#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1is5 s ARG 3 N 0.00 2.38 -0.13 0.11 1.70 -1.26 -5.01 118.95 116.74 1is5 s ARG 3 Ca 0.00 0.77 -0.21 0.00 -0.47 0.00 0.00 55.73 55.82 1is5 s ARG 3 Cb 0.00 -1.94 -0.03 0.00 -0.57 0.00 0.00 34.95 32.41 1is5 s ARG 3 CO 0.00 -1.45 0.62 0.00 -1.08 0.00 0.00 175.30 173.39 1is5 s ALA 4 N -3.11 3.45 0.02 7.88 0.00 -1.14 -4.95 121.76 123.91 1is5 s ALA 4 Ca 0.60 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.49 1is5 s ALA 4 Cb -0.14 -2.89 -0.02 0.00 0.00 0.00 0.00 23.12 20.08 1is5 s ALA 4 CO 0.55 -0.25 -0.11 -1.21 0.00 0.00 0.00 175.76 174.74 1is5 s GLU 5 N 1.18 0.77 -0.18 0.00 2.02 -1.26 -1.45 118.70 119.78 1is5 s GLU 5 Ca 0.31 -0.55 0.00 0.00 0.02 0.00 0.00 54.97 54.75 1is5 s GLU 5 Cb -0.16 -0.72 0.04 0.00 0.10 0.00 0.00 34.13 33.38 1is5 s GLU 5 CO 0.13 0.18 -0.08 0.08 0.02 0.00 0.00 175.26 175.60 1is5 s VAL 6 N -0.64 1.35 -0.06 2.63 1.01 -0.46 -5.00 120.40 119.23 1is5 s VAL 6 Ca 0.01 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.23 1is5 s VAL 6 Cb -0.06 -1.47 0.01 0.00 0.00 0.00 0.00 36.38 34.86 1is5 s VAL 6 CO 0.00 0.16 -0.12 -0.60 0.00 0.00 0.00 175.10 174.55 1is5 s ARG 7 N 1.53 1.58 -1.23 2.72 3.52 -1.26 -1.10 118.95 124.71 1is5 s ARG 7 Ca 0.00 -0.39 0.00 0.00 -0.13 0.00 0.00 55.73 55.22 1is5 s ARG 7 Cb -0.16 -1.33 0.00 0.00 -1.56 0.00 0.00 34.95 31.91 1is5 s ARG 7 CO -0.08 0.03 0.00 0.09 -0.81 0.00 0.00 175.30 174.53 1is5 n ASN 8 N 3.77 -4.32 -4.14 -2.12 5.03 0.22 -4.98 115.26 108.72 1is5 n ASN 8 Ca -0.23 0.06 -0.36 0.00 0.87 0.00 0.00 54.58 54.92 1is5 n ASN 8 Cb 0.52 -3.40 -0.12 0.00 -1.02 0.00 0.00 39.78 35.76 1is5 n ASN 8 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1is5 s ILE 9 N -2.65 3.30 0.09 2.41 1.01 -1.26 -5.07 121.20 119.03 1is5 s ILE 9 Ca 0.00 -1.91 -0.33 0.00 0.00 0.00 0.00 60.65 58.42 1is5 s ILE 9 Cb 0.00 -3.19 -0.12 0.00 0.01 0.00 0.00 42.46 39.16 1is5 s ILE 9 CO 0.00 -0.59 1.77 -2.65 0.00 0.00 0.00 174.94 173.47 1is5 n PRO 10 N 4.62 2.46 -3.05 2.79 -0.02 -1.26 -4.81 135.00 135.73 1is5 n PRO 10 Ca -0.04 0.89 -0.44 0.00 -2.02 0.00 0.00 63.50 61.89 1is5 n PRO 10 Cb 0.42 -2.74 -0.05 0.00 -0.02 0.00 0.00 33.50 31.11 1is5 n PRO 10 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1is5 s PHE 11 N 2.44 2.93 0.33 6.00 5.36 0.39 -4.90 117.98 130.52 1is5 s PHE 11 Ca 0.83 -0.62 0.07 0.00 -0.96 0.00 0.00 56.93 56.26 1is5 s PHE 11 Cb -0.59 -3.91 -0.03 0.00 -0.34 0.00 0.00 43.02 38.16 1is5 s PHE 11 CO 0.41 -1.28 0.30 0.15 -1.46 0.00 0.00 175.22 173.34 1is5 s LYS 12 N 3.08 2.77 -0.12 10.12 1.02 -1.26 -1.17 119.74 134.18 1is5 s LYS 12 Ca 0.17 -1.26 -0.37 0.00 0.02 0.00 0.00 55.97 54.53 1is5 s LYS 12 Cb -0.20 -2.51 -0.15 0.00 -0.52 0.00 0.00 37.83 34.46 1is5 s LYS 12 CO 0.10 0.11 1.69 -0.11 -0.92 0.00 0.00 175.35 176.22 1is5 n LEU 13 N -1.38 2.59 0.00 3.17 7.94 -1.04 -1.64 117.00 126.64 1is5 n LEU 13 Ca -0.02 1.06 0.00 0.00 -1.11 0.00 0.00 56.01 55.94 1is5 n LEU 13 Cb 0.60 -1.24 0.00 0.00 0.53 0.00 0.00 43.42 43.31 1is5 n LEU 13 CO 0.42 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.88 1is5 n GLY 14 N 3.86 0.90 3.94 -3.96 0.00 -1.24 -5.06 105.19 103.63 1is5 n GLY 14 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.01 1is5 n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1is5 s MET 15 N -0.49 3.35 -0.01 1.61 -1.94 -0.65 -5.07 119.30 116.09 1is5 s MET 15 Ca 0.00 -0.27 0.06 0.00 -1.71 0.00 0.00 55.69 53.78 1is5 s MET 15 Cb 0.00 -2.56 -0.02 0.00 2.01 0.00 0.00 34.83 34.26 1is5 s MET 15 CO 0.00 -0.08 -0.20 0.71 -0.01 0.00 0.00 175.02 175.44 1is5 s TYR 16 N -2.50 1.76 -0.17 -0.03 1.51 -1.26 -4.55 117.35 112.12 1is5 s TYR 16 Ca 0.44 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 56.17 1is5 s TYR 16 Cb -0.10 -1.13 0.00 0.00 -0.11 0.00 0.00 41.96 40.63 1is5 s TYR 16 CO 0.39 -0.02 -0.15 -1.17 -1.11 0.00 0.00 175.55 173.49 1is5 s LEU 17 N -0.53 2.44 -0.13 -1.29 2.96 -0.51 -2.07 118.68 119.55 1is5 s LEU 17 Ca 0.08 -0.50 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 1is5 s LEU 17 Cb -0.08 -1.56 0.01 0.00 0.50 0.00 0.00 46.19 45.06 1is5 s LEU 17 CO -0.01 0.06 -0.22 -0.89 -1.32 0.00 0.00 176.35 173.98 1is5 s THR 18 N 0.98 1.98 0.05 3.68 2.01 -0.15 -0.54 115.64 123.65 1is5 s THR 18 Ca -0.02 -0.94 0.09 0.00 0.31 0.00 0.00 61.69 61.12 1is5 s THR 18 Cb -0.15 -1.75 -0.03 0.00 0.01 0.00 0.00 72.50 70.58 1is5 s THR 18 CO -0.03 0.54 -0.25 0.68 -0.69 0.00 0.00 174.62 174.87 1is5 s VAL 19 N 0.73 2.03 0.11 3.82 -7.23 -0.34 -0.98 120.40 118.54 1is5 s VAL 19 Ca -0.10 -1.38 0.06 0.00 -1.81 0.00 0.00 61.98 58.75 1is5 s VAL 19 Cb -0.16 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1is5 s VAL 19 CO 0.00 0.29 -0.15 -0.83 -0.31 0.00 0.00 175.10 174.11 1is5 s GLY 20 N -1.31 1.07 0.00 2.32 0.00 -0.94 -1.48 107.32 106.97 1is5 s GLY 20 Ca 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 44.72 43.60 1is5 s GLY 20 CO 0.02 -1.27 0.00 0.61 0.00 0.00 0.00 173.10 172.46 1is5 n GLY 21 N 0.76 1.49 2.96 0.20 0.00 -0.70 -0.62 105.19 109.28 1is5 n GLY 21 Ca -0.17 -0.79 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 1is5 n GLY 21 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1is5 s VAL 22 N -2.49 0.65 0.21 1.61 1.01 -0.74 -1.18 120.40 119.47 1is5 s VAL 22 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1is5 s VAL 22 Cb 0.00 -0.61 -0.08 0.00 0.00 0.00 0.00 36.38 35.69 1is5 s VAL 22 CO 0.00 0.22 0.99 -0.69 0.00 0.00 0.00 175.10 175.62 1is5 s VAL 23 N 0.41 4.05 0.63 2.92 1.01 -0.20 -2.15 120.40 127.08 1is5 s VAL 23 Ca -0.06 1.93 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 1is5 s VAL 23 Cb -0.10 -4.23 -0.01 0.00 0.00 0.00 0.00 36.38 32.04 1is5 s VAL 23 CO 0.00 0.41 1.19 0.20 0.00 0.00 0.00 175.10 176.90 1is5 s ASN 24 N -0.71 4.95 0.57 3.32 0.02 -0.55 -1.15 114.94 121.38 1is5 s ASN 24 Ca 0.44 2.32 -0.19 0.00 -1.02 0.00 0.00 52.86 54.42 1is5 s ASN 24 Cb -0.27 -2.59 -0.04 0.00 0.02 0.00 0.00 41.25 38.37 1is5 s ASN 24 CO 0.33 -1.75 1.17 -0.44 0.02 0.00 0.00 177.10 176.43 1is5 s SER 25 N -1.84 5.42 -1.64 -1.22 0.01 -1.26 -2.80 113.70 110.37 1is5 s SER 25 Ca 0.75 2.28 0.00 0.00 1.31 0.00 0.00 55.95 60.29 1is5 s SER 25 Cb -0.29 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.36 1is5 s SER 25 CO 0.37 -1.43 0.00 0.59 0.41 0.00 0.00 173.24 173.18 1is5 n ASN 26 N -1.50 -5.28 -4.77 2.44 3.02 -1.26 -4.92 115.26 102.99 1is5 n ASN 26 Ca 0.13 0.38 -0.40 0.00 -0.03 0.00 0.00 54.58 54.66 1is5 n ASN 26 Cb 0.50 -4.14 0.01 0.00 -0.61 0.00 0.00 39.78 35.54 1is5 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1is5 s ALA 27 N -2.44 3.33 -0.18 5.41 0.00 -1.12 -4.95 121.76 121.81 1is5 s ALA 27 Ca 0.00 1.45 -0.15 0.00 0.00 0.00 0.00 51.96 53.26 1is5 s ALA 27 Cb 0.00 -3.58 -0.11 0.00 0.00 0.00 0.00 23.12 19.44 1is5 s ALA 27 CO 0.00 -1.09 -0.02 2.41 0.00 0.00 0.00 175.76 177.05 1is5 n THR 28 N 0.03 1.48 -3.50 0.00 -1.04 -1.26 -4.48 114.28 105.51 1is5 n THR 28 Ca 0.04 0.08 -0.09 0.00 -2.04 0.00 0.00 64.05 62.04 1is5 n THR 28 Cb 0.41 -2.21 -0.02 0.00 -1.82 0.00 0.00 70.33 66.69 1is5 n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1is5 s ARG 29 N -2.34 0.89 0.10 -2.82 1.70 -1.26 -0.81 118.95 114.42 1is5 s ARG 29 Ca -0.23 -0.33 -0.12 0.00 -0.47 0.00 0.00 55.73 54.58 1is5 s ARG 29 Cb 0.04 0.40 0.01 0.00 -0.57 0.00 0.00 34.95 34.84 1is5 s ARG 29 CO 0.40 -0.39 0.28 -0.59 -1.08 0.00 0.00 175.30 173.93 1is5 s PHE 30 N -3.20 -0.01 0.09 5.89 -0.71 -1.00 -0.85 117.98 118.18 1is5 s PHE 30 Ca 0.05 -0.36 0.01 0.00 -1.04 0.00 0.00 56.93 55.59 1is5 s PHE 30 Cb -0.01 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.84 1is5 s PHE 30 CO -0.09 -0.61 -0.06 -1.54 -1.34 0.00 0.00 175.22 171.58 1is5 s SER 31 N -2.79 1.03 -0.08 1.98 1.04 -0.12 -0.56 113.70 114.19 1is5 s SER 31 Ca 0.04 -0.96 0.01 0.00 0.48 0.00 0.00 55.95 55.52 1is5 s SER 31 Cb 0.03 0.10 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 1is5 s SER 31 CO -0.11 -0.45 -0.10 -0.63 0.98 0.00 0.00 173.24 172.92 1is5 s ILE 32 N -3.42 3.38 -0.05 -1.02 1.01 -0.77 -2.09 121.20 118.24 1is5 s ILE 32 Ca 0.09 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.17 1is5 s ILE 32 Cb 0.04 -2.38 0.02 0.00 0.01 0.00 0.00 42.46 40.15 1is5 s ILE 32 CO -0.05 0.57 -0.08 0.20 0.00 0.00 0.00 174.94 175.58 1is5 s ASN 33 N -0.45 1.36 -0.11 3.58 0.01 0.38 -1.20 114.94 118.50 1is5 s ASN 33 Ca 0.06 -0.21 0.02 0.00 -0.71 0.00 0.00 52.86 52.02 1is5 s ASN 33 Cb -0.12 -0.64 0.01 0.00 0.41 0.00 0.00 41.25 40.91 1is5 s ASN 33 CO 0.02 -0.01 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.73 1is5 s VAL 34 N 0.79 1.68 0.00 1.60 1.01 -0.12 -1.63 120.40 123.72 1is5 s VAL 34 Ca -0.13 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.09 1is5 s VAL 34 Cb -0.15 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1is5 s VAL 34 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1is5 n GLY 35 N 4.07 1.75 0.01 4.51 0.00 -0.54 -0.63 105.19 114.36 1is5 n GLY 35 Ca -0.19 0.03 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 1is5 n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1is5 n GLU 36 N 0.00 3.34 -3.84 1.61 4.71 -0.09 -1.48 120.64 124.89 1is5 n GLU 36 Ca 0.00 -0.00 -0.05 0.00 -0.01 0.00 0.00 57.16 