#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h03 s SER 6 N 0.00 3.50 0.65 -5.58 0.15 -1.26 -0.56 113.70 110.60 1h03 s SER 6 Ca 0.00 -0.65 -0.07 0.00 0.70 0.00 0.00 55.95 55.93 1h03 s SER 6 Cb 0.00 -0.35 0.03 0.00 -1.71 0.00 0.00 66.02 63.99 1h03 s SER 6 CO 0.00 0.19 0.98 0.00 1.20 0.00 0.00 173.24 175.61 1h03 s PRO 8 N -5.15 2.46 0.22 0.00 0.02 -1.26 -4.89 135.00 126.41 1h03 s PRO 8 Ca 0.57 1.42 -0.32 0.00 0.02 0.00 0.00 61.00 62.69 1h03 s PRO 8 Cb -0.11 -1.91 -0.13 0.00 0.02 0.00 0.00 34.50 32.38 1h03 s PRO 8 CO 0.46 -1.52 1.60 -1.71 -0.33 0.00 0.00 177.00 175.50 1h03 n ASN 9 N -2.80 3.52 0.13 2.53 4.05 -1.26 -4.86 115.26 116.57 1h03 n ASN 9 Ca 0.11 1.10 -0.01 0.00 0.45 0.00 0.00 54.58 56.23 1h03 n ASN 9 Cb 0.52 -1.52 0.26 0.00 1.23 0.00 0.00 39.78 40.27 1h03 n ASN 9 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 177.26 173.56 1h03 h PRO 10 N 5.59 0.15 0.00 1.20 0.11 -2.00 -3.49 132.00 133.56 1h03 h PRO 10 Ca -0.45 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1h03 h PRO 10 Cb 1.23 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1h03 h PRO 10 CO 0.86 0.54 0.00 0.41 -0.21 0.00 0.00 178.00 179.60 1h03 n GLY 11 N -0.24 0.64 3.21 -0.55 0.00 -1.26 -4.96 105.19 102.02 1h03 n GLY 11 Ca -0.02 -1.16 -0.09 0.00 0.00 0.00 0.00 46.02 44.76 1h03 n GLY 11 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1h03 s GLU 12 N 0.00 0.88 -0.18 1.61 2.02 -1.26 -4.95 118.70 116.83 1h03 s GLU 12 Ca 0.00 -1.11 0.01 0.00 0.02 0.00 0.00 54.97 53.89 1h03 s GLU 12 Cb 0.00 0.31 0.02 0.00 0.10 0.00 0.00 34.13 34.56 1h03 s GLU 12 CO 0.00 -0.27 -0.19 0.42 0.02 0.00 0.00 175.26 175.24 1h03 s ILE 13 N -3.92 2.16 0.22 -1.63 1.01 -1.26 -5.09 121.20 112.69 1h03 s ILE 13 Ca 0.10 -0.91 -0.31 0.00 0.00 0.00 0.00 60.65 59.53 1h03 s ILE 13 Cb 0.05 -1.90 -0.10 0.00 0.01 0.00 0.00 42.46 40.52 1h03 s ILE 13 CO -0.07 0.53 1.50 -0.60 0.00 0.00 0.00 174.94 176.31 1h03 s ARG 14 N 1.22 4.23 -0.71 2.79 3.52 -1.26 -1.47 118.95 127.27 1h03 s ARG 14 Ca 0.03 2.36 0.00 0.00 -0.13 0.00 0.00 55.73 57.99 1h03 s ARG 14 Cb -0.13 -3.12 0.00 0.00 -1.56 0.00 0.00 34.95 30.14 1h03 s ARG 14 CO -0.11 -0.51 0.00 0.09 -0.81 0.00 0.00 175.30 173.96 1h03 n ASN 15 N 2.92 -4.36 -0.77 -2.12 3.02 -1.26 -4.21 115.26 108.48 1h03 n ASN 15 Ca 0.10 0.17 0.00 0.00 -0.03 0.00 0.00 54.58 54.81 1h03 n ASN 15 Cb 0.39 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.11 1h03 n ASN 15 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h03 n GLY 16 N -1.43 3.81 3.10 7.41 0.00 -0.54 -0.72 105.19 116.81 1h03 n GLY 16 Ca -0.07 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.39 1h03 n GLY 16 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1h03 s GLN 17 N -1.32 0.47 -0.15 1.61 0.74 0.07 -4.61 119.66 116.47 1h03 s GLN 17 Ca 0.00 -0.41 0.01 0.00 0.05 0.00 0.00 55.36 55.01 1h03 s GLN 17 Cb 0.00 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.32 1h03 s GLN 17 CO 0.00 -0.11 -0.17 0.42 -0.55 0.00 0.00 175.29 174.88 1h03 s ILE 18 N -1.38 1.78 -0.19 -2.34 1.01 -1.26 -2.03 121.20 116.79 1h03 s ILE 18 Ca -0.15 -0.78 -0.15 0.00 0.00 0.00 0.00 60.65 59.57 1h03 s ILE 18 Cb -0.08 -1.63 -0.04 0.00 0.01 0.00 0.00 42.46 40.73 1h03 s ILE 18 CO 0.01 0.50 0.35 -1.81 0.00 0.00 0.00 174.94 173.98 1h03 s ASP 19 N 1.21 6.41 -0.63 3.58 1.01 0.52 -4.96 116.67 123.80 1h03 s ASP 19 Ca 0.00 0.48 0.05 0.00 0.71 0.00 0.00 52.55 53.79 1h03 s ASP 19 Cb -0.14 -2.21 0.17 0.00 1.01 0.00 0.00 42.92 41.76 1h03 s ASP 19 CO -0.08 -0.01 0.47 0.52 0.21 0.00 0.00 175.17 176.28 1h03 n VAL 20 N 4.11 0.93 0.19 -1.27 0.31 -1.26 -1.89 118.33 119.45 1h03 n VAL 20 Ca -0.10 -4.52 0.07 0.00 -0.01 0.00 0.00 64.34 59.79 1h03 n VAL 20 Cb 0.51 -2.05 0.23 0.00 -0.91 0.00 0.00 33.84 31.62 1h03 n VAL 20 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 1h03 h PRO 21 N 5.37 0.00 -0.19 5.55 0.13 -1.96 -3.34 132.00 137.55 1h03 h PRO 21 Ca 0.18 