#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n91 n ASP 2 N 0.00 0.00 -0.10 7.83 9.92 -1.26 -4.93 116.55 128.01 1n91 n ASP 2 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1n91 n ASP 2 Cb 0.00 -0.06 -0.14 0.00 -0.64 0.00 0.00 41.12 40.27 1n91 n ASP 2 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1n91 n GLY 3 N 3.13 -0.85 2.74 0.44 0.00 -1.26 -5.08 105.19 104.31 1n91 n GLY 3 Ca 0.00 -0.30 -0.03 0.00 0.00 0.00 0.00 46.02 45.70 1n91 n GLY 3 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1n91 n VAL 4 N -2.76-10.71 -3.23 1.61 0.31 -1.26 -4.90 118.33 97.39 1n91 n VAL 4 Ca -0.32 2.01 -0.46 0.00 -0.01 0.00 0.00 64.34 65.55 1n91 n VAL 4 Cb 1.09 -6.08 -0.02 0.00 -0.91 0.00 0.00 33.84 27.92 1n91 n VAL 4 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n91 s MET 5 N -1.03 3.54 0.00 5.55 0.23 -1.26 -4.99 119.30 121.34 1n91 s MET 5 Ca -0.13 -2.21 0.00 0.00 -1.03 0.00 0.00 55.69 52.32 1n91 s MET 5 Cb 0.01 -4.52 0.00 0.00 -1.53 0.00 0.00 34.83 28.79 1n91 s MET 5 CO 0.66 -1.41 0.00 -1.13 -2.03 0.00 0.00 175.02 171.11 1n91 n SER 6 N 4.72 1.25 0.00 -1.18 3.41 -1.25 -4.97 113.62 115.61 1n91 n SER 6 Ca 0.13 -0.74 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 1n91 n SER 6 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 1n91 n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n91 n ALA 7 N -3.00 0.00 -3.35 7.33 0.00 -1.26 -3.81 120.51 116.42 1n91 n ALA 7 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1n91 n ALA 7 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.40 1n91 n ALA 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1n91 s VAL 8 N 0.00 0.02 -0.09 0.00 0.11 -1.26 0.76 120.40 119.94 1n91 s VAL 8 Ca 0.00 -0.18 -0.15 0.00 -2.93 0.00 0.00 61.98 58.72 1n91 s VAL 8 Cb 0.00 -0.98 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 1n91 s VAL 8 CO 0.00 -0.10 0.37 -0.89 -3.33 0.00 0.00 175.10 171.15 1n91 s THR 9 N -2.46 0.02 -0.37 5.04 2.01 -0.87 -4.98 115.64 114.04 1n91 s THR 9 Ca -0.05 -0.19 -0.03 0.00 0.31 0.00 0.00 61.69 61.73 1n91 s THR 9 Cb -0.01 -0.59 0.09 0.00 0.01 0.00 0.00 72.50 72.00 1n91 s THR 9 CO -0.02 -0.11 0.13 0.68 -0.69 0.00 0.00 174.62 174.62 1n91 s VAL 10 N -0.49 3.19 0.00 3.82 -7.23 -1.26 -0.60 120.40 117.83 1n91 s VAL 10 Ca -0.06 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 1n91 s VAL 10 Cb -0.04 -3.06 0.00 0.00 0.56 0.00 0.00 36.38 33.84 1n91 s VAL 10 CO 0.03 -0.48 0.00 0.59 -0.31 0.00 0.00 175.10 174.93 1n91 n ASN 11 N 4.60 0.00 -0.75 4.85 3.02 -1.02 -5.00 115.26 120.97 1n91 n ASN 11 Ca -0.06 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.57 1n91 n ASN 11 Cb 0.42 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.71 1n91 n ASN 11 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1n91 n ASP 12 N 0.00 2.67 -0.02 6.41 9.92 -1.26 -4.27 116.55 130.00 1n91 n ASP 12 Ca 0.00 -1.78 0.04 0.00 -0.53 0.00 0.00 54.79 52.52 1n91 n ASP 12 Cb 0.00 -0.10 -0.10 0.00 -0.64 0.00 0.00 41.12 40.28 1n91 n ASP 12 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1n91 n ASP 13 N 0.96 1.94 0.00 -2.24 2.03 -1.26 -5.06 116.55 112.92 1n91 n ASP 13 Ca 0.12 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.43 1n91 n ASP 13 Cb 0.44 1.42 0.00 0.00 -0.72 0.00 0.00 41.12 42.26 1n91 n ASP 13 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1n91 n GLY 14 N 1.86 -0.54 3.19 0.27 0.00 -1.26 -2.96 105.19 105.75 1n91 n GLY 14 Ca -0.07 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 1n91 n GLY 14 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1n91 s LEU 15 N 0.00 0.73 -0.09 0.99 2.34 -0.97 -2.43 118.68 119.25 1n91 s LEU 15 Ca 