57.10 1is5 n GLU 36 Cb 0.00 -1.03 0.01 0.00 -1.01 0.00 0.00 31.44 29.41 1is5 n GLU 36 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1is5 s SER 37 N -3.05 -0.04 0.25 1.62 1.04 -0.83 -4.55 113.70 108.14 1is5 s SER 37 Ca -0.01 -0.74 0.24 0.00 0.48 0.00 0.00 55.95 55.93 1is5 s SER 37 Cb 0.00 0.59 0.96 0.00 0.10 0.00 0.00 66.02 67.68 1is5 s SER 37 CO 0.06 -1.16 1.72 0.35 0.98 0.00 0.00 173.24 175.18 1is5 n THR 38 N -0.60 0.80 -0.18 2.02 -2.24 -1.26 -2.50 114.28 110.32 1is5 n THR 38 Ca -0.05 0.18 0.10 0.00 -2.27 0.00 0.00 64.05 62.00 1is5 n THR 38 Cb 0.60 -1.10 0.24 0.00 -2.10 0.00 0.00 70.33 67.97 1is5 n THR 38 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1is5 n ASP 39 N -2.23 3.49 -3.39 3.42 4.64 -1.26 -4.78 116.55 116.43 1is5 n ASP 39 Ca 0.02 -1.98 -0.18 0.00 -1.38 0.00 0.00 54.79 51.28 1is5 n ASP 39 Cb 0.25 -0.35 -0.09 0.00 -1.04 0.00 0.00 41.12 39.88 1is5 n ASP 39 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 1is5 s SER 40 N -1.07 1.61 -0.16 1.67 0.15 -1.04 -2.65 113.70 112.20 1is5 s SER 40 Ca 0.38 -1.06 0.01 0.00 0.70 0.00 0.00 55.95 55.98 1is5 s SER 40 Cb 0.20 0.48 0.03 0.00 -1.71 0.00 0.00 66.02 65.01 1is5 s SER 40 CO 0.27 -0.35 -0.14 -0.63 1.20 0.00 0.00 173.24 173.58 1is5 s ILE 41 N 2.04 1.67 0.11 6.45 1.01 -0.65 -0.91 121.20 130.92 1is5 s ILE 41 Ca 0.12 -0.75 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1is5 s ILE 41 Cb -0.15 -1.59 -0.23 0.00 0.01 0.00 0.00 42.46 40.51 1is5 s ILE 41 CO -0.23 0.42 1.24 0.00 0.00 0.00 0.00 174.94 176.37 1is5 h ALA 42 N 8.02 0.28 -3.14 9.38 0.00 -1.14 -1.41 119.26 131.24 1is5 h ALA 42 Ca -0.38 -0.89 -0.47 0.00 0.00 0.00 0.00 54.91 53.17 1is5 h ALA 42 Cb 1.13 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.41 1is5 h ALA 42 CO 0.54 1.15 -0.75 1.41 0.00 0.00 0.00 179.25 181.59 1is5 s MET 43 N -2.72 0.27 -0.21 0.00 -2.45 -0.65 -4.53 119.30 109.01 1is5 s MET 43 Ca -0.01 -0.16 -0.05 0.00 -1.25 0.00 0.00 55.69 54.22 1is5 s MET 43 Cb 0.09 -1.82 -0.02 0.00 1.25 0.00 0.00 34.83 34.33 1is5 s MET 43 CO 0.84 -0.63 -0.00 -1.58 1.05 0.00 0.00 175.02 174.70 1is5 s HIS 44 N 2.04 3.03 -0.30 4.11 2.46 0.08 -0.95 115.29 125.77 1is5 s HIS 44 Ca 0.01 -0.54 0.02 0.00 0.47 0.00 0.00 55.06 55.01 1is5 s HIS 44 Cb -0.16 -2.10 0.07 0.00 -0.13 0.00 0.00 32.58 30.26 1is5 s HIS 44 CO -0.08 -0.31 -0.02 1.41 -2.47 0.00 0.00 174.74 173.27 1is5 s MET 45 N 1.16 2.10 -0.13 2.88 -2.45 -0.34 -1.54 119.30 120.98 1is5 s MET 45 Ca 0.03 -1.48 -0.06 0.00 -1.25 0.00 0.00 55.69 52.92 1is5 s MET 45 Cb -0.14 -3.09 -0.04 0.00 1.25 0.00 0.00 34.83 32.81 1is5 s MET 45 CO 0.01 -0.70 0.09 0.34 1.05 0.00 0.00 175.02 175.81 1is5 s ASP 46 N 1.16 5.94 -0.33 1.11 2.15 0.62 -1.84 116.67 125.48 1is5 s ASP 46 Ca -0.02 0.29 -0.01 0.00 0.43 0.00 0.00 52.55 53.24 1is5 s ASP 46 Cb -0.20 -1.90 0.07 0.00 -0.30 0.00 0.00 42.92 40.59 1is5 s ASP 46 CO -0.05 0.33 0.04 -1.00 -0.17 0.00 0.00 175.17 174.33 1is5 s HIS 47 N -0.58 3.39 -0.39 -5.34 3.76 0.27 -1.49 115.29 114.90 1is5 s HIS 47 Ca 0.12 -2.15 -0.11 0.00 -0.15 0.00 0.00 55.06 52.76 1is5 s HIS 47 Cb -0.12 -2.44 0.04 0.00 1.11 0.00 0.00 32.58 31.17 1is5 s HIS 47 CO 0.02 -0.86 0.24 1.03 -0.85 0.00 0.00 174.74 174.32 1is5 s ARG 48 N 1.18 2.80 -0.09 1.40 0.52 0.06 -2.39 118.95 122.44 1is5 s ARG 48 Ca -0.01 -1.17 -0.19 0.00 -0.52 0.00 0.00 55.73 53.84 1is5 s ARG 48 Cb -0.20 -3.79 -0.28 0.00 0.52 0.00 0.00 34.95 31.19 1is5 s ARG 48 CO -0.03 -0.78 0.69 0.74 0.02 0.00 0.00 175.30 175.94 1is5 h PHE 49 N 8.47 0.43 -1.28 -0.53 -1.00 -1.24 0.19 116.94 121.98 1is5 h PHE 49 Ca -0.25 -0.32 0.01 0.00 2.81 0.00 0.00 57.97 60.23 1is5 h PHE 49 Cb 1.10 -0.02 -0.24 0.00 3.61 0.00 0.00 35.95 40.41 1is5 h PHE 49 CO 0.58 1.42 -0.34 0.45 -1.61 0.00 0.00 178.31 178.81 1is5 s SER 50 N -6.95 -0.87 -0.24 2.17 0.15 -0.71 -2.86 113.70 104.39 1is5 s SER 50 Ca -0.18 0.67 -0.03 0.00 0.70 0.00 0.00 55.95 57.11 1is5 s SER 50 Cb 0.03 1.83 0.11 0.00 -1.71 0.00 0.00 66.02 66.28 1is5 s SER 50 CO 0.78 -0.27 0.27 -0.47 1.20 0.00 0.00 173.24 174.75 1is5 s TYR 51 N 2.76 -0.43 0.00 3.44 5.04 0.23 -4.65 117.35 123.74 1is5 s TYR 51 Ca 0.18 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 55.02 1is5 s TYR 51 Cb -0.15 -0.33 0.00 0.00 0.35 0.00 0.00 41.96 41.83 1is5 s TYR 51 CO -0.19 -0.72 0.00 0.41 -1.34 0.00 0.00 175.55 173.70 1is5 n GLY 52 N 5.32 3.16 0.29 8.97 0.00 -1.26 -0.92 105.19 120.76 1is5 n GLY 52 Ca -0.04 -0.16 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1is5 n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1is5 n ALA 53 N 11.67 2.88 -2.70 4.61 0.00 -1.26 -4.88 120.51 