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 65.15 1h03 h PRO 21 Cb 0.79 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.74 1h03 h PRO 21 CO 0.63 0.29 -0.69 0.41 -0.23 0.00 0.00 178.00 178.42 1h03 n GLY 22 N 0.78 4.63 7.00 1.56 0.00 -1.26 -5.11 105.19 112.78 1h03 n GLY 22 Ca 0.02 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.51 1h03 n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h03 n GLY 23 N -0.76 -1.72 0.16 -0.02 0.00 -1.26 -4.58 105.19 97.01 1h03 n GLY 23 Ca 0.22 -1.30 0.09 0.00 0.00 0.00 0.00 46.02 45.03 1h03 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1h03 n ILE 24 N -0.52 1.82 -2.09 -0.61 -5.35 -1.26 -4.71 119.36 106.64 1h03 n ILE 24 Ca 0.00 -2.26 -0.27 0.00 -0.27 0.00 0.00 62.75 59.95 1h03 n ILE 24 Cb 0.00 -0.19 0.07 0.00 -1.74 0.00 0.00 39.64 37.78 1h03 n ILE 24 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1h03 s LEU 25 N -2.76 2.71 0.20 7.28 1.43 -1.26 -0.78 118.68 125.50 1h03 s LEU 25 Ca 0.31 0.59 -0.32 0.00 -1.03 0.00 0.00 54.13 53.68 1h03 s LEU 25 Cb 0.28 -3.19 -0.15 0.00 0.03 0.00 0.00 46.19 43.16 1h03 s LEU 25 CO 0.02 -1.70 1.13 0.33 0.23 0.00 0.00 176.35 176.36 1h03 n PHE 26 N -3.06 1.31 0.00 0.29 7.35 0.27 -1.54 117.46 122.08 1h03 n PHE 26 Ca 0.08 0.68 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 1h03 n PHE 26 Cb 0.61 -2.28 0.00 0.00 0.35 0.00 0.00 39.48 38.16 1h03 n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h03 n GLY 27 N 1.85 1.90 3.84 7.13 0.00 0.49 -5.00 105.19 115.40 1h03 n GLY 27 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1h03 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1h03 s ALA 28 N -2.37 3.06 -0.05 4.61 0.00 -0.59 -4.78 121.76 121.64 1h03 s ALA 28 Ca 0.00 0.22 0.06 0.00 0.00 0.00 0.00 51.96 52.25 1h03 s ALA 28 Cb 0.00 -3.13 -0.01 0.00 0.00 0.00 0.00 23.12 19.98 1h03 s ALA 28 CO 0.00 -0.18 -0.25 0.99 0.00 0.00 0.00 175.76 176.32 1h03 s THR 29 N -2.54 2.13 0.18 0.00 2.01 -1.26 -0.91 115.64 115.24 1h03 s THR 29 Ca 0.60 -1.05 0.10 0.00 0.31 0.00 0.00 61.69 61.64 1h03 s THR 29 Cb -0.10 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.61 1h03 s THR 29 CO 0.28 0.57 -0.18 0.27 -0.69 0.00 0.00 174.62 174.87 1h03 s ILE 30 N -0.32 2.70 0.08 1.82 -4.36 0.12 -4.52 121.20 116.72 1h03 s ILE 30 Ca 0.01 -1.85 0.07 0.00 -0.26 0.00 0.00 60.65 58.63 1h03 s ILE 30 Cb -0.12 -2.30 -0.03 0.00 1.25 0.00 0.00 42.46 41.25 1h03 s ILE 30 CO 0.02 -0.09 -0.19 -0.44 0.24 0.00 0.00 174.94 174.48 1h03 s SER 31 N -2.67 2.29 0.09 4.36 0.01 -0.79 -1.07 113.70 115.91 1h03 s SER 31 Ca 0.22 -0.61 0.09 0.00 1.31 0.00 0.00 55.95 56.96 1h03 s SER 31 Cb -0.08 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 1h03 s SER 31 CO 0.12 0.06 -0.22 -0.36 0.41 0.00 0.00 173.24 173.24 1h03 s PHE 32 N -1.06 2.43 0.25 2.43 0.40 -0.24 -0.36 117.98 121.83 1h03 s PHE 32 Ca 0.05 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.87 1h03 s PHE 32 Cb -0.09 -1.35 0.02 0.00 0.51 0.00 0.00 43.02 42.10 1h03 s PHE 32 CO 0.03 0.30 0.60 -1.54 0.70 0.00 0.00 175.22 175.30 1h03 s SER 33 N -1.81 -0.22 0.15 1.36 1.04 -0.86 -4.85 113.70 108.51 1h03 s SER 33 Ca 0.15 -0.66 0.10 0.00 0.48 0.00 0.00 55.95 56.02 1h03 s SER 33 Cb -0.10 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.62 1h03 s SER 33 CO 0.06 -1.20 -0.22 0.00 0.98 0.00 0.00 173.24 172.86 1h03 s ASN 35 N -2.40 4.25 0.13 0.00 0.01 0.10 -4.85 114.94 112.19 1h03 s ASN 35 Ca 0.15 2.16 -0.35 0.00 -0.71 0.00 0.00 52.86 54.10 1h03 s ASN 35 Cb -0.08 -2.57 -0.15 0.00 0.41 0.00 0.00 41.25 38.86 1h03 s ASN 35 CO 0.07 -2.21 1.43 0.41 -1.51 0.00 0.00 177.10 175.29 1h03 n THR 36 N -3.02 0.08 0.00 1.60 -1.04 -1.26 -1.33 114.28 109.31 1h03 n THR 36 Ca 0.12 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.11 1h03 n THR 36 Cb 0.51 -1.14 0.00 0.00 -1.82 0.00 0.00 70.33 67.89 1h03 n THR 36 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1h03 n GLY 37 N 2.84 