.05 -0.41 -0.12 0.00 -0.02 0.00 0.00 57.16 56.66 1c1f n GLU 117 Cb 0.53 -0.82 -0.11 0.00 -0.02 0.00 0.00 31.44 31.01 1c1f n GLU 117 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1c1f s PHE 118 N -0.07 -0.48 -0.24 -0.32 5.36 -1.26 -3.11 117.98 117.85 1c1f s PHE 118 Ca 0.00 1.09 0.01 0.00 -0.96 0.00 0.00 56.93 57.07 1c1f s PHE 118 Cb 0.00 0.18 0.06 0.00 -0.34 0.00 0.00 43.02 42.93 1c1f s PHE 118 CO 0.00 -0.27 -0.03 -0.51 -1.46 0.00 0.00 175.22 172.95 1c1f s LEU 119 N 0.88 2.55 0.10 6.12 1.43 -0.98 -4.97 118.68 123.81 1c1f s LEU 119 Ca -0.06 -1.23 0.27 0.00 -1.03 0.00 0.00 54.13 52.09 1c1f s LEU 119 Cb -0.06 -1.14 1.02 0.00 0.03 0.00 0.00 46.19 46.04 1c1f s LEU 119 CO -0.07 -0.26 1.84 -0.81 0.23 0.00 0.00 176.35 177.28 1c1f n PRO 120 N 4.69 0.12 -4.41 1.29 -0.04 -1.09 -4.46 135.00 131.10 1c1f n PRO 120 Ca -0.10 0.12 -0.19 0.00 -0.04 0.00 0.00 63.50 63.28 1c1f n PRO 120 Cb 0.44 -1.65 -0.15 0.00 -0.04 0.00 0.00 33.50 32.11 1c1f n PRO 120 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1c1f s PHE 121 N -3.05 0.90 -0.03 0.54 2.19 -0.32 -5.02 117.98 113.19 1c1f s PHE 121 Ca 0.12 -0.18 0.01 0.00 0.33 0.00 0.00 56.93 57.21 1c1f s PHE 121 Cb 0.15 -0.57 0.01 0.00 -1.31 0.00 0.00 43.02 41.30 1c1f s PHE 121 CO 0.54 -0.01 -0.03 -1.17 1.83 0.00 0.00 175.22 176.38 1c1f s LEU 122 N -0.29 1.52 -0.01 6.12 2.96 -1.26 -1.72 118.68 126.01 1c1f s LEU 122 Ca 0.04 -0.08 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1c1f s LEU 122 Cb -0.04 -0.31 0.00 0.00 0.50 0.00 0.00 46.19 46.34 1c1f s LEU 122 CO -0.00 -0.03 0.15 -0.55 -1.32 0.00 0.00 176.35 174.60 1c1f s SER 123 N 0.58 -0.01 -0.07 3.68 0.15 -0.11 -5.01 113.70 112.91 1c1f s SER 123 Ca -0.07 -0.13 -0.02 0.00 0.70 0.00 0.00 55.95 56.43 1c1f s SER 123 Cb -0.10 0.23 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 1c1f s SER 123 CO -0.00 -0.34 0.04 -0.22 1.20 0.00 0.00 173.24 173.92 1c1f s LEU 124 N -1.20 3.77 0.12 3.45 2.96 -1.26 -0.35 118.68 126.17 1c1f s LEU 124 Ca -0.13 0.18 0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1c1f s LEU 124 Cb -0.07 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.61 1c1f s LEU 124 CO 0.02 0.35 -0.11 0.00 -1.32 0.00 0.00 176.35 175.28 1c1f s ALA 125 N -0.99 1.32 0.00 5.97 0.00 -0.00 -4.97 121.76 123.08 1c1f s ALA 125 Ca 0.16 -1.29 0.00 0.00 0.00 0.00 0.00 51.96 50.83 1c1f s ALA 125 Cb -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.00 1c1f s ALA 125 CO 0.06 -0.00 0.00 0.41 0.00 0.00 0.00 175.76 176.23 1c1f n GLY 126 N 0.39 -0.14 2.48 0.00 0.00 -1.26 -0.24 105.19 106.41 1c1f n GLY 126 Ca -0.15 -1.57 -0.38 0.00 0.00 0.00 