130.83 1is5 n ALA 53 Ca 0.00 -0.39 -0.38 0.00 0.00 0.00 0.00 53.44 52.66 1is5 n ALA 53 Cb 0.00 -1.18 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 1is5 n ALA 53 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1is5 s ASP 54 N -2.34 6.61 -0.04 0.00 1.01 -0.10 -5.05 116.67 116.76 1is5 s ASP 54 Ca 0.30 0.73 -0.01 0.00 0.71 0.00 0.00 52.55 54.27 1is5 s ASP 54 Cb 0.20 -2.28 0.03 0.00 1.01 0.00 0.00 42.92 41.88 1is5 s ASP 54 CO 0.45 -0.05 0.04 -1.10 0.21 0.00 0.00 175.17 174.72 1is5 s GLN 55 N 0.96 0.12 -1.11 8.23 -0.21 -1.26 -0.60 119.66 125.79 1is5 s GLN 55 Ca 0.24 0.26 -0.13 0.00 0.02 0.00 0.00 55.36 55.75 1is5 s GLN 55 Cb -0.15 -0.57 -0.03 0.00 1.00 0.00 0.00 33.01 33.26 1is5 s GLN 55 CO 0.09 -0.28 0.84 0.09 -2.12 0.00 0.00 175.29 173.92 1is5 n ASN 56 N 4.97 -5.60 -4.04 5.90 3.02 0.57 -4.98 115.26 115.10 1is5 n ASN 56 Ca -0.10 -0.87 -0.15 0.00 -0.03 0.00 0.00 54.58 53.42 1is5 n ASN 56 Cb 0.50 -4.20 -0.13 0.00 -0.61 0.00 0.00 39.78 35.34 1is5 n ASN 56 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1is5 s VAL 57 N -3.45 0.59 -0.12 2.41 0.11 -0.64 -4.80 120.40 114.50 1is5 s VAL 57 Ca 0.44 -0.76 -0.14 0.00 -2.93 0.00 0.00 61.98 58.59 1is5 s VAL 57 Cb -0.11 -0.58 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 1is5 s VAL 57 CO 0.81 -0.14 0.32 -0.76 -3.33 0.00 0.00 175.10 171.99 1is5 s LEU 58 N -0.99 4.31 -0.09 2.54 1.43 -0.02 -0.76 118.68 125.09 1is5 s LEU 58 Ca -0.04 0.62 0.02 0.00 -1.03 0.00 0.00 54.13 53.71 1is5 s LEU 58 Cb -0.07 -2.41 0.01 0.00 0.03 0.00 0.00 46.19 43.75 1is5 s LEU 58 CO 0.00 0.17 -0.15 -0.69 0.23 0.00 0.00 176.35 175.91 1is5 s VAL 59 N 0.01 1.41 -0.03 -1.59 1.01 -0.56 -0.36 120.40 120.30 1is5 s VAL 59 Ca 0.19 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1is5 s VAL 59 Cb -0.14 -1.28 -0.03 0.00 0.00 0.00 0.00 36.38 34.93 1is5 s VAL 59 CO 0.06 0.42 -0.08 -0.76 0.00 0.00 0.00 175.10 174.75 1is5 s LEU 60 N 0.83 3.11 0.34 3.92 1.02 0.15 -0.28 118.68 127.77 1is5 s LEU 60 Ca -0.10 -0.10 -0.17 0.00 0.02 0.00 0.00 54.13 53.77 1is5 s LEU 60 Cb -0.15 -1.73 0.06 0.00 0.02 0.00 0.00 46.19 44.39 1is5 s LEU 60 CO 0.01 0.32 0.87 0.21 0.02 0.00 0.00 176.35 177.79 1is5 s ASN 61 N -1.09 0.03 0.12 2.29 3.84 -0.59 -0.90 114.94 118.65 1is5 s ASN 61 Ca 0.14 -1.07 0.06 0.00 0.21 0.00 0.00 52.86 52.20 1is5 s ASN 61 Cb -0.11 0.76 -0.04 0.00 -0.55 0.00 0.00 41.25 41.32 1is5 s ASN 61 CO 0.04 -1.53 -0.14 -0.94 -2.79 0.00 0.00 177.10 171.75 1is5 s SER 62 N -3.20 1.98 -0.13 -4.21 1.04 -1.26 -0.74 113.70 107.17 1is5 s SER 62 Ca 0.18 -0.81 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1is5 s SER 62 Cb -0.04 -0.06 0.02 0.00 0.10 0.00 0.00 66.02 66.03 1is5 s SER 62 CO 0.10 -0.15 -0.13 -0.22 0.98 0.00 0.00 173.24 173.82 1is5 s LEU 63 N -2.46 1.59 -0.19 2.42 2.96 -0.53 -1.67 118.68 120.80 1is5 s LEU 63 Ca 0.09 -0.43 -0.12 0.00 -0.22 0.00 0.00 54.13 53.44 1is5 s LEU 63 Cb -0.05 -1.08 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 1is5 s LEU 63 CO 0.03 -0.05 0.22 -0.69 -1.32 0.00 0.00 176.35 174.54 1is5 s VAL 64 N 1.42 5.34 -0.16 1.68 1.01 -0.29 -1.63 120.40 127.78 1is5 s VAL 64 Ca 0.02 0.38 -0.40 0.00 0.00 0.00 0.00 61.98 61.99 1is5 s VAL 64 Cb -0.13 -3.56 -0.17 0.00 0.00 0.00 0.00 36.38 32.52 1is5 s VAL 64 CO -0.08 0.39 1.54 1.57 0.00 0.00 0.00 175.10 178.52 1is5 n HIS 65 N 3.72 1.73 -1.39 5.22 -0.00 -1.09 -0.40 115.22 123.01 1is5 n HIS 65 Ca -0.13 0.67 -0.14 0.00 0.46 0.00 0.00 57.72 58.57 1is5 n HIS 65 Cb 0.52 -2.37 -0.06 0.00 -0.12 0.00 0.00 29.99 27.96 1is5 n HIS 65 CO 0.00 0.00 0.00 -1.71 0.46 0.00 0.00 176.34 175.09 1is5 n ASN 66 N 3.98 -4.29 0.04 0.26 4.05 -1.26 -4.72 115.26 113.33 1is5 n ASN 66 Ca 0.24 0.36 0.00 0.00 0.45 0.00 0.00 54.58 55.62 1is5 n ASN 66 Cb 0.13 -3.75 0.00 0.00 1.23 0.00 0.00 39.78 37.39 1is5 n ASN 66 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1is5 n VAL 67 N -2.01 0.49 0.00 3.44 0.31 0.23 -5.17 118.33 115.62 1is5 n VAL 67 Ca -0.14 0.16 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1is5 n VAL 67 Cb 0.51 -1.28 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1is5 n VAL 67 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1is5 n GLY 68 N 2.82 0.83 3.78 2.92 0.00 0.46 -4.94 105.19 111.06 1is5 n GLY 68 Ca 0.00 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.49 1is5 n GLY 68 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1is5 s TRP 69 N -0.94 2.70 0.00 1.61 0.52 -1.26 -1.13 118.94 120.44 1is5 s TRP 69 Ca 0.00 1.55 0.00 0.00 0.02 0.00 0.00 56.10 57.67 1is5 s TRP 69 Cb 0.00 -3.27 0.00 0.00 -1.15 0.00 0.00 33.47 29.05 1is5 s TRP 