0.40 3.43 3.41 0.00 -1.26 -5.04 105.19 108.97 1h03 n GLY 37 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.98 1h03 n GLY 37 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1h03 s TYR 38 N -2.07 2.03 0.01 1.61 1.51 -0.44 -1.71 117.35 118.29 1h03 s TYR 38 Ca 0.00 -0.50 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 1h03 s TYR 38 Cb 0.00 -0.98 -0.01 0.00 -0.11 0.00 0.00 41.96 40.86 1h03 s TYR 38 CO 0.00 0.49 0.04 -1.59 -1.11 0.00 0.00 175.55 173.39 1h03 s LYS 39 N -3.61 0.33 0.22 -0.62 -2.85 0.24 -4.68 119.74 108.77 1h03 s LYS 39 Ca 0.27 -0.43 -0.30 0.00 -1.00 0.00 0.00 55.97 54.51 1h03 s LYS 39 Cb -0.01 0.13 -0.09 0.00 -2.06 0.00 0.00 37.83 35.80 1h03 s LYS 39 CO 0.12 -0.07 1.35 -1.17 0.10 0.00 0.00 175.35 175.68 1h03 s LEU 40 N -1.21 4.41 -0.42 2.77 2.96 -1.26 -0.88 118.68 125.05 1h03 s LEU 40 Ca -0.13 2.49 -0.01 0.00 -0.22 0.00 0.00 54.13 56.26 1h03 s LEU 40 Cb -0.08 -3.61 0.11 0.00 0.50 0.00 0.00 46.19 43.11 1h03 s LEU 40 CO 0.00 -0.58 0.19 0.12 -1.32 0.00 0.00 176.35 174.76 1h03 s PHE 41 N 0.07 3.60 -2.01 5.38 5.36 0.78 -4.90 117.98 126.25 1h03 s PHE 41 Ca 0.57 -2.64 0.00 0.00 -0.96 0.00 0.00 56.93 53.90 1h03 s PHE 41 Cb -0.38 -3.13 0.00 0.00 -0.34 0.00 0.00 43.02 39.17 1h03 s PHE 41 CO 0.40 -0.94 0.00 0.41 -1.46 0.00 0.00 175.22 173.63 1h03 n GLY 42 N 4.32 0.63 3.76 13.12 0.00 -1.26 -2.29 105.19 123.47 1h03 n GLY 42 Ca 0.01 -2.14 -0.37 0.00 0.00 0.00 0.00 46.02 43.52 1h03 n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1h03 s SER 43 N -4.00 5.85 0.23 1.61 0.01 -1.26 -4.96 113.70 111.17 1h03 s SER 43 Ca 0.00 2.44 0.24 0.00 1.31 0.00 0.00 55.95 59.94 1h03 s SER 43 Cb 0.00 -2.61 0.37 0.00 0.21 0.00 0.00 66.02 63.98 1h03 s SER 43 CO 0.00 -1.15 1.42 0.71 0.41 0.00 0.00 173.24 174.63 1h03 h THR 44 N 1.68 0.00 -3.76 1.44 1.35 -1.97 -3.42 112.91 108.23 1h03 h THR 44 Ca -0.50 -0.71 -0.11 0.00 -0.55 0.00 0.00 66.41 64.54 1h03 h THR 44 Cb 1.27 1.45 -0.09 0.00 -1.73 0.00 0.00 68.15 69.05 1h03 h THR 44 CO 0.59 0.00 -0.14 -0.94 -0.25 0.00 0.00 175.52 174.78 1h03 s SER 45 N -4.97 0.14 -0.08 5.36 1.04 -1.26 -1.08 113.70 112.85 1h03 s SER 45 Ca 0.06 -1.08 -0.16 0.00 0.48 0.00 0.00 55.95 55.24 1h03 s SER 45 Cb 0.10 0.61 0.04 0.00 0.10 0.00 0.00 66.02 66.87 1h03 s SER 45 CO 0.70 -1.19 0.40 -0.55 0.98 0.00 0.00 173.24 173.57 1h03 s SER 46 N -3.07 -0.35 -0.03 7.02 0.15 -0.23 -4.74 113.70 112.45 1h03 s SER 46 Ca 0.25 0.48 0.06 0.00 0.70 0.00 0.00 55.95 57.44 1h03 s SER 46 Cb -0.00 0.57 -0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1h03 s SER 46 CO 0.12 -0.34 -0.21 0.12 1.20 0.00 0.00 173.24 174.13 1h03 s PHE 47 N -0.65 2.00 -0.65 3.44 5.36 -1.26 -0.70 117.98 125.52 1h03 s PHE 47 Ca -0.07 -0.46 -0.26 0.00 -0.96 0.00 0.00 56.93 55.18 1h03 s PHE 47 Cb -0.04 -1.30 0.04 0.00 -0.34 0.00 0.00 43.02 41.38 1h03 s PHE 47 CO 0.03 -0.09 1.13 0.00 -1.46 0.00 0.00 175.22 174.83 1h03 n LEU 49 N 8.45 0.00 -4.19 0.00 -0.00 -0.70 -0.38 117.00 120.18 1h03 n LEU 49 Ca 0.03 -3.05 -0.31 0.00 -0.00 0.00 0.00 56.01 52.68 1h03 n LEU 49 Cb 0.48 0.28 -0.17 0.00 -0.00 0.00 0.00 43.42 44.01 1h03 n LEU 49 CO 0.68 -0.46 -0.54 -0.51 -0.00 0.00 0.00 177.39 176.55 1h03 s ILE 50 N -2.76 1.89 -0.04 1.47 -1.16 -1.26 -1.05 121.20 118.29 1h03 s ILE 50 Ca 0.05 -0.93 -0.09 0.00 -0.51 0.00 0.00 60.65 59.17 1h03 s ILE 50 Cb -0.00 -1.64 0.02 0.00 0.61 0.00 0.00 42.46 41.44 1h03 s ILE 50 CO 0.03 0.52 0.22 -0.55 -2.81 0.00 0.00 174.94 172.36 1h03 s SER 51 N 0.31 -0.13 0.00 4.50 0.15 -0.70 -4.90 113.70 112.93 1h03 s SER 51 Ca -0.16 0.13 0.00 0.00 0.70 0.00 0.00 55.95 56.63 1h03 s SER 51 Cb -0.17 0.34 0.00 0.00 -1.71 0.00 0.00 66.02 64.48 1h03 s SER 51 CO 0.07 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.85 1h03 n GLY 52 N 2.01 1.57 0.00 9.45 0.00 -1.26 -1.57 105.19 115.39 1h03 n GLY 52 Ca -0.18 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.82 1h03 n GLY 52 