0.00 0.63 -0.05 0.00 0.06 0.00 0.00 54.13 54.77 1n91 s LEU 15 Cb 0.00 1.05 -0.04 0.00 -0.56 0.00 0.00 46.19 46.64 1n91 s LEU 15 CO 0.00 -0.12 0.13 -0.69 -1.06 0.00 0.00 176.35 174.61 1n91 s VAL 16 N 0.32 5.34 -0.30 1.48 1.01 0.24 -0.78 120.40 127.71 1n91 s VAL 16 Ca -0.01 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.06 1n91 s VAL 16 Cb -0.03 -3.36 0.08 0.00 0.00 0.00 0.00 36.38 33.08 1n91 s VAL 16 CO -0.01 0.55 -0.00 -0.22 0.00 0.00 0.00 175.10 175.42 1n91 s LEU 17 N -1.22 3.78 -0.17 3.92 2.96 0.16 -2.04 118.68 126.07 1n91 s LEU 17 Ca 0.18 -1.74 -0.16 0.00 -0.22 0.00 0.00 54.13 52.18 1n91 s LEU 17 Cb -0.12 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1n91 s LEU 17 CO 0.07 -0.31 0.40 -0.13 -1.32 0.00 0.00 176.35 175.06 1n91 s ARG 18 N 1.12 4.24 0.36 1.98 0.52 0.23 -0.94 118.95 126.46 1n91 s ARG 18 Ca 0.03 0.25 -0.08 0.00 -0.52 0.00 0.00 55.73 55.41 1n91 s ARG 18 Cb -0.19 -3.48 0.02 0.00 0.52 0.00 0.00 34.95 31.82 1n91 s ARG 18 CO -0.09 0.08 0.61 -0.48 0.02 0.00 0.00 175.30 175.44 1n91 s LEU 19 N 0.93 0.57 -0.53 2.53 0.05 -0.08 -4.42 118.68 117.73 1n91 s LEU 19 Ca 0.20 -1.32 -0.05 0.00 0.05 0.00 0.00 54.13 53.02 1n91 s LEU 19 Cb -0.14 2.06 0.14 0.00 -2.05 0.00 0.00 46.19 46.19 1n91 s LEU 19 CO 0.08 -1.46 0.35 -0.47 -0.55 0.00 0.00 176.35 174.30 1n91 s TYR 20 N -2.78 3.50 0.02 3.48 5.04 0.25 -0.94 117.35 125.92 1n91 s TYR 20 Ca 0.24 -2.41 -0.30 0.00 -2.44 0.00 0.00 57.07 52.15 1n91 s TYR 20 Cb -0.02 -3.30 -0.05 0.00 0.35 0.00 0.00 41.96 38.93 1n91 s TYR 20 CO 0.16 -0.93 1.29 0.42 -1.34 0.00 0.00 175.55 175.16 1n91 s ILE 21 N 0.65 3.88 -0.51 3.14 -1.09 0.29 -2.88 121.20 124.67 1n91 s ILE 21 Ca 0.12 1.29 0.04 0.00 -2.23 0.00 0.00 60.65 59.87 1n91 s ILE 21 Cb -0.22 -3.83 0.13 0.00 -1.58 0.00 0.00 42.46 36.96 1n91 s ILE 21 CO -0.03 0.04 0.25 -1.10 -1.23 0.00 0.00 174.94 172.87 1n91 s GLN 22 N 1.81 1.97 0.52 2.79 -1.52 -0.01 -4.51 119.66 120.70 1n91 s GLN 22 Ca 0.61 -2.59 -0.19 0.00 -1.95 0.00 0.00 55.36 51.23 1n91 s GLN 22 Cb -0.30 -3.32 -0.07 0.00 -0.22 0.00 0.00 33.01 29.10 1n91 s GLN 22 CO 0.27 -1.10 1.04 -2.14 -0.25 0.00 0.00 175.29 173.11 1n91 s PRO 23 N -0.24 3.67 -0.02 2.91 0.02 -1.25 0.46 135.00 140.54 1n91 s PRO 23 Ca 0.17 1.30 -0.00 0.00 0.02 0.00 0.00 61.00 62.49 1n91 s PRO 23 Cb -0.26 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.19 1n91 s PRO 23 CO -0.00 -0.54 0.01 1.63 -0.33 0.00 0.00 177.00 177.78 1n91 n LYS 24 N -1.29 -0.10 -3.20 5.54 5.02 0.12 -4.85 118.16 119.39 1n91 n LYS 24 Ca 0.09 0.01 -0.18 0.00 -2.02 0.00 0.00 58.31 56.21 1n91 n LYS 24 Cb 0.53 -2.55 -0.00 0.00 -0.02 0.00 0.00 35.03 32.99 1n91 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n91 s ALA 25 N -3.00 4.38 0.37 7.82 0.00 -0.15 -4.94 121.76 126.24 1n91 s ALA 25 Ca 0.01 -1.70 0.39 0.00 0.00 0.00 0.00 51.96 50.65 1n91 s ALA 25 Cb -0.00 -1.47 1.96 0.00 0.00 0.00 0.00 23.12 23.60 1n91 s ALA 25 CO 0.01 -0.24 2.17 0.66 0.00 0.00 0.00 175.76 178.36 1n91 h SER 26 N 0.77 0.00 -4.68 0.00 4.64 -1.88 -3.37 113.55 109.03 1n91 h SER 26 Ca -0.41 0.00 0.30 0.00 -0.47 0.00 0.00 61.79 61.21 1n91 h SER 26 Cb 1.27 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.19 1n91 h SER 26 CO 0.49 0.00 0.87 0.00 -0.87 0.00 0.00 176.83 177.32 1n91 s ARG 27 N -3.92 0.25 -0.93 4.77 1.70 -1.26 -4.95 118.95 114.60 1n91 s ARG 27 Ca -0.03 -0.11 -0.24 0.00 -0.47 0.00 0.00 55.73 54.89 1n91 s ARG 27 Cb 0.11 0.10 0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1n91 s ARG 27 CO 0.42 -0.11 1.37 -0.51 -1.08 0.00 0.00 175.30 175.40 1n91 s ASP 28 N -2.39 6.40 -0.03 -2.89 1.01 -1.20 -4.24 116.67 113.33 1n91 s ASP 28 Ca 