69 CO 0.00 -1.51 0.00 1.04 0.02 0.00 0.00 176.95 176.50 1is5 n GLN 70 N -1.26 3.83 -2.46 4.98 1.13 -0.67 -4.93 117.38 118.01 1is5 n GLN 70 Ca 0.11 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.75 1is5 n GLN 70 Cb 0.51 0.00 -0.02 0.00 0.11 0.00 0.00 30.24 30.84 1is5 n GLN 70 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1is5 s GLN 71 N 3.97 4.19 0.39 -1.09 2.00 -1.26 -4.88 119.66 122.97 1is5 s GLN 71 Ca 0.00 1.55 -0.26 0.00 -2.00 0.00 0.00 55.36 54.65 1is5 s GLN 71 Cb 0.00 -3.77 -0.09 0.00 0.80 0.00 0.00 33.01 29.95 1is5 s GLN 71 CO 0.00 -0.76 1.29 -1.21 -0.50 0.00 0.00 175.29 174.11 1is5 s GLU 72 N 3.56 4.04 -0.02 1.67 2.02 -1.26 -4.74 118.70 123.97 1is5 s GLU 72 Ca 0.53 2.14 0.05 0.00 0.02 0.00 0.00 54.97 57.72 1is5 s GLU 72 Cb -0.20 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 1is5 s GLU 72 CO 0.15 -0.43 -0.17 -1.21 0.02 0.00 0.00 175.26 173.61 1is5 s GLU 73 N -2.17 2.31 0.14 1.61 2.02 -0.08 -4.97 118.70 117.56 1is5 s GLU 73 Ca 0.56 -0.82 0.10 0.00 0.02 0.00 0.00 54.97 54.82 1is5 s GLU 73 Cb -0.38 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.55 1is5 s GLU 73 CO 0.49 0.59 -0.23 1.03 0.02 0.00 0.00 175.26 177.16 1is5 s ARG 74 N -0.91 1.30 -0.01 1.61 0.52 -1.26 -0.67 118.95 119.54 1is5 s ARG 74 Ca 0.12 -1.33 0.01 0.00 -0.52 0.00 0.00 55.73 54.02 1is5 s ARG 74 Cb -0.10 -1.60 -0.00 0.00 0.52 0.00 0.00 34.95 33.76 1is5 s ARG 74 CO 0.02 0.36 -0.05 0.45 0.02 0.00 0.00 175.30 176.10 1is5 s SER 75 N -2.24 0.59 0.39 0.23 0.15 0.51 -4.98 113.70 108.35 1is5 s SER 75 Ca 0.13 -0.09 0.21 0.00 0.70 0.00 0.00 55.95 56.90 1is5 s SER 75 Cb -0.09 -0.09 0.58 0.00 -1.71 0.00 0.00 66.02 64.72 1is5 s SER 75 CO 0.06 0.05 1.68 0.07 1.20 0.00 0.00 173.24 176.30 1is5 h LYS 76 N 6.13 0.00 -6.25 5.44 5.09 -1.91 -0.02 116.57 125.04 1is5 h LYS 76 Ca -0.29 0.00 -0.56 0.00 0.09 0.00 0.00 60.65 59.90 1is5 h LYS 76 Cb 1.19 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.51 1is5 h LYS 76 CO 0.50 0.29 1.18 0.15 -2.09 0.00 0.00 179.45 179.47 1is5 s LYS 77 N -3.38 3.91 -0.43 0.07 1.02 -1.26 -4.88 119.74 114.79 1is5 s LYS 77 Ca 0.02 2.06 0.07 0.00 0.02 0.00 0.00 55.97 58.14 1is5 s LYS 77 Cb 0.09 -4.08 0.23 0.00 -0.52 0.00 0.00 37.83 33.54 1is5 s LYS 77 CO 0.67 -1.17 0.59 0.34 -0.92 0.00 0.00 175.35 174.86 1is5 n PHE 78 N 8.21 -1.56 -1.42 3.18 -0.00 -1.26 -4.54 117.46 120.08 1is5 n PHE 78 Ca 0.20 -2.85 -0.28 0.00 -0.00 0.00 0.00 57.45 54.52 1is5 n PHE 78 Cb 0.44 0.42 -0.07 0.00 -0.00 0.00 0.00 39.48 40.26 1is5 n PHE 78 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.76 176.41 1is5 n PRO 79 N 1.91 3.03 -4.77 -7.13 -0.04 -1.26 -4.91 135.00 121.83 1is5 n PRO 79 Ca 0.20 -2.16 -0.26 0.00 -0.04 0.00 0.00 63.50 61.24 1is5 n PRO 79 Cb 0.55 -2.34 -0.15 0.00 -0.04 0.00 0.00 33.50 31.52 1is5 n PRO 79 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1is5 s PHE 80 N 0.02 1.76 -0.03 0.54 0.08 -1.26 -4.89 117.98 114.19 1is5 s PHE 80 Ca 0.63 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 57.35 1is5 s PHE 80 Cb 0.28 -1.09 0.00 0.00 -0.57 0.00 0.00 43.02 41.65 1is5 s PHE 80 CO -0.10 0.03 -0.09 0.99 -0.10 0.00 0.00 175.22 175.95 1is5 s THR 81 N -0.64 0.80 0.36 0.64 2.01 -1.26 -5.09 115.64 112.46 1is5 s THR 81 Ca 0.07 -0.36 -0.28 0.00 0.31 0.00 0.00 61.69 61.43 1is5 s THR 81 Cb -0.08 -0.71 -0.12 0.00 0.01 0.00 0.00 72.50 71.60 1is5 s THR 81 CO 0.01 0.25 1.40 0.29 -0.69 0.00 0.00 174.62 175.87 1is5 n LYS 82 N 3.33 2.42 0.00 4.92 5.02 -1.26 -1.40 118.16 131.18 1is5 n LYS 82 Ca -0.19 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 1is5 n LYS 82 Cb 0.54 -2.51 0.00 0.00 -0.02 0.00 0.00 35.03 33.04 1is5 n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1is5 n GLY 83 N 0.60 2.53 3.83 0.72 0.00 -0.30 -4.81 105.19 107.75 1is5 n GLY 83 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1is5 n GLY 83 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1is5 s ASP 84 N -2.65 5.23 0.65 1.61 -0.00 -0.50 -4.70 116.67 116.31 1is5 s ASP 84 Ca 0.00 -0.50 -0.16 0.00 -0.00 0.00 0.00 52.55 51.89 1is5 s ASP 84 Cb 0.00 -1.00 -0.01 0.00 -0.00 0.00 0.00 42.92 41.91 1is5 s ASP 84 CO 0.00 -0.29 1.14 -1.00 -0.00 0.00 0.00 175.17 175.01 1is5 s HIS 85 N -2.30 2.51 0.11 4.23 3.76 -1.26 -1.04 115.29 121.30 1is5 s HIS 85 Ca 0.39 1.56 -0.05 0.00 -0.15 0.00 0.00 55.06 56.81 1is5 s HIS 85 Cb -0.06 -3.27 -0.02 0.00 1.11 0.00 0.00 32.58 30.34 1is5 s HIS 85 CO 0.26 -1.87 0.13 -0.59 -0.85 0.00 0.00 174.74 171.82 1is5 s PHE 86 N -2.12 0.46 -0.14 1.40 -0.71 -0.32 -4.82 117.98 111.74 1is5 s PHE 86 Ca 0.70 -0.88 -0.07 0.00 -1.04 0.00 0.00 56.93 