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1h03 n SER 53 N 3.45 0.00 -3.82 1.61 2.88 -1.26 -5.16 113.62 111.31 1h03 n SER 53 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1h03 n SER 53 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 1h03 n SER 53 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1h03 s SER 54 N 0.00 -0.12 -0.11 -3.46 1.04 -0.61 -5.14 113.70 105.31 1h03 s SER 54 Ca 0.00 0.11 -0.28 0.00 0.48 0.00 0.00 55.95 56.26 1h03 s SER 54 Cb 0.00 0.33 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 1h03 s SER 54 CO 0.00 -0.27 0.93 -0.69 0.98 0.00 0.00 173.24 174.19 1h03 s VAL 55 N -0.79 4.84 0.14 5.02 1.01 -1.26 -1.71 120.40 127.64 1h03 s VAL 55 Ca -0.09 1.89 -0.24 0.00 0.00 0.00 0.00 61.98 63.54 1h03 s VAL 55 Cb -0.05 -4.25 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1h03 s VAL 55 CO 0.02 0.05 0.66 0.00 0.00 0.00 0.00 175.10 175.82 1h03 s GLN 56 N 1.85 1.22 0.31 2.72 -2.07 -0.21 -4.78 119.66 118.71 1h03 s GLN 56 Ca 0.45 -0.47 -0.29 0.00 -1.82 0.00 0.00 55.36 53.23 1h03 s GLN 56 Cb -0.18 0.55 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 1h03 s GLN 56 CO 0.17 -0.54 1.22 -1.58 -1.32 0.00 0.00 175.29 173.25 1h03 s TRP 57 N -3.64 3.26 0.29 9.60 0.52 -1.26 -1.72 118.94 125.98 1h03 s TRP 57 Ca 0.02 1.53 0.14 0.00 0.02 0.00 0.00 56.10 57.81 1h03 s TRP 57 Cb -0.01 -3.52 0.62 0.00 -1.15 0.00 0.00 33.47 29.40 1h03 s TRP 57 CO -0.11 -1.34 1.74 0.66 0.02 0.00 0.00 176.95 177.92 1h03 h SER 58 N 3.55 0.00 -4.28 2.95 4.64 -0.81 -3.45 113.55 116.16 1h03 h SER 58 Ca -0.48 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.32 1h03 h SER 58 Cb 1.22 0.00 -0.23 0.00 -0.31 0.00 0.00 62.40 63.08 1h03 h SER 58 CO 0.66 0.45 -0.82 -1.81 -0.87 0.00 0.00 176.83 174.44 1h03 s ASP 59 N -6.73 2.25 0.72 4.97 1.01 -1.26 -4.94 116.67 112.68 1h03 s ASP 59 Ca -0.02 -0.61 -0.14 0.00 0.71 0.00 0.00 52.55 52.49 1h03 s ASP 59 Cb 0.13 -0.13 0.03 0.00 1.01 0.00 0.00 42.92 43.96 1h03 s ASP 59 CO 0.72 0.05 1.13 -2.16 0.21 0.00 0.00 175.17 175.12 1h03 s PRO 60 N -1.64 2.41 0.18 8.23 0.04 -1.26 -4.94 135.00 138.02 1h03 s PRO 60 Ca 0.04 1.45 -0.30 0.00 0.04 0.00 0.00 61.00 62.23 1h03 s PRO 60 Cb -0.09 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.47 1h03 s PRO 60 CO 0.03 -1.57 1.28 -1.17 0.04 0.00 0.00 177.00 175.61 1h03 s LEU 61 N -5.25 4.42 0.80 -3.56 2.96 -1.26 -4.71 118.68 112.08 1h03 s LEU 61 Ca 0.68 2.32 -0.12 0.00 -0.22 0.00 0.00 54.13 56.79 1h03 s LEU 61 Cb -0.22 -3.60 0.08 0.00 0.50 0.00 0.00 46.19 42.94 1h03 s LEU 61 CO 0.46 -0.49 1.17 -2.16 -1.32 0.00 0.00 176.35 174.01 1h03 s PRO 62 N 0.06 1.98 0.32 0.98 0.04 -1.26 -4.98 135.00 132.13 1h03 s PRO 62 Ca 0.56 0.10 0.09 0.00 0.04 0.00 0.00 61.00 61.79 1h03 s PRO 62 Cb -0.35 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.18 1h03 s PRO 62 CO 0.36 -1.58 0.06 -1.21 0.04 0.00 0.00 177.00 174.68 1h03 s GLU 63 N -5.56 2.27 -0.19 4.56 2.02 -0.97 -4.91 118.70 115.92 1h03 s GLU 63 Ca 0.62 -1.56 -0.03 0.00 0.02 0.00 0.00 54.97 54.03 1h03 s GLU 63 Cb -0.11 -2.11 -0.01 0.00 0.10 0.00 0.00 34.13 32.00 1h03 s GLU 63 CO 0.49 0.20 -0.08 0.00 0.02 0.00 0.00 175.26 175.89 1h03 s ARG 65 N 1.11 2.00 0.31 0.00 1.70 -0.05 -4.86 118.95 119.16 1h03 s ARG 65 Ca 0.01 -1.14 -0.29 0.00 -0.47 0.00 0.00 55.73 53.84 1h03 s ARG 65 Cb -0.15 -2.20 -0.10 0.00 -0.57 0.00 0.00 34.95 31.93 1h03 s ARG 65 CO -0.02 0.48 1.22 -1.21 -1.08 0.00 0.00 175.30 174.70 1h03 s GLU 66 N -2.36 4.47 -0.06 3.89 2.02 -1.26 -0.59 118.70 124.81 1h03 s GLU 66 Ca 0.21 2.05 -0.22 0.00 0.02 0.00 0.00 54.97 57.03 1h03 s GLU 66 Cb -0.10 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1h03 s GLU 66 CO 0.13 -0.03 0.65 0.42 0.02 0.00 0.00 175.26 176.45 1h03 s ILE 67 N -1.15 5.04 0.02 -1.63 1.01 -0.69 -4.85 121.20 118.95 1h03 s ILE 67 Ca 0.47 1.34 0.07 0.00 0.00 0.00 0.00 60.65 62.54 1h03 s ILE 67 Cb -0.37 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 