0.11 -1.20 0.03 0.00 0.71 0.00 0.00 52.55 52.21 1n91 s ASP 28 Cb 0.01 -2.55 0.00 0.00 1.01 0.00 0.00 42.92 41.39 1n91 s ASP 28 CO -0.04 -1.57 -0.11 -0.55 0.21 0.00 0.00 175.17 173.10 1n91 s SER 29 N 4.53 1.47 -1.28 0.27 0.15 -0.95 -4.98 113.70 112.92 1n91 s SER 29 Ca 0.42 -0.23 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 1n91 s SER 29 Cb -0.03 -0.39 0.16 0.00 -1.71 0.00 0.00 66.02 64.05 1n91 s SER 29 CO -0.03 0.09 2.04 2.30 1.20 0.00 0.00 173.24 178.85 1n91 n ILE 30 N 3.23 4.77 -0.68 6.45 -5.35 -1.26 -2.34 119.36 124.18 1n91 n ILE 30 Ca -0.18 -4.49 0.07 0.00 -0.27 0.00 0.00 62.75 57.88 1n91 n ILE 30 Cb 0.54 -2.22 0.37 0.00 -1.74 0.00 0.00 39.64 36.58 1n91 n ILE 30 CO 0.00 0.00 0.00 0.52 -1.76 0.00 0.00 176.55 175.31 1n91 n VAL 31 N 2.55 2.35 -2.49 7.28 0.31 -1.25 -4.21 118.33 122.87 1n91 n VAL 31 Ca 0.47 -1.25 0.02 0.00 -0.01 0.00 0.00 64.34 63.57 1n91 n VAL 31 Cb 0.32 -0.21 0.02 0.00 -0.91 0.00 0.00 33.84 33.06 1n91 n VAL 31 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1n91 n GLY 32 N 0.70 1.11 3.67 2.92 0.00 -0.59 -5.04 105.19 107.96 1n91 n GLY 32 Ca 0.25 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1n91 n GLY 32 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1n91 s LEU 33 N -0.82 4.28 0.21 0.99 1.43 -1.24 -0.33 118.68 123.20 1n91 s LEU 33 Ca 0.27 2.01 0.08 0.00 -1.03 0.00 0.00 54.13 55.46 1n91 s LEU 33 Cb 0.32 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.96 1n91 s LEU 33 CO -0.12 -0.78 0.05 -2.28 0.23 0.00 0.00 176.35 173.45 1n91 s HIS 34 N 3.12 2.88 0.36 0.29 2.46 0.16 -4.87 115.29 119.69 1n91 s HIS 34 Ca 0.63 -0.14 0.32 0.00 0.47 0.00 0.00 55.06 56.34 1n91 s HIS 34 Cb -0.29 -1.35 1.58 0.00 -0.13 0.00 0.00 32.58 32.40 1n91 s HIS 34 CO 0.24 0.55 2.09 0.78 -2.47 0.00 0.00 174.74 175.92 1n91 h GLY 35 N 2.24 0.00 0.00 1.59 0.00 -1.96 -2.71 103.07 102.23 1n91 h GLY 35 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1n91 h GLY 35 CO 0.60 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.36 1n91 n ASP 36 N -3.37 0.97 -3.44 0.19 8.00 -1.26 -4.89 116.55 112.76 1n91 n ASP 36 Ca -0.01 -1.05 -0.13 0.00 0.71 0.00 0.00 54.79 54.30 1n91 n ASP 36 Cb 0.24 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.29 1n91 n ASP 36 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1n91 s GLU 37 N -0.05 1.81 -0.20 -1.24 0.41 -1.02 -3.83 118.70 114.58 1n91 s GLU 37 Ca 0.00 -1.65 -0.04 0.00 -0.41 0.00 0.00 54.97 52.87 1n91 s GLU 37 Cb 0.00 0.44 0.08 0.00 -1.78 0.00 0.00 34.13 32.87 1n91 s GLU 37 CO 0.00 -0.74 0.16 0.08 -0.49 0.00 0.00 175.26 174.27 1n91 s VAL 38 N -3.28 -0.20 -0.36 2.63 1.01 -1.26 0.37 120.40 119.30 1n91 s VAL 38 Ca 0.29 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 62.00 1n91 s VAL 38 Cb -0.00 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.76 1n91 s VAL 38 CO 0.17 -0.30 0.14 -0.75 0.00 0.00 0.00 175.10 174.37 1n91 s LYS 39 N 2.23 2.53 -0.10 2.72 2.20 0.55 0.85 119.74 130.73 1n91 s LYS 39 Ca 0.05 -1.32 0.03 0.00 -0.36 0.00 0.00 55.97 54.37 1n91 s LYS 39 Cb -0.16 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.64 1n91 s LYS 39 CO -0.14 -0.77 -0.20 0.54 -0.36 0.00 0.00 175.35 174.42 1n91 s VAL 40 N 1.37 2.44 -0.44 4.02 0.11 -1.14 -1.54 120.40 125.22 1n91 s VAL 40 Ca 0.00 -0.89 -0.15 0.00 -2.93 0.00 0.00 61.98 58.01 1n91 s VAL 40 Cb -0.21 -1.96 0.05 0.00 -1.53 0.00 0.00 36.38 32.73 1n91 s VAL 40 CO 0.02 0.55 0.34 0.00 -3.33 0.00 0.00 175.10 172.67 1n91 s ALA 41 N 0.21 3.50 0.15 1.54 0.00 -0.99 -0.83 121.76 125.35 1n91 s ALA 41 Ca -0.12 -1.91 -0.01 0.00 0.00 0.00 0.00 51.96 49.91 1n91 s ALA 41 Cb -0.16 -2.95 -0.05 0.00 0.00 