55.64 1is5 s PHE 86 Cb -0.23 -0.23 0.05 0.00 -1.21 0.00 0.00 43.02 41.40 1is5 s PHE 86 CO 0.39 -0.55 0.32 -1.14 -1.34 0.00 0.00 175.22 172.90 1is5 s GLN 87 N -3.94 0.29 -0.01 1.99 0.74 -1.26 -1.73 119.66 115.74 1is5 s GLN 87 Ca 0.13 0.66 0.01 0.00 0.05 0.00 0.00 55.36 56.21 1is5 s GLN 87 Cb 0.06 -0.07 -0.00 0.00 1.10 0.00 0.00 33.01 34.10 1is5 s GLN 87 CO -0.05 -0.17 -0.05 0.99 -0.55 0.00 0.00 175.29 175.46 1is5 s THR 88 N 1.40 0.39 -0.04 -0.34 2.01 -0.55 -2.32 115.64 116.19 1is5 s THR 88 Ca -0.09 -0.19 0.07 0.00 0.31 0.00 0.00 61.69 61.79 1is5 s THR 88 Cb -0.10 -0.35 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 1is5 s THR 88 CO -0.10 0.12 -0.25 -0.89 -0.69 0.00 0.00 174.62 172.81 1is5 s THR 89 N 0.01 2.12 -0.02 -0.82 2.01 -0.91 -1.19 115.64 116.83 1is5 s THR 89 Ca 0.00 -1.07 0.04 0.00 0.31 0.00 0.00 61.69 60.98 1is5 s THR 89 Cb -0.03 -1.75 -0.00 0.00 0.01 0.00 0.00 72.50 70.72 1is5 s THR 89 CO -0.00 0.58 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.74 1is5 s ILE 90 N -0.41 1.08 0.17 1.82 1.01 0.30 -0.97 121.20 124.19 1is5 s ILE 90 Ca 0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 60.07 1is5 s ILE 90 Cb -0.12 -0.92 -0.02 0.00 0.01 0.00 0.00 42.46 41.41 1is5 s ILE 90 CO 0.01 0.32 0.23 0.28 0.00 0.00 0.00 174.94 175.78 1is5 s THR 91 N -0.06 0.06 0.11 2.92 -1.32 -0.79 -1.42 115.64 115.14 1is5 s THR 91 Ca 0.00 -1.57 -0.16 0.00 -1.21 0.00 0.00 61.69 58.75 1is5 s THR 91 Cb -0.08 -1.98 0.03 0.00 -1.51 0.00 0.00 72.50 68.96 1is5 s THR 91 CO 0.00 -0.28 0.40 0.72 -2.21 0.00 0.00 174.62 173.26 1is5 s PHE 92 N -4.01 -0.21 0.00 9.09 -0.71 -1.26 -0.27 117.98 120.61 1is5 s PHE 92 Ca 0.21 -0.04 0.00 0.00 -1.04 0.00 0.00 56.93 56.06 1is5 s PHE 92 Cb 0.04 0.25 0.00 0.00 -1.21 0.00 0.00 43.02 42.10 1is5 s PHE 92 CO 0.02 -0.67 0.00 -0.40 -1.34 0.00 0.00 175.22 172.83 1is5 n ASP 93 N -0.05 1.82 0.00 1.98 3.85 -0.64 -3.62 116.55 119.89 1is5 n ASP 93 Ca -0.17 -0.57 0.10 0.00 -0.71 0.00 0.00 54.79 53.44 1is5 n ASP 93 Cb 0.63 0.00 0.48 0.00 -1.35 0.00 0.00 41.12 40.88 1is5 n ASP 93 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1is5 n THR 94 N 0.00 0.48 -0.05 2.12 -2.24 -1.26 -3.47 114.28 109.86 1is5 n THR 94 Ca 0.00 0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.87 1is5 n THR 94 Cb 0.00 -0.78 -0.09 0.00 -2.10 0.00 0.00 70.33 67.36 1is5 n THR 94 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1is5 n HIS 95 N -1.38 0.00 -3.84 4.78 8.25 -1.26 -4.27 115.22 117.49 1is5 n HIS 95 Ca 0.08 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.41 1is5 n HIS 95 Cb 0.20 -0.53 -0.13 0.00 1.12 0.00 0.00 29.99 30.65 1is5 n HIS 95 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1is5 s THR 96 N -2.40 0.00 -0.17 1.59 2.01 -1.23 -0.76 115.64 114.68 1is5 s THR 96 Ca -0.06 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 61.79 1is5 s THR 96 Cb 0.04 -0.12 -0.04 0.00 0.01 0.00 0.00 72.50 72.39 1is5 s THR 96 CO 0.49 -0.00 0.35 -0.36 -0.69 0.00 0.00 174.62 174.41 1is5 s PHE 97 N 0.03 3.43 -0.26 4.92 0.08 0.88 -1.62 117.98 125.44 1is5 s PHE 97 Ca -0.00 0.63 -0.07 0.00 0.12 0.00 0.00 56.93 57.60 1is5 s PHE 97 Cb -0.01 -2.43 -0.02 0.00 -0.57 0.00 0.00 43.02 39.99 1is5 s PHE 97 CO 0.00 0.13 0.08 0.71 -0.10 0.00 0.00 175.22 176.04 1is5 s TYR 98 N 0.81 3.10 -0.04 0.36 1.51 0.63 -1.51 117.35 122.20 1is5 s TYR 98 Ca 0.18 -0.53 0.06 0.00 -1.01 0.00 0.00 57.07 55.77 1is5 s TYR 98 Cb -0.14 -2.25 -0.02 0.00 -0.11 0.00 0.00 41.96 39.44 1is5 s TYR 98 CO 0.06 -0.41 -0.21 0.42 -1.11 0.00 0.00 175.55 174.31 1is5 s ILE 99 N 1.60 2.50 -0.10 2.71 1.01 0.21 -1.89 121.20 127.24 1is5 s ILE 99 Ca 0.06 -0.93 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1is5 s ILE 99 Cb -0.16 -1.93 0.01 0.00 0.01 0.00 0.00 42.46 40.39 1is5 s ILE 99 CO 0.03 0.58 -0.20 -1.58 0.00 0.00 0.00 174.94 173.78 1is5 s GLN 100 N -0.53 2.64 0.63 2.79 0.74 -0.14 -0.52 119.66 125.27 1is5 s GLN 100 Ca 0.07 -0.73 0.01 0.00 0.05 0.00 0.00 55.36 54.76 1is5 s GLN 100 Cb -0.11 -2.07 0.08 0.00 1.10 0.00 0.00 33.01 32.00 1is5 s GLN 100 CO 0.01 0.08 0.88 -0.51 -0.55 0.00 0.00 175.29 175.19 1is5 s LEU 101 N 0.58 3.12 0.29 3.68 1.43 0.24 -2.14 118.68 125.89 1is5 s LEU 101 Ca -0.14 -0.18 0.04 0.00 -1.03 0.00 0.00 54.13 52.81 1is5 s LEU 101 Cb -0.17 -2.45 0.70 0.00 0.03 0.00 0.00 46.19 44.30 1is5 s LEU 101 CO 0.05 -1.47 1.73 0.28 0.23 0.00 0.00 176.35 177.17 1is5 h SER 102 N -0.20 0.49 -0.26 2.29 0.02 -1.78 -1.56 113.55 112.55 1is5 h SER 102 Ca -0.39 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.69 1is5 h SER 102 Cb 1.28 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.89 