1h03 s ILE 67 CO 0.48 0.29 -0.20 -0.31 0.00 0.00 0.00 174.94 175.20 1h03 s TYR 68 N 0.61 2.51 0.81 3.97 4.12 -1.26 -4.09 117.35 124.01 1h03 s TYR 68 Ca 0.35 -0.29 -0.12 0.00 0.02 0.00 0.00 57.07 57.03 1h03 s TYR 68 Cb -0.17 -1.48 0.08 0.00 -1.52 0.00 0.00 41.96 38.86 1h03 s TYR 68 CO 0.17 0.19 1.10 0.00 0.02 0.00 0.00 175.55 177.03 1h03 s PRO 70 N -5.18 0.52 0.41 0.00 0.04 -1.26 -4.61 135.00 124.93 1h03 s PRO 70 Ca 0.61 0.30 -0.26 0.00 0.04 0.00 0.00 61.00 61.68 1h03 s PRO 70 Cb -0.14 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.53 1h03 s PRO 70 CO 0.54 -2.62 1.36 0.00 0.04 0.00 0.00 177.00 176.32 1h03 n ALA 71 N -4.06 1.72 -1.75 8.56 0.00 -1.26 -4.91 120.51 118.82 1h03 n ALA 71 Ca 0.07 0.28 -0.37 0.00 0.00 0.00 0.00 53.44 53.43 1h03 n ALA 71 Cb 0.59 -2.33 0.04 0.00 0.00 0.00 0.00 19.45 17.75 1h03 n ALA 71 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1h03 s PRO 72 N -2.23 2.92 0.42 0.00 0.04 -1.26 -4.95 135.00 129.94 1h03 s PRO 72 Ca 0.59 1.96 -0.25 0.00 0.04 0.00 0.00 61.00 63.35 1h03 s PRO 72 Cb -0.49 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 31.98 1h03 s PRO 72 CO 0.59 -1.28 1.20 -1.25 0.04 0.00 0.00 177.00 176.31 1h03 s PRO 73 N -3.23 3.95 0.35 0.56 0.04 -1.26 -5.02 135.00 130.39 1h03 s PRO 73 Ca 0.77 1.90 -0.10 0.00 0.04 0.00 0.00 61.00 63.62 1h03 s PRO 73 Cb -0.34 -2.63 -0.07 0.00 0.04 0.00 0.00 34.50 31.50 1h03 s PRO 73 CO 0.38 -0.43 0.70 -0.65 0.04 0.00 0.00 177.00 177.04 1h03 s GLN 74 N -2.38 3.78 0.07 4.56 -1.52 -1.26 -5.01 119.66 117.91 1h03 s GLN 74 Ca 0.59 0.39 0.07 0.00 -1.95 0.00 0.00 55.36 54.45 1h03 s GLN 74 Cb -0.32 -2.47 -0.03 0.00 -0.22 0.00 0.00 33.01 29.97 1h03 s GLN 74 CO 0.40 0.07 -0.18 0.96 -0.25 0.00 0.00 175.29 176.30 1h03 s ILE 75 N -2.20 1.42 0.42 1.08 -4.36 -1.26 -5.09 121.20 111.21 1h03 s ILE 75 Ca 0.50 -1.31 -0.25 0.00 -0.26 0.00 0.00 60.65 59.33 1h03 s ILE 75 Cb -0.10 -1.30 -0.08 0.00 1.25 0.00 0.00 42.46 42.23 1h03 s ILE 75 CO 0.28 -0.04 1.31 -1.81 0.24 0.00 0.00 174.94 174.92 1h03 s ASP 76 N -1.57 6.17 -1.97 4.36 1.01 -1.26 -2.99 116.67 120.42 1h03 s ASP 76 Ca 0.03 2.67 0.00 0.00 0.71 0.00 0.00 52.55 55.96 1h03 s ASP 76 Cb -0.09 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.20 1h03 s ASP 76 CO 0.03 -0.95 0.00 0.59 0.21 0.00 0.00 175.17 175.05 1h03 n ASN 77 N -0.04 -5.64 -4.08 0.27 3.02 -1.26 -4.33 115.26 103.21 1h03 n ASN 77 Ca 0.05 0.25 -0.10 0.00 -0.03 0.00 0.00 54.58 54.74 1h03 n ASN 77 Cb 0.44 -4.83 -0.08 0.00 -0.61 0.00 0.00 39.78 34.70 1h03 n ASN 77 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1h03 s GLY 78 N -2.39 0.90 0.14 7.41 0.00 -1.16 -1.00 107.32 111.21 1h03 s GLY 78 Ca 0.00 -1.23 0.01 0.00 0.00 0.00 0.00 44.72 43.50 1h03 s GLY 78 CO 0.00 -1.01 -0.01 -0.26 0.00 0.00 0.00 173.10 171.83 1h03 s ILE 79 N -4.06 0.55 -0.13 0.90 -0.00 0.56 -4.61 121.20 114.40 1h03 s ILE 79 Ca 0.28 -1.95 -0.12 0.00 -0.00 0.00 0.00 60.65 58.87 1h03 s ILE 79 Cb 0.03 -1.96 -0.05 0.00 -0.00 0.00 0.00 42.46 40.49 1h03 s ILE 79 CO 0.08 -0.60 0.25 -0.63 -0.00 0.00 0.00 174.94 174.04 1h03 s ILE 80 N -3.74 5.32 -0.22 8.37 1.01 -1.26 -0.95 121.20 129.73 1h03 s ILE 80 Ca 0.20 0.46 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 1h03 s ILE 80 Cb 0.06 -3.56 0.01 0.00 0.01 0.00 0.00 42.46 38.98 1h03 s ILE 80 CO 0.01 0.49 1.06 -1.10 0.00 0.00 0.00 174.94 175.40 1h03 s GLN 81 N -0.23 4.26 -1.19 2.79 -0.21 -0.10 -4.16 119.66 120.83 1h03 s GLN 81 Ca 0.16 1.39 -0.26 0.00 0.02 0.00 0.00 55.36 56.68 1h03 s GLN 81 Cb -0.13 -3.65 0.01 0.00 1.00 0.00 0.00 33.01 30.25 1h03 s GLN 81 CO 0.05 -0.62 0.72 0.41 -2.12 0.00 0.00 175.29 173.73 1h03 n GLY 82 N 3.34 -0.89 3.73 3.09 0.00 -1.26 -4.66 105.19 108.54 1h03 n GLY 82 Ca 0.12 0.39 -0.42 0.00 0.00 0.00 0.00 46.02 46.11 1h03 n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1h03 s GLU 83 N -6.62 4.15 0.51 1.61 2.12 -1.26 -5.01 118.70 114.21 1h03 