0.00 0.00 23.12 19.96 1n91 s ALA 41 CO 0.07 -1.58 0.34 -1.50 0.00 0.00 0.00 175.76 173.08 1n91 s ILE 42 N 1.65 5.24 -0.47 0.00 2.07 0.17 -2.23 121.20 127.63 1n91 s ILE 42 Ca 0.04 -0.28 0.08 0.00 -1.41 0.00 0.00 60.65 59.08 1n91 s ILE 42 Cb -0.21 -3.68 0.52 0.00 0.13 0.00 0.00 42.46 39.22 1n91 s ILE 42 CO 0.08 -0.04 1.36 1.07 -1.91 0.00 0.00 174.94 175.51 1n91 n THR 43 N -0.23 1.91 -2.39 4.00 5.66 -1.26 0.13 114.28 122.11 1n91 n THR 43 Ca -0.04 -0.97 -0.28 0.00 -3.05 0.00 0.00 64.05 59.71 1n91 n THR 43 Cb 0.53 -0.40 0.01 0.00 -1.55 0.00 0.00 70.33 68.91 1n91 n THR 43 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1n91 s ALA 44 N -2.15 3.30 0.91 1.79 0.00 -1.26 -4.52 121.76 119.82 1n91 s ALA 44 Ca 0.36 -0.43 -0.13 0.00 0.00 0.00 0.00 51.96 51.76 1n91 s ALA 44 Cb 0.28 -2.73 0.14 0.00 0.00 0.00 0.00 23.12 20.81 1n91 s ALA 44 CO 0.10 -0.53 1.17 -2.14 0.00 0.00 0.00 175.76 174.36 1n91 s PRO 45 N -4.91 1.11 0.00 0.00 0.02 -1.26 -1.94 135.00 128.02 1n91 s PRO 45 Ca 0.51 0.13 0.04 0.00 0.02 0.00 0.00 61.00 61.70 1n91 s PRO 45 Cb -0.11 -1.85 0.24 0.00 0.02 0.00 0.00 34.50 32.81 1n91 s PRO 45 CO 0.47 -2.18 0.93 -2.30 -0.33 0.00 0.00 177.00 173.59 1n91 n PRO 46 N -3.72 0.76 -3.97 5.54 -0.02 -1.26 -4.30 135.00 128.02 1n91 n PRO 46 Ca 0.08 0.00 -0.35 0.00 -2.02 0.00 0.00 63.50 61.21 1n91 n PRO 46 Cb 0.60 -1.08 -0.06 0.00 -0.02 0.00 0.00 33.50 32.93 1n91 n PRO 46 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1n91 s VAL 47 N -2.00 5.25 0.13 -1.45 0.11 -1.26 -4.84 120.40 116.33 1n91 s VAL 47 Ca 0.06 -0.04 -0.17 0.00 -2.93 0.00 0.00 61.98 58.91 1n91 s VAL 47 Cb 0.03 -3.35 -0.02 0.00 -1.53 0.00 0.00 36.38 31.52 1n91 s VAL 47 CO 0.05 0.49 1.70 0.44 -3.33 0.00 0.00 175.10 174.45 1n91 h ASP 48 N 4.52 0.48 -0.63 3.54 3.32 -1.86 0.15 116.42 125.95 1n91 h ASP 48 Ca -0.52 -0.13 0.11 0.00 0.02 0.00 0.00 57.03 56.50 1n91 h ASP 48 Cb 1.21 -0.12 -0.12 0.00 0.22 0.00 0.00 39.33 40.51 1n91 h ASP 48 CO 0.61 0.48 -0.35 1.23 -1.72 0.00 0.00 179.24 179.49 1n91 h GLY 49 N 0.45 -0.14 1.37 2.75 0.00 -1.95 1.18 103.07 106.73 1n91 h GLY 49 Ca 0.12 0.46 -0.32 0.00 0.00 0.00 0.00 47.33 47.60 1n91 h GLY 49 CO -0.01 -0.20 -1.42 1.46 0.00 0.00 0.00 176.54 176.37 1n91 h GLN 50 N -0.15 0.44 0.58 4.80 4.20 -1.90 -2.96 115.11 120.11 1n91 h GLN 50 Ca 0.24 -0.74 -0.03 0.00 0.06 0.00 0.00 58.65 58.17 1n91 h GLN 50 Cb 0.56 0.28 0.01 0.00 0.30 0.00 0.00 27.48 28.62 1n91 h GLN 50 CO -0.71 1.35 -0.28 0.00 -0.67 0.00 0.00 178.83 178.52 1n91 h ALA 51 N 0.31 -0.79 -0.95 3.87 0.00 -0.14 -2.95 119.26 118.61 1n91 h ALA 51 Ca -0.22 -0.17 0.19 0.00 0.00 0.00 0.00 54.91 54.71 1n91 h ALA 51 Cb 2.10 0.30 -0.11 0.00 0.00 0.00 0.00 17.79 20.08 1n91 h ALA 51 CO 0.24 -0.74 0.54 -0.97 0.00 0.00 0.00 179.25 178.33 1n91 h ASN 52 N -1.18 0.65 -0.30 0.00 -0.73 0.12 -0.73 115.58 113.40 1n91 h ASN 52 Ca -0.08 0.11 0.06 0.00 1.87 0.00 0.00 56.30 58.27 1n91 h ASN 52 Cb 0.60 0.01 -0.06 0.00 0.27 0.00 0.00 38.32 39.13 1n91 h ASN 52 CO 0.13 0.20 -0.13 -1.28 -0.37 0.00 0.00 177.43 175.98 1n91 h SER 53 N 0.65 -0.43 0.12 1.15 0.87 -1.52 -1.39 113.55 112.99 1n91 h SER 53 Ca 0.56 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 61.25 1n91 h SER 53 Cb 0.92 0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 1n91 h SER 53 CO -0.41 -0.16 -0.29 0.45 -0.53 0.00 0.00 176.83 175.88 1n91 h HIS 54 N -0.08 -0.80 -0.47 2.24 3.86 -0.95 -0.75 115.15 118.20 1n91 h HIS 54 Ca 0.15 0.02 0.10 0.00 -1.16 0.00 0.00 60.37 59.48 1n91 h HIS 54 Cb 0.31 0.34 -0.10 0.00 1.06 0.00 0.00 27.41 29.02 1n91 h HIS 54 CO -0.33 -0.40 -0.18 -0.07 0.86 0.00 0.00 177.93 177.81 1n91 h LEU 55 N -0.51 -0.65 -2.14 2.43 -0.00 -1.18 1.17 115.31 114.43 1n91 h LEU 55 Ca 0.03 0.16 0.07 0.00 -0.00 0.00 0.00 57.88 58.15 1n91 h LEU 55 Cb 0.54 0.37 -0.01 0.00 -0.00 0.00 0.00 40.66 41.56 1n91 h LEU 55 CO -0.17 -0.22 0.24 1.62 -0.00 0.00 0.00 178.44 179.91 1n91 h VAL 56 N -0.08 0.56 0.00 1.22 3.04 -0.76 0.58 116.25 120.80 1n91 h VAL 56 Ca 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1n91 h VAL 56 Cb 0.43 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1n91 h VAL 56 CO -0.53 0.00 -0.11 0.50 -1.01 0.00 0.00 177.57 176.43 1n91 h LYS 57 N 0.00 0.00 -0.13 4.17 3.64 0.23 -1.57 116.57 122.91 1n91 h LYS 57 Ca 0.12 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.55 1n91 h LYS 57 Cb 0.59 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.35 1n91 h LYS 57 CO -0.00 0.00 -0.31 0.35 -2.27 0.00 0.00 179.45 177.22 1n91 h PHE 58 N -0.51 -0.85 0.25 1.91 3.57 0.11 0.72 116.94 122.14 1n91 h PHE 58 Ca 0.00 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1n91 h PHE 58 Cb 0.11 0.39 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1n91 h PHE 58 CO -0.05 -0.39 -0.12 1.25 -2.23 0.00 0.00 178.31 176.77 1n91 h LEU 59 N -0.39 -0.29 -0.80 0.59 7.12 -0.01 0.66 115.31 122.19 1n91 h LEU 59 Ca 0.10 -0.16 0.11 0.00 0.13 0.00 0.00 57.88 58.06 1n91 h LEU 59 Cb 0.54 0.07 -0.08 0.00 -0.53 0.00 0.00 40.66 40.66 1n91 h LEU 59 CO -0.34 0.01 0.42 1.23 -0.13 0.00 0.00 178.44 179.63 1n91 h GLY 60 N -0.59 1.26 0.81 3.75 0.00 -1.01 0.56 103.07 107.85 1n91 h GLY 60 Ca -0.03 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 46.90 1n91 h GLY 60 CO 0.06 0.05 -0.48 1.70 0.00 0.00 0.00 176.54 177.86 1n91 h LYS 61 N 0.67 0.45 -0.44 4.80 3.64 0.49 0.67 116.57 126.86 1n91 h LYS 61 Ca 0.41 -0.39 -0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1n91 h LYS 61 Cb 0.47 0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 1n91 h LYS 61 CO -0.30 1.03 0.06 1.96 -2.27 0.00 0.00 179.45 179.93 1n91 h GLN 62 N 0.01 0.73 0.00 1.90 1.08 -0.41 -2.97 115.11 115.45 1n91 h GLN 62 Ca -0.04 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 56.96 1n91 h GLN 62 Cb 1.14 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 1n91 h GLN 62 CO 0.10 0.77 -0.57 0.74 -0.95 0.00 0.00 178.83 178.92 1n91 h PHE 63 N 0.59 0.00 0.00 2.96 -1.00 0.03 -3.43 116.94 116.09 1n91 h PHE 63 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1n91 h PHE 63 Cb 0.40 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.96 1n91 h PHE 63 CO 0.03 0.00 0.00 0.54 -1.61 0.00 0.00 178.31 177.27 1n91 n ARG 64 N -2.75 -1.03 -2.11 1.51 1.74 0.23 -2.61 116.66 111.65 1n91 n ARG 64 Ca 0.02 0.26 -0.32 0.00 -0.77 0.00 0.00 57.85 57.03 1n91 n ARG 64 Cb 0.53 -4.72 0.00 0.00 -1.02 0.00 0.00 32.46 27.25 1n91 n ARG 64 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1n91 s VAL 65 N -1.04 4.06 0.92 1.55 -7.23 -1.21 -4.92 120.40 112.53 1n91 s VAL 65 Ca 0.00 0.95 -0.13 0.00 -1.81 0.00 0.00 61.98 60.98 1n91 s VAL 65 Cb 0.00 -3.50 0.01 0.00 0.56 0.00 0.00 36.38 33.46 1n91 s VAL 65 CO 0.00 -0.60 0.35 0.00 -0.31 0.00 0.00 175.10 174.54 1n91 n ALA 66 N -2.00 -2.62 0.19 1.32 0.00 -1.26 -4.78 120.51 111.36 1n91 n ALA 66 Ca 0.08 -0.56 0.05 0.00 0.00 0.00 0.00 53.44 53.01 1n91 n ALA 66 Cb 0.53 -1.77 0.39 0.00 0.00 0.00 0.00 19.45 18.60 1n91 n ALA 66 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1n91 h LYS 67 N -1.37 0.00 0.00 0.00 2.10 -1.94 -1.91 116.57 113.46 1n91 h LYS 67 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1n91 h LYS 67 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1n91 h LYS 67 CO 0.35 0.36 -0.08 0.45 -2.00 0.00 0.00 179.45 178.53 1n91 n