1is5 h SER 102 CO 0.47 0.11 0.00 -0.46 -1.14 0.00 0.00 176.83 175.81 1is5 n ASN 103 N -4.94 1.70 0.00 3.07 6.94 -1.26 -4.91 115.26 115.86 1is5 n ASN 103 Ca 0.22 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.91 1is5 n ASN 103 Cb 0.60 -0.17 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1is5 n ASN 103 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1is5 n GLY 104 N 1.07 1.12 3.80 4.83 0.00 -0.59 -5.07 105.19 110.35 1is5 n GLY 104 Ca 0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1is5 n GLY 104 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1is5 s GLU 105 N -0.58 3.14 0.20 1.61 2.02 -1.26 -4.70 118.70 119.12 1is5 s GLU 105 Ca 0.00 1.18 0.09 0.00 0.02 0.00 0.00 54.97 56.26 1is5 s GLU 105 Cb 0.00 -2.01 -0.04 0.00 0.10 0.00 0.00 34.13 32.18 1is5 s GLU 105 CO 0.00 -0.95 -0.17 0.95 0.02 0.00 0.00 175.26 175.10 1is5 s THR 106 N -2.57 1.93 0.01 3.63 -4.23 -1.26 -0.59 115.64 112.56 1is5 s THR 106 Ca 0.63 -2.11 0.03 0.00 -1.18 0.00 0.00 61.69 59.05 1is5 s THR 106 Cb -0.16 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.66 1is5 s THR 106 CO 0.42 -0.42 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.30 1is5 s VAL 107 N -2.43 0.69 0.06 2.29 1.01 0.33 -4.97 120.40 117.37 1is5 s VAL 107 Ca 0.21 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.70 1is5 s VAL 107 Cb -0.04 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1is5 s VAL 107 CO 0.08 0.05 -0.25 -1.61 0.00 0.00 0.00 175.10 173.37 1is5 s GLU 108 N -0.60 1.78 -0.02 2.72 8.01 -1.26 -0.62 118.70 128.72 1is5 s GLU 108 Ca 0.00 -1.13 -0.01 0.00 0.01 0.00 0.00 54.97 53.84 1is5 s GLU 108 Cb -0.05 -2.00 0.01 0.00 -4.31 0.00 0.00 34.13 27.78 1is5 s GLU 108 CO 0.00 0.51 0.05 0.12 0.01 0.00 0.00 175.26 175.94 1is5 s PHE 109 N -0.87 -0.04 0.45 1.61 5.36 -0.57 -4.97 117.98 118.96 1is5 s PHE 109 Ca 0.13 0.14 -0.25 0.00 -0.96 0.00 0.00 56.93 55.98 1is5 s PHE 109 Cb -0.10 -0.03 -0.08 0.00 -0.34 0.00 0.00 43.02 42.46 1is5 s PHE 109 CO 0.03 -0.04 1.42 -0.35 -1.46 0.00 0.00 175.22 174.82 1is5 n PRO 110 N 3.33 2.20 -2.80 10.12 -0.04 -1.26 -0.09 135.00 146.46 1is5 n PRO 110 Ca -0.16 0.78 -0.43 0.00 -0.04 0.00 0.00 63.50 63.66 1is5 n PRO 110 Cb 0.58 -2.61 -0.02 0.00 -0.04 0.00 0.00 33.50 31.41 1is5 n PRO 110 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 1is5 s ASN 111 N -0.50 6.76 0.46 3.54 3.04 0.06 -4.67 114.94 123.64 1is5 s ASN 111 Ca 0.62 -2.25 0.13 0.00 0.04 0.00 0.00 52.86 51.40 1is5 s ASN 111 Cb -0.45 -2.46 1.08 0.00 -1.54 0.00 0.00 41.25 37.87 1is5 s ASN 111 CO 0.57 -1.09 2.07 0.03 -3.04 0.00 0.00 177.10 175.64 1is5 h ARG 112 N 8.37 0.29 -0.06 0.43 3.08 -1.87 -2.30 114.38 122.32 1is5 h ARG 112 Ca 0.26 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.29 1is5 h ARG 112 Cb 0.96 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.94 1is5 h ARG 112 CO 1.27 0.19 0.00 0.09 -1.07 0.00 0.00 179.97 180.45 1is5 n ASN 113 N -4.49 2.84 -3.85 7.04 5.03 -1.26 -4.97 115.26 115.61 1is5 n ASN 113 Ca 0.03 -1.93 -0.27 0.00 0.87 0.00 0.00 54.58 53.27 1is5 n ASN 113 Cb 0.19 -0.02 0.03 0.00 -1.02 0.00 0.00 39.78 38.96 1is5 n ASN 113 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 1is5 n LYS 114 N 1.21 -5.38 -2.48 3.52 5.02 -0.87 -4.98 118.16 114.20 1is5 n LYS 114 Ca 0.15 0.61 -0.33 0.00 -2.02 0.00 0.00 58.31 56.72 1is5 n LYS 114 Cb 0.57 -5.39 -0.04 0.00 -0.02 0.00 0.00 35.03 30.15 1is5 n LYS 114 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1is5 s ASP 115 N -3.64 6.58 0.00 4.39 -0.00 -1.26 -4.96 116.67 117.77 1is5 s ASP 115 Ca 0.46 1.67 0.08 0.00 -0.00 0.00 0.00 52.55 54.76 1is5 s ASP 115 Cb -0.23 -2.53 -0.05 0.00 -0.00 0.00 0.00 42.92 40.12 1is5 s ASP 115 CO 0.82 -0.62 0.45 0.00 -0.00 0.00 0.00 175.17 175.83 1is5 n ALA 116 N -1.32 2.91 -3.35 5.23 0.00 -1.26 -4.69 120.51 118.04 1is5 n ALA 116 Ca 0.07 -0.31 -0.15 0.00 0.00 0.00 0.00 53.44 53.05 1is5 n ALA 116 Cb 0.54 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1is5 n ALA 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1is5 s ALA 117 N -1.51 -1.30 -0.01 0.00 0.00 -1.26 -2.50 121.76 115.17 1is5 s ALA 117 Ca 0.05 0.75 0.02 0.00 0.00 0.00 0.00 51.96 52.78 1is5 s ALA 117 Cb 0.06 0.16 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 1is5 s ALA 117 CO 0.28 -0.39 -0.08 -0.06 0.00 0.00 0.00 175.76 175.52 1is5 s PHE 118 N -1.70 0.72 -1.42 0.00 0.08 -0.31 -4.95 117.98 110.40 1is5 s PHE 118 Ca -0.10 -0.15 0.13 0.00 0.12 0.00 0.00 56.93 56.94 1is5 s PHE 118 Cb -0.02 -0.49 0.20 0.00 -0.57 0.00 0.00 43.02 42.15 1is5 s PHE 118 CO 0.04 -0.04 1.06 