s GLU 83 Ca 0.46 2.53 0.04 0.00 0.36 0.00 0.00 54.97 58.36 1h03 s GLU 83 Cb -0.20 -3.09 0.03 0.00 0.26 0.00 0.00 34.13 31.13 1h03 s GLU 83 CO 0.91 -0.69 0.71 1.03 -0.54 0.00 0.00 175.26 176.69 1h03 s ARG 84 N 0.84 2.59 0.12 4.30 0.52 -1.26 -5.03 118.95 121.03 1h03 s ARG 84 Ca 0.71 -0.99 -0.09 0.00 -0.52 0.00 0.00 55.73 54.84 1h03 s ARG 84 Cb -0.48 -2.58 -0.11 0.00 0.52 0.00 0.00 34.95 32.30 1h03 s ARG 84 CO 0.35 -0.60 1.31 -0.44 0.02 0.00 0.00 175.30 175.94 1h03 h ASP 85 N 0.25 0.75 -4.13 0.23 3.32 -2.05 -3.46 116.42 111.34 1h03 h ASP 85 Ca -0.41 -0.54 -0.28 0.00 0.02 0.00 0.00 57.03 55.82 1h03 h ASP 85 Cb 1.29 -0.23 -0.26 0.00 0.22 0.00 0.00 39.33 40.35 1h03 h ASP 85 CO 0.49 1.33 -0.74 -1.00 -1.72 0.00 0.00 179.24 177.59 1h03 s HIS 86 N -3.53 0.39 -0.11 4.55 3.76 -1.26 -4.97 115.29 114.13 1h03 s HIS 86 Ca -0.08 -0.19 0.02 0.00 -0.15 0.00 0.00 55.06 54.67 1h03 s HIS 86 Cb 0.09 -0.25 0.01 0.00 1.11 0.00 0.00 32.58 33.54 1h03 s HIS 86 CO 0.89 -0.04 -0.18 0.71 -0.85 0.00 0.00 174.74 175.27 1h03 s TYR 87 N -0.45 2.21 0.32 1.40 1.51 -1.26 -5.06 117.35 116.01 1h03 s TYR 87 Ca -0.02 -1.02 0.03 0.00 -1.01 0.00 0.00 57.07 55.06 1h03 s TYR 87 Cb -0.04 -1.54 0.03 0.00 -0.11 0.00 0.00 41.96 40.30 1h03 s TYR 87 CO -0.00 -0.48 0.28 0.41 -1.11 0.00 0.00 175.55 174.65 1h03 n GLY 88 N 3.99 2.66 3.65 0.71 0.00 -1.26 -1.16 105.19 113.78 1h03 n GLY 88 Ca -0.20 -2.23 -0.53 0.00 0.00 0.00 0.00 46.02 43.07 1h03 n GLY 88 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1h03 n TYR 89 N -1.34 1.87 -1.06 1.61 -0.00 -1.26 -1.60 117.16 115.37 1h03 n TYR 89 Ca 0.01 0.49 -0.02 0.00 -0.00 0.00 0.00 57.90 58.38 1h03 n TYR 89 Cb 0.35 -2.44 -0.01 0.00 -0.00 0.00 0.00 39.34 37.25 1h03 n TYR 89 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1h03 n ARG 90 N 3.98 -1.07 -3.17 2.98 1.74 0.05 -4.98 116.66 116.20 1h03 n ARG 90 Ca 0.21 0.39 -0.34 0.00 -0.77 0.00 0.00 57.85 57.34 1h03 n ARG 90 Cb 0.19 -4.26 -0.06 0.00 -1.02 0.00 0.00 32.46 27.31 1h03 n ARG 90 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1h03 s GLN 91 N -1.45 4.08 0.31 5.56 -0.21 -0.63 -4.81 119.66 122.50 1h03 s GLN 91 Ca 0.00 0.70 0.10 0.00 0.02 0.00 0.00 55.36 56.18 1h03 s GLN 91 Cb 0.00 -2.67 -0.05 0.00 1.00 0.00 0.00 33.01 31.29 1h03 s GLN 91 CO 0.00 0.29 -0.10 -1.54 -2.12 0.00 0.00 175.29 171.82 1h03 s SER 92 N -1.99 3.88 -0.02 5.90 1.04 -1.26 -1.41 113.70 119.83 1h03 s SER 92 Ca 0.48 -1.02 0.05 0.00 0.48 0.00 0.00 55.95 55.94 1h03 s SER 92 Cb -0.13 -0.43 -0.01 0.00 0.10 0.00 0.00 66.02 65.55 1h03 s SER 92 CO 0.19 -0.09 -0.19 0.68 0.98 0.00 0.00 173.24 174.81 1h03 s VAL 93 N -2.52 1.50 -0.05 5.02 -7.23 -0.49 -5.00 120.40 111.62 1h03 s VAL 93 Ca 0.32 -0.79 0.06 0.00 -1.81 0.00 0.00 61.98 59.76 1h03 s VAL 93 Cb -0.02 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.65 1h03 s VAL 93 CO 0.17 0.43 -0.25 -0.89 -0.31 0.00 0.00 175.10 174.24 1h03 s THR 94 N -0.29 2.05 0.29 5.32 2.01 -1.26 -2.05 115.64 121.70 1h03 s THR 94 Ca 0.04 -1.07 0.07 0.00 0.31 0.00 0.00 61.69 61.04 1h03 s THR 94 Cb -0.09 -1.73 -0.03 0.00 0.01 0.00 0.00 72.50 70.67 1h03 s THR 94 CO 0.00 0.57 0.30 -0.31 -0.69 0.00 0.00 174.62 174.49 1h03 s TYR 95 N -0.20 3.11 -0.03 4.92 1.51 -0.34 -0.92 117.35 125.40 1h03 s TYR 95 Ca -0.03 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 55.83 1h03 s TYR 95 Cb -0.13 -1.65 0.01 0.00 -0.11 0.00 0.00 41.96 40.07 1h03 s TYR 95 CO 0.03 0.32 0.09 0.00 -1.11 0.00 0.00 175.55 174.89 1h03 s ALA 96 N -2.16 -0.23 0.35 3.71 0.00 -0.13 -4.87 121.76 118.43 1h03 s ALA 96 Ca 0.37 0.20 -0.11 0.00 0.00 0.00 0.00 51.96 52.42 1h03 s ALA 96 Cb -0.08 -0.12 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 1h03 s ALA 96 CO 0.27 -0.07 0.72 0.00 0.00 0.00 0.00 175.76 176.68 1h03 s ASN 98 N -2.84 3.14 -0.08 0.00 0.01 -0.17 -4.87 114.94 110.12 1h03 s ASN 98 Ca 0.51 0.87 -0.37 0.00 -0.71 0.00 0.00 52.86 53.16 1h03 s ASN 98 Cb -0.10 -1.37 -0.15 0.00 0.41 0.00 0.00 41.25 40.04 1h03 s ASN 98 CO 0.26 -2.77 1.66 1.17 -1.51 0.00 0.00 177.10 175.91 1h03 n LYS 99 N -3.90 1.56 -0.58 -0.60 4.81 -1.26 -1.63 118.16 116.57 1h03 n LYS 99 Ca 0.08 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.09 1h03 n LYS 99 Cb 0.59 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.34 1h03 n LYS 99 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1h03 n GLY 100 N 3.75 0.77 3.50 3.14 0.00 -1.26 -5.06 105.19 110.04 1h03 n GLY 100 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 1h03 n GLY 100 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1h03 s PHE 101 N -2.91 2.55 0.06 1.61 0.08 -0.64 -4.57 117.98 114.16 1h03 s PHE 101 Ca 0.00 -0.25 0.09 0.00 0.12 0.00 0.00 56.93 56.88 1h03 s PHE 101 Cb 0.00 -1.34 -0.03 0.00 -0.57 0.00 0.00 43.02 41.08 1h03 s PHE 101 CO 0.00 0.41 -0.24 0.95 -0.10 0.00 0.00 175.22 176.24 1h03 s THR 102 N -1.24 1.94 0.03 0.64 -4.23 0.68 -4.67 115.64 108.79 1h03 s THR 102 Ca 0.19 -1.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.09 1h03 s THR 102 Cb -0.10 -1.68 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1h03 s THR 102 CO 0.11 0.25 0.78 -0.32 -0.54 0.00 0.00 174.62 174.91 1h03 s MET 103 N -1.32 4.50 -0.11 3.99 1.75 -1.26 -0.21 119.30 126.63 1h03 s MET 103 Ca 0.10 1.08 0.03 0.00 -1.25 0.00 0.00 55.69 55.65 1h03 s MET 103 Cb -0.10 -3.39 0.01 0.00 2.84 0.00 0.00 34.83 34.20 1h03 s MET 103 CO 0.02 0.22 -0.21 0.42 -0.65 0.00 0.00 175.02 174.82 1h03 s ILE 104 N 0.18 1.90 0.00 10.11 1.01 0.13 -4.98 121.20 129.55 1h03 s ILE 104 Ca 0.40 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.14 1h03 s ILE 104 Cb -0.20 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.59 1h03 s ILE 104 CO 0.23 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.30 1h03 n GLY 105 N 3.83 0.75 3.72 6.18 0.00 -1.26 -1.37 105.19 117.03 1h03 n GLY 105 Ca -0.20 -2.09 -0.43 0.00 0.00 0.00 0.00 46.02 43.30 1h03 n GLY 105 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1h03 n GLU 106 N 0.54 2.65 0.20 1.61 1.02 -1.26 -4.89 120.64 120.51 1h03 n GLU 106 Ca 0.00 0.95 0.14 0.00 -0.02 0.00 0.00 57.16 58.23 1h03 n GLU 106 Cb 0.00 -2.77 0.45 0.00 -0.02 0.00 0.00 31.44 29.10 1h03 n GLU 106 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1h03 h HIS 107 N 6.13 0.00 -3.95 -0.32 3.86 -1.93 -3.31 115.15 115.62 1h03 h HIS 107 Ca -0.44 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 58.63 1h03 h HIS 107 Cb 1.22 0.00 -0.18 0.00 1.06 0.00 0.00 27.41 29.50 1h03 h HIS 107 CO 0.62 0.00 -0.62 -1.54 0.86 0.00 0.00 177.93 177.26 1h03 s SER 108 N -5.30 0.27 0.24 2.45 1.04 -1.26 -1.20 113.70 109.93 1h03 s SER 108 Ca 0.05 -0.62 0.02 0.00 0.48 0.00 0.00 55.95 55.88 1h03 s SER 108 Cb 0.09 0.18 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 1h03 s SER 108 CO 0.56 -0.46 0.04 0.27 0.98 0.00 0.00 173.24 174.62 1h03 s ILE 109 N -2.52 0.83 0.09 -1.02 -4.36 -0.87 -4.99 121.20 108.36 1h03 s ILE 109 Ca -0.06 -2.01 -0.04 0.00 -0.26 0.00 0.00 60.65 58.28 1h03 s ILE 109 Cb -0.02 -2.45 -0.03 0.00 1.25 0.00 0.00 42.46 41.22 1h03 s ILE 109 CO -0.05 -0.21 0.08 -0.72 0.24 0.00 0.00 174.94 174.29 1h03 s TYR 110 N -3.56 0.47 -0.25 1.37 -0.85 -1.26 -1.39 117.35 111.88 1h03 s TYR 110 Ca 0.32 -0.93 -0.28 0.00 -0.52 0.00 0.00 57.07 55.65 1h03 s TYR 110 Cb 0.07 -0.28 0.01 0.00 0.38 0.00 0.00 41.96 42.13 1h03 s TYR 110 CO 0.10 -0.49 0.98 0.00 -1.52 0.00 0.00 175.55 174.62 1h03 s THR 112 N 3.15 3.30 0.02 0.00 -4.23 0.17 -0.77 115.64 117.27 1h03 s THR 112 Ca 0.41 -1.57 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 1h03 s THR 112 Cb -0.15 -3.07 -0.01 0.00 1.34 0.00 0.00 72.50 70.61 1h03 s THR 112 CO 0.07 -0.20 -0.12 0.68 -0.54 0.00 0.00 174.62 174.52 1h03 s VAL 113 N -2.36 0.91 -0.26 2.29 -7.23 -1.26 -0.36 120.40 112.13 1h03 s VAL 113 Ca 0.38 -0.73 -0.21 0.00 -1.81 0.00 0.00 61.98 59.61 1h03 s VAL 113 Cb -0.04 -0.81 0.07 0.00 0.56 0.00 0.00 36.38 36.16 1h03 s VAL 113 CO 0.24 0.08 0.67 0.20 -0.31 0.00 0.00 175.10 175.98 1h03 s ASN 114 N -0.73 -0.75 -1.51 4.85 0.01 -0.77 -4.93 114.94 111.11 1h03 s ASN 114 Ca 0.02 1.38 -0.10 0.00 -0.71 0.00 0.00 52.86 53.44 1h03 s ASN 114 Cb -0.06 1.36 0.07 0.00 0.41 0.00 0.00 41.25 43.03 1h03 s ASN 114 CO 0.00 -0.23 0.80 0.59 -1.51 0.00 0.00 177.10 176.75 1h03 n ASN 115 N 3.12 -3.10 -1.22 -1.22 3.02 -1.26 -1.62 115.26 112.98 1h03 n ASN 115 Ca -0.16 -0.87 -0.16 0.00 -0.03 0.00 0.00 54.58 53.37 1h03 n ASN 115 Cb 0.56 -3.55 -0.07 0.00 -0.61 0.00 0.00 39.78 36.11 1h03 n ASN 115 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1h03 n ASP 116 N -2.86 -5.61 -4.23 6.41 8.00 -1.26 -4.98 116.55 112.02 1h03 n ASP 116 Ca -0.07 0.39 -0.27 0.00 0.71 0.00 0.00 54.79 55.55 1h03 n ASP 116 Cb 0.57 -4.52 -0.15 0.00 -0.02 0.00 0.00 41.12 37.00 1h03 n ASP 116 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1h03 s GLU 117 N -3.34 1.61 0.07 -1.24 2.02 -0.64 -4.97 118.70 112.22 1h03 s GLU 117 Ca 0.00 -0.78 -0.19 0.00 0.02 0.00 0.00 54.97 54.02 1h03 s GLU 117 Cb 0.00 -1.59 -0.07 0.00 0.10 0.00 0.00 34.13 32.57 1h03 s GLU 117 CO 0.00 0.43 0.57 0.20 0.02 0.00 0.00 175.26 176.48 1h03 s GLY 118 N -0.63 2.67 -0.02 -1.39 0.00 -1.26 -1.84 107.32 104.86 1h03 s GLY 118 Ca 0.08 0.04 -0.02 0.00 0.00 0.00 0.00 44.72 44.82 1h03 s GLY 118 CO -0.00 0.48 0.05 -0.54 0.00 0.00 0.00 173.10 173.08 1h03 s GLU 119 N -1.06 0.05 0.47 2.90 2.02 0.51 -4.43 118.70 119.16 1h03 s GLU 119 Ca 0.29 0.07 -0.22 0.00 0.02 0.00 0.00 54.97 55.12 1h03 s GLU 119 Cb -0.19 0.02 -0.07 0.00 0.10 0.00 0.00 34.13 33.98 1h03 s GLU 119 CO 0.19 -0.01 1.17 -1.58 0.02 0.00 0.00 175.26 175.05 1h03 s TRP 120 N 0.06 2.83 0.50 1.61 0.52 -1.26 0.43 118.94 123.64 1h03 s TRP 120 Ca -0.00 1.53 0.35 0.00 0.02 0.00 0.00 56.10 57.99 1h03 s TRP 120 Cb -0.01 -3.39 1.87 0.00 -1.15 0.00 0.00 33.47 30.80 1h03 s TRP 120 CO -0.00 -1.57 2.21 0.66 0.02 0.00 0.00 176.95 178.27 1h03 h SER 121 N 1.94 0.00 0.00 2.95 4.64 -0.44 -3.45 113.55 119.19 1h03 h SER 121 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1h03 h SER 121 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1h03 h SER 121 CO 0.60 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 177.20 1h03 n GLY 122 N -0.88 -1.18 3.82 -0.77 0.00 -1.26 -4.98 105.19 99.95 1h03 n GLY 122 Ca -0.02 -0.94 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 1h03 n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1h03 s PRO 123 N -1.22 3.70 0.85 1.61 0.04 -1.26 -4.95 135.00 133.77 1h03 s PRO 123 Ca 0.00 1.13 -0.12 0.00 0.04 0.00 0.00 61.00 62.05 1h03 s PRO 123 Cb 0.00 -2.09 0.10 0.00 0.04 0.00 0.00 34.50 32.55 1h03 s PRO 123 CO 0.00 -0.49 1.10 -1.25 0.04 0.00 0.00 177.00 176.39 1h03 s PRO 124 N -3.88 1.63 1.00 0.56 0.04 -1.26 -4.90 135.00 128.20 1h03 s PRO 124 Ca 0.62 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.20 1h03 s PRO 124 Cb -0.13 -1.86 0.19 0.00 0.04 0.00 0.00 34.50 32.74 1h03 s PRO 124 CO 0.30 -1.95 1.14 -1.25 0.04 0.00 0.00 177.00 175.29 1h03 s PRO 125 N -5.07 0.37 -0.04 0.56 0.04 -1.25 -4.94 135.00 124.68 1h03 s PRO 125 Ca 0.62 0.19 0.00 0.00 0.04 0.00 0.00 61.00 61.86 1h03 s PRO 125 Cb -0.16 -1.76 -0.03 0.00 0.04 0.00 0.00 34.50 32.59 1h03 s PRO 125 CO 0.55 -2.70 -0.00 -2.00 0.04 0.00 0.00 177.00 172.89 1h03 s GLU 126 N -5.29 2.86 -0.29 4.56 2.12 -0.47 -4.95 118.70 117.24 1h03 s GLU 126 Ca 0.67 -0.53 -0.03 0.00 0.36 0.00 0.00 54.97 55.43 1h03 s GLU 126 Cb -0.14 -2.71 0.03 0.00 0.26 0.00 0.00 34.13 31.58 1h03 s GLU 126 CO 0.55 0.66 0.01 0.00 -0.54 0.00 0.00 175.26 175.94 1h03 s ARG 128 N 1.34 2.95 0.00 0.00 3.52 0.70 -4.82 118.95 122.64 1h03 s ARG 128 Ca -0.02 -0.43 0.28 0.00 -0.13 0.00 0.00 55.73 55.43 1h03 s ARG 128 Cb -0.18 -2.76 1.09 0.00 -1.56 0.00 0.00 34.95 31.54 1h03 s ARG 128 CO -0.01 0.69 1.77 0.41 -0.81 0.00 0.00 175.30 177.35