SER 68 N -3.70 0.42 0.03 7.07 2.88 -1.26 -3.10 113.62 115.96 1n91 n SER 68 Ca -0.01 0.46 0.12 0.00 -1.33 0.00 0.00 58.87 58.10 1n91 n SER 68 Cb 0.45 -0.53 0.18 0.00 -0.75 0.00 0.00 64.21 63.56 1n91 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n91 n GLN 69 N -1.86 0.18 -3.51 -1.46 3.00 -0.72 -4.68 117.38 108.33 1n91 n GLN 69 Ca 0.06 0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.67 1n91 n GLN 69 Cb 0.38 -1.60 -0.08 0.00 0.00 0.00 0.00 30.24 28.95 1n91 n GLN 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.06 177.60 1n91 s VAL 70 N -3.11 4.39 -0.18 5.09 0.11 -1.18 -0.16 120.40 125.36 1n91 s VAL 70 Ca 0.08 -1.73 -0.00 0.00 -2.93 0.00 0.00 61.98 57.39 1n91 s VAL 70 Cb 0.15 -3.87 0.01 0.00 -1.53 0.00 0.00 36.38 31.13 1n91 s VAL 70 CO 0.73 -0.79 -0.16 -0.69 -3.33 0.00 0.00 175.10 170.86 1n91 s VAL 71 N 1.41 2.51 -0.90 2.04 1.01 -0.30 -4.90 120.40 121.26 1n91 s VAL 71 Ca 0.05 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.04 1n91 s VAL 71 Cb -0.27 -2.07 0.13 0.00 0.00 0.00 0.00 36.38 34.17 1n91 s VAL 71 CO -0.00 0.51 1.09 -0.63 0.00 0.00 0.00 175.10 176.07 1n91 s ILE 72 N 1.14 4.74 -2.00 2.22 1.01 -1.26 0.27 121.20 127.33 1n91 s ILE 72 Ca 0.01 -1.53 0.06 0.00 0.00 0.00 0.00 60.65 59.19 1n91 s ILE 72 Cb -0.14 -4.76 0.18 0.00 0.01 0.00 0.00 42.46 37.75 1n91 s ILE 72 CO -0.06 -1.48 0.77 -0.62 0.00 0.00 0.00 174.94 173.55 1n91 n GLU 73 N 6.50 0.32 0.00 2.79 1.02 -0.47 -4.66 120.64 126.15 1n91 n GLU 73 Ca 0.21 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1n91 n GLU 73 Cb 0.49 -1.30 0.00 0.00 -0.02 0.00 0.00 31.44 30.61 1n91 n GLU 73 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1n91 n LYS 74 N -0.80 0.00 0.00 3.49 5.02 -1.25 -4.92 118.16 119.70 1n91 n LYS 74 Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1n91 n LYS 74 Cb 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.03 1n91 n LYS 74 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n91 n GLY 75 N -0.52 1.38 0.26 0.72 0.00 -1.18 -0.77 105.19 105.07 1n91 n GLY 75 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1n91 n GLY 75 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n91 n GLU 76 N 0.00 -0.06 0.00 1.61 1.02 -1.26 -3.65 120.64 118.30 1n91 n GLU 76 Ca 0.00 1.13 0.00 0.00 -0.02 0.00 0.00 57.16 58.27 1n91 n GLU 76 Cb 0.00 -1.80 0.00 0.00 -0.02 0.00 0.00 31.44 29.62 1n91 n GLU 76 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1n91 n LEU 77 N -5.04 1.05 -4.68 -4.62 0.00 -1.26 -3.61 117.00 98.84 1n91 n LEU 77 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 56.01 55.88 1n91 n LEU 77 Cb 0.60 0.00 0.15 0.00 0.00 0.00 0.00 43.42 44.17 1n91 n LEU 77 CO -0.05 0.10 0.70 -0.83 0.00 0.00 0.00 177.39 177.31 1n91 s GLY 78 N -3.94 1.80 0.22 -3.96 0.00 -1.24 -4.93 107.32 95.27 1n91 s GLY 78 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 44.72 45.40 1n91 s GLY 78 CO 0.00 1.05 1.51 3.21 0.00 0.00 0.00 173.10 178.88 1n91 h ARG 79 N -1.60 0.23 -6.96 2.90 3.08 -1.86 -3.41 114.38 106.76 1n91 h ARG 79 Ca -0.44 -0.18 -0.51 0.00 0.07 0.00 0.00 59.98 58.92 1n91 h ARG 79 Cb 1.27 0.03 0.06 0.00 0.08 0.00 0.00 29.97 31.42 1n91 h ARG 79 CO 0.43 0.82 0.52 -1.01 -1.07 0.00 0.00 179.97 179.65 1n91 s HIS 80 N -3.62 2.97 -0.01 3.04 3.76 -1.26 0.10 115.29 120.27 1n91 s HIS 80 Ca -0.04 1.53 -0.19 0.00 -0.15 0.00 0.00 55.06 56.21 1n91 s HIS 80 Cb 0.11 -3.44 0.04 0.00 1.11 0.00 0.00 32.58 30.40 1n91 s HIS 80 CO 0.81 -1.51 0.41 0.21 -0.85 0.00 0.00 174.74 173.80 1n91 s LYS 81 N -2.40 0.79 -0.19 1.40 2.20 -0.11 -3.13 119.74 118.30 1n91 s LYS 81 Ca 0.59 -0.12 -0.04 0.00 -0.36 0.00 0.00 55.97 56.04 1n91 s