0.09 -0.10 0.00 0.00 175.22 176.28 1is5 n ASN 119 N 3.04 2.48 -3.78 1.36 3.02 -0.90 -0.46 115.26 120.02 1is5 n ASN 119 Ca -0.15 -1.72 -0.16 0.00 -0.03 0.00 0.00 54.58 52.52 1is5 n ASN 119 Cb 0.56 -0.11 -0.16 0.00 -0.61 0.00 0.00 39.78 39.47 1is5 n ASN 119 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1is5 s LEU 120 N -1.05 1.08 -0.10 3.41 2.96 -0.55 -0.61 118.68 123.81 1is5 s LEU 120 Ca 0.20 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1is5 s LEU 120 Cb 0.12 -0.11 0.01 0.00 0.50 0.00 0.00 46.19 46.71 1is5 s LEU 120 CO 0.17 -0.12 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.26 1is5 s ILE 121 N 1.08 1.71 0.07 6.68 1.01 -0.26 -1.47 121.20 130.02 1is5 s ILE 121 Ca -0.09 -0.79 -0.09 0.00 0.00 0.00 0.00 60.65 59.68 1is5 s ILE 121 Cb -0.13 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1is5 s ILE 121 CO -0.03 0.48 0.20 -0.72 0.00 0.00 0.00 174.94 174.88 1is5 s TYR 122 N 0.71 0.09 -0.08 3.97 -0.85 -0.65 -1.35 117.35 119.19 1is5 s TYR 122 Ca -0.12 -0.41 -0.00 0.00 -0.52 0.00 0.00 57.07 56.02 1is5 s TYR 122 Cb -0.16 -0.03 -0.03 0.00 0.38 0.00 0.00 41.96 42.12 1is5 s TYR 122 CO 0.02 -0.49 -0.06 -1.17 -1.52 0.00 0.00 175.55 172.33 1is5 s LEU 123 N -2.48 3.19 0.08 -3.49 0.20 -0.53 -0.47 118.68 115.18 1is5 s LEU 123 Ca 0.00 -0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.80 1is5 s LEU 123 Cb 0.02 -1.71 -0.04 0.00 -0.43 0.00 0.00 46.19 44.03 1is5 s LEU 123 CO -0.08 0.33 -0.06 0.00 -0.29 0.00 0.00 176.35 176.25 1is5 s ALA 124 N -0.59 0.83 0.00 5.97 0.00 -0.89 -2.91 121.76 124.17 1is5 s ALA 124 Ca 0.09 -1.20 0.00 0.00 0.00 0.00 0.00 51.96 50.85 1is5 s ALA 124 Cb -0.12 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.15 1is5 s ALA 124 CO 0.02 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 175.99 1is5 n GLY 125 N 0.32 -1.02 2.67 0.00 0.00 -1.26 -0.94 105.19 104.95 1is5 n GLY 125 Ca -0.15 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 1is5 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1is5 n ASP 126 N 0.17 7.03 -3.27 1.61 10.43 -0.03 -4.82 116.55 127.67 1is5 n ASP 126 Ca 0.00 -3.29 -0.09 0.00 2.57 0.00 0.00 54.79 53.98 1is5 n ASP 126 Cb 0.00 -1.33 -0.00 0.00 1.84 0.00 0.00 41.12 41.62 1is5 n ASP 126 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1is5 s ALA 127 N -1.73 -0.55 0.03 2.24 0.00 -1.26 -1.49 121.76 119.00 1is5 s ALA 127 Ca 0.44 -0.80 -0.05 0.00 0.00 0.00 0.00 51.96 51.56 1is5 s ALA 127 Cb 0.15 0.82 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 1is5 s ALA 127 CO -0.05 -0.95 0.07 -0.98 0.00 0.00 0.00 175.76 173.85 1is5 s ARG 128 N -2.92 0.52 -0.09 0.00 1.70 -0.91 -4.92 118.95 112.34 1is5 s ARG 128 Ca 0.18 -0.68 -0.06 0.00 -0.47 0.00 0.00 55.73 54.69 1is5 s ARG 128 Cb -0.04 0.20 -0.04 0.00 -0.57 0.00 0.00 34.95 34.50 1is5 s ARG 128 CO 0.12 -0.12 0.16 -0.51 -1.08 0.00 0.00 175.30 173.87 1is5 s LEU 129 N -1.90 4.39 -0.01 -1.89 1.43 -1.26 -1.80 118.68 117.64 1is5 s LEU 129 Ca -0.08 0.46 0.05 0.00 -1.03 0.00 0.00 54.13 53.53 1is5 s LEU 129 Cb -0.04 -2.23 -0.07 0.00 0.03 0.00 0.00 46.19 43.88 1is5 s LEU 129 CO -0.03 0.37 0.10 0.35 0.23 0.00 0.00 176.35 177.37 1is5 n THR 130 N 1.72 0.02 -3.73 5.49 -2.24 0.21 -4.92 114.28 110.82 1is5 n THR 130 Ca -0.17 -0.11 -0.10 0.00 -2.27 0.00 0.00 64.05 61.39 1is5 n THR 130 Cb 0.54 0.31 -0.04 0.00 -2.10 0.00 0.00 70.33 69.04 1is5 n THR 130 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1is5 s PHE 131 N -2.31 -0.08 -0.13 4.78 -0.71 -1.17 -4.99 117.98 113.37 1is5 s PHE 131 Ca -0.02 -0.26 -0.17 0.00 -1.04 0.00 0.00 56.93 55.45 1is5 s PHE 131 Cb 0.03 0.29 0.04 0.00 -1.21 0.00 0.00 43.02 42.17 1is5 s PHE 131 CO 0.20 -0.82 0.44 0.54 -1.34 0.00 0.00 175.22 174.23 1is5 s VAL 132 N -3.86 0.01 -0.08 -2.49 0.11 -1.26 -2.21 120.40 110.62 1is5 s VAL 132 Ca 0.08 -0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.04 1is5 s VAL 132 Cb 0.00 -0.65 0.02 0.00 -1.53 0.00 0.00 36.38 34.22 1is5 s VAL 132 CO -0.05 -0.05 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.47 1is5 s ARG 133 N -0.19 1.25 -0.18 1.54 0.52 -0.15 -4.99 118.95 116.75 1is5 s ARG 133 Ca -0.04 -0.20 -0.02 0.00 -0.52 0.00 0.00 55.73 54.95 1is5 s ARG 133 Cb -0.03 -1.26 0.05 0.00 0.52 0.00 0.00 34.95 34.23 1is5 s ARG 133 CO 0.02 -0.16 0.02 -1.17 0.02 0.00 0.00 175.30 174.04 1is5 s LEU 134 N 1.31 1.17 0.00 2.53 2.96 -1.26 -0.98 118.68 124.41 1is5 s LEU 134 Ca -0.04 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.15 1is5 s LEU 134 Cb -0.14 -0.61 0.00 0.00 0.50 0.00 0.00 46.19 45.94 1is5 s LEU 134 CO -0.03 -0.28 0.00 -1.84 -1.32 0.00 0.00 176.35 172.88