0.00 46.02 43.92 1c1f n GLY 126 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c1f n ASP 127 N 0.36 7.79 -3.91 1.61 8.00 0.09 -4.82 116.55 125.67 1c1f n ASP 127 Ca 0.00 -3.16 -0.09 0.00 0.71 0.00 0.00 54.79 52.26 1c1f n ASP 127 Cb 0.00 -1.34 -0.04 0.00 -0.02 0.00 0.00 41.12 39.72 1c1f n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c1f s ALA 128 N -1.27 -0.60 -0.08 2.24 0.00 -1.26 -1.48 121.76 119.31 1c1f s ALA 128 Ca 0.55 -0.61 0.02 0.00 0.00 0.00 0.00 51.96 51.91 1c1f s ALA 128 Cb 0.22 0.97 0.02 0.00 0.00 0.00 0.00 23.12 24.32 1c1f s ALA 128 CO -0.12 -0.88 -0.12 0.50 0.00 0.00 0.00 175.76 175.15 1c1f s ARG 129 N -3.96 1.75 0.03 0.00 3.52 0.34 -4.91 118.95 115.72 1c1f s ARG 129 Ca 0.17 -0.41 -0.30 0.00 -0.13 0.00 0.00 55.73 55.06 1c1f s ARG 129 Cb -0.02 -1.51 -0.04 0.00 -1.56 0.00 0.00 34.95 31.82 1c1f s ARG 129 CO 0.06 -0.03 0.98 -1.17 -0.81 0.00 0.00 175.30 174.33 1c1f s LEU 130 N 0.88 4.40 0.00 -0.88 2.96 -1.26 -1.65 118.68 123.13 1c1f s LEU 130 Ca -0.10 1.70 0.00 0.00 -0.22 0.00 0.00 54.13 55.51 1c1f s LEU 130 Cb -0.15 -3.57 0.00 0.00 0.50 0.00 0.00 46.19 42.96 1c1f s LEU 130 CO 0.01 -0.22 0.00 0.35 -1.32 0.00 0.00 176.35 175.17 1c1f n THR 131 N 3.64 0.00 -3.83 3.68 -2.24 -0.23 -4.97 114.28 110.34 1c1f n THR 131 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 1c1f n THR 131 Cb 0.50 0.20 -0.11 0.00 -2.10 0.00 0.00 70.33 68.83 1c1f n THR 131 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 1c1f s LEU 132 N -2.43 1.32 -0.06 3.22 0.05 -0.89 -4.99 118.68 114.90 1c1f s LEU 132 Ca 0.00 0.09 0.01 0.00 0.05 0.00 0.00 54.13 54.27 1c1f s LEU 132 Cb 0.00 0.77 0.02 0.00 -2.05 0.00 0.00 46.19 44.93 1c1f s LEU 132 CO 0.00 -0.26 -0.05 -0.69 -0.55 0.00 0.00 176.35 174.80 1c1f s VAL 133 N -0.77 0.65 -0.04 1.48 1.01 -1.26 -1.10 120.40 120.37 1c1f s VAL 133 Ca -0.09 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.78 1c1f s VAL 133 Cb -0.05 -0.67 -0.00 0.00 0.00 0.00 0.00 36.38 35.66 1c1f s VAL 133 CO 0.01 0.26 -0.17 -0.75 0.00 0.00 0.00 175.10 174.45 1c1f s LYS 134 N 1.07 1.74 -0.05 2.72 2.20 0.13 -4.99 119.74 122.57 1c1f s LYS 134 Ca -0.08 -0.60 0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1c1f s LYS 134 Cb -0.14 -1.53 0.02 0.00 -1.51 0.00 0.00 37.83 34.67 1c1f s LYS 134 CO -0.01 0.25 -0.07 -1.17 -0.36 0.00 0.00 175.35 173.99 1c1f s LEU 135 N 0.01 1.41 0.00 5.43 2.96 -1.26 -0.58 118.68 126.66 1c1f s LEU 135 Ca -0.03 -0.19 0.00 0.00 -0.22 0.00 0.00 54.13 53.69 1c1f s LEU 135 Cb -0.11 -0.58 0.00 0.00 0.50 0.00 0.00 46.19 46.00 1c1f s LEU 135 CO 0.02 -0.03 0.10 -0.62 -1.32 0.00 0.00 176.35 174.50