LYS 81 Cb -0.31 0.36 0.10 0.00 -1.51 0.00 0.00 37.83 36.46 1n91 s LYS 81 CO 0.39 -0.23 0.29 1.14 -0.36 0.00 0.00 175.35 176.58 1n91 s GLN 82 N -1.45 0.23 -0.13 4.03 -2.07 0.05 -0.91 119.66 119.41 1n91 s GLN 82 Ca -0.12 0.50 -0.02 0.00 -1.82 0.00 0.00 55.36 53.90 1n91 s GLN 82 Cb -0.03 -0.58 -0.03 0.00 -1.09 0.00 0.00 33.01 31.28 1n91 s GLN 82 CO 0.05 -0.52 -0.05 0.42 -1.32 0.00 0.00 175.29 173.86 1n91 s ILE 83 N 2.43 3.81 -0.30 3.63 1.01 -0.11 -1.37 121.20 130.30 1n91 s ILE 83 Ca 0.06 -0.40 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1n91 s ILE 83 Cb -0.14 -2.64 -0.02 0.00 0.01 0.00 0.00 42.46 39.66 1n91 s ILE 83 CO -0.12 0.52 0.16 -0.75 0.00 0.00 0.00 174.94 174.75 1n91 s LYS 84 N 0.08 3.57 -0.51 2.79 2.36 0.14 0.40 119.74 128.57 1n91 s LYS 84 Ca -0.01 -0.57 -0.10 0.00 -2.55 0.00 0.00 55.97 52.74 1n91 s LYS 84 Cb -0.14 -3.58 0.13 0.00 -1.05 0.00 0.00 37.83 33.19 1n91 s LYS 84 CO 0.03 -0.32 0.40 0.42 1.55 0.00 0.00 175.35 177.43 1n91 s ILE 85 N 1.67 4.43 0.43 5.43 1.09 0.04 -1.15 121.20 133.14 1n91 s ILE 85 Ca 0.06 -1.84 -0.18 0.00 -1.10 0.00 0.00 60.65 57.59 1n91 s ILE 85 Cb -0.16 -3.89 -0.09 0.00 -1.06 0.00 0.00 42.46 37.25 1n91 s ILE 85 CO 0.08 -0.81 0.91 -0.63 -0.10 0.00 0.00 174.94 174.38 1n91 s ILE 86 N 1.26 4.51 -0.43 2.92 1.01 0.77 -2.30 121.20 128.94 1n91 s ILE 86 Ca 0.07 1.26 -0.36 0.00 0.00 0.00 0.00 60.65 61.61 1n91 s ILE 86 Cb -0.26 -3.64 0.05 0.00 0.01 0.00 0.00 42.46 38.62 1n91 s ILE 86 CO -0.01 -0.41 0.63 0.59 0.00 0.00 0.00 174.94 175.75 1n91 n ASN 87 N -0.89 -5.77 -4.73 3.58 4.13 -1.15 -4.79 115.26 105.64 1n91 n ASN 87 Ca 0.06 -0.07 -0.41 0.00 1.68 0.00 0.00 54.58 55.84 1n91 n ASN 87 Cb 0.54 -1.99 -0.03 0.00 -1.54 0.00 0.00 39.78 36.75 1n91 n ASN 87 CO 0.00 0.00 0.00 -2.84 0.28 0.00 0.00 177.26 174.70 1n91 s PRO 88 N -2.40 4.48 -0.01 3.52 0.02 -1.26 -4.80 135.00 134.55 1n91 s PRO 88 Ca 0.36 1.84 0.02 0.00 0.02 0.00 0.00 61.00 63.23 1n91 s PRO 88 Cb -0.04 -3.27 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 1n91 s PRO 88 CO 0.83 -0.13 0.02 0.94 -0.33 0.00 0.00 177.00 178.33 1n91 n GLN 89 N 2.93 2.39 -3.62 5.54 -0.06 -1.26 -4.99 117.38 118.31 1n91 n GLN 89 Ca 0.06 -0.01 -0.15 0.00 -2.00 0.00 0.00 57.00 54.90 1n91 n GLN 89 Cb 0.45 -1.05 -0.13 0.00 -4.06 0.00 0.00 30.24 25.45 1n91 n GLN 89 CO 0.00 0.00 0.00 -1.14 -0.20 0.00 0.00 177.06 175.72 1n91 s GLN 90 N -2.08 0.14 -0.28 3.69 0.74 -1.07 -5.05 119.66 115.75 1n91 s GLN 90 Ca -0.01 0.58 -0.04 0.00 0.05 0.00 0.00 55.36 55.94 1n91 s GLN 90 Cb 0.01 -0.36 0.02 0.00 1.10 0.00 0.00 33.01 33.78 1n91 s GLN 90 CO 0.07 -0.38 0.01 -1.50 -0.55 0.00 0.00 175.29 172.94 1n91 s ILE 91 N 2.38 3.37 0.42 -2.34 2.07 -1.26 -4.23 121.20 121.61 1n91 s ILE 91 Ca 0.03 -0.95 -0.25 0.00 -1.41 0.00 0.00 60.65 58.07 1n91 s ILE 91 Cb -0.13 -2.77 -0.08 0.00 0.13 0.00 0.00 42.46 39.61 1n91 s ILE 91 CO -0.09 0.09 1.29 -2.84 -1.91 0.00 0.00 174.94 171.47 1n91 s PRO 92 N 1.39 3.87 0.61 3.50 0.02 -1.26 -4.76 135.00 138.36 1n91 s PRO 92 Ca 0.00 2.11 0.27 0.00 0.02 0.00 0.00 61.00 63.40 1n91 s PRO 92 Cb -0.17 -2.67 1.30 0.00 0.02 0.00 0.00 34.50 32.98 1n91 s PRO 92 CO -0.01 -0.56 1.72 -1.00 -0.33 0.00 0.00 177.00 176.82 1n91 h PRO 93 N 2.49 0.00 0.84 5.54 0.13 -1.99 0.22 132.00 139.24 1n91 h PRO 93 Ca -0.50 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.59 1n91 h PRO 93 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 1n91 h PRO 93 CO 0.62 0.00 -0.43 1.49 -0.23 0.00 0.00 178.00 179.44 1n91 h GLU 94 N 0.00 -1.13 0.00 0.86 4.22 -1.99 1.17 114.58 117.70 1n91 h GLU 94 Ca 0.24 0.08 -0.08 0.00 0.08 0.00 0.00 59.36 59.67 1n91 h GLU 94 Cb 1.56 0.26 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1n91 h GLU 94 CO -0.00 -0.75 -0.39 0.28 -2.18 0.00 0.00 179.01 175.97 1n91 h VAL 95 N -1.17 0.76 0.00 0.32 2.07 -1.61 -3.04 116.25 113.58 1n91 h VAL 95 Ca -0.11 -1.74 -0.14 0.00 0.82 0.00 0.00 66.70 65.53 1n91 h VAL 95 Cb 0.91 2.13 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 1n91 h VAL 95 CO 0.17 0.38 -0.65 0.00 0.02 0.00 0.00 177.57 177.49 1n91 h ALA 96 N 1.61 0.78 -0.57 1.67 0.00 -0.78 -3.17 119.26 118.80 1n91 h ALA 96 Ca -0.00 -0.60 0.14 0.00 0.00 0.00 0.00 54.91 54.45 1n91 h ALA 96 Cb 1.10 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1n91 h ALA 96 CO 0.05 0.82 0.40 0.00 0.00 0.00 0.00 179.25 180.52 1n91 h ALA 97 N 1.35 2.36 -0.01 0.00 0.00 0.15 2.87 119.26 125.97 1n91 h ALA 97 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n91 h ALA 97 Cb 1.27 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1n91 h ALA 97 CO 0.09 -0.52 -0.34 1.28 0.00 0.00 0.00 179.25 179.76 1n91 n LEU 98 N -4.41 1.47 -0.00 0.00 4.32 -1.20 -3.66 117.00 113.51 1n91 n LEU 98 Ca 0.10 -0.48 0.02 0.00 -0.02 0.00 0.00 56.01 55.63 1n91 n LEU 98 Cb 0.55 -0.07 -0.02 0.00 -1.62 0.00 0.00 43.42 42.26 1n91 n LEU 98 CO 0.36 0.27 -0.46 -0.38 -1.22 0.00 0.00 177.39 175.96 1n91 n ILE 99 N -0.35 0.00 1.05 -0.08 2.08 0.96 -4.58 119.36 118.44 1n91 n ILE 99 Ca 0.11 -0.13 0.12 0.00 0.56 0.00 0.00 62.75 63.41 1n91 n ILE 99 Cb 0.40 0.51 0.17 0.00 -0.75 0.00 0.00 39.64 39.97 1n91 n ILE 99 CO 0.00 0.00 0.00 0.59 0.56 0.00 0.00 176.55 177.70 1n91 n ASN 100 N -1.53 0.86 0.00 4.38 5.03 0.92 -4.75 115.26 120.17 1n91 n ASN 100 Ca -0.00 -0.67 0.00 0.00 0.87 0.00 0.00 54.58 54.78 1n91 n ASN 100 Cb 0.08 0.42 0.00 0.00 -1.02 0.00 0.00 39.78 39.26 1n91 n ASN 100 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1n91 n LEU 101 N -1.19 0.00 -2.64 3.41 4.77 -1.24 -4.60 117.00 115.50 1n91 n LEU 101 Ca 0.07 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 56.01 1n91 n LEU 101 Cb 0.35 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.43 1n91 n LEU 101 CO 0.34 0.00 -0.02 -0.62 -1.33 0.00 0.00 177.39 175.76 1n91 n GLU 102 N 0.00 -2.80 0.00 3.23 4.71 -1.26 -4.70 120.64 119.82 1n91 n GLU 102 Ca 0.00 0.05 0.12 0.00 -0.01 0.00 0.00 57.16 57.32 1n91 n GLU 102 Cb 0.00 -4.57 0.69 0.00 -1.01 0.00 0.00 31.44 26.55 1n91 n GLU 102 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 1n91 n HIS 103 N -2.68 0.00 0.00 -0.32 -0.00 -1.26 -3.62 115.22 107.34 1n91 n HIS 103 Ca -0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1n91 n HIS 103 Cb 0.50 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 1n91 n HIS 103 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 1n91 n HIS 104 N -0.98 0.00 0.87 1.57 -0.00 -1.26 -4.80 115.22 110.61 1n91 n HIS 104 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.89 1n91 n HIS 104 Cb 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.07 1n91 n HIS 104 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1n91 n HIS 105 N -0.78 0.00 0.00 -1.40 -0.00 -1.24 -4.52 115.22 107.27 1n91 n HIS 105 Ca 0.00 -0.14 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 1n91 n HIS 105 Cb 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 29.99 29.86 1n91 n HIS 105 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1n91 n HIS 106 N 0.23 0.00 0.00 4.41 -0.00 -1.24 -4.81 115.22 113.81 1n91 n HIS 106 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1n91 n HIS 106 Cb 0.29 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.16 1n91 n HIS 106 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 1n91 n HIS 107 N 0.00 0.00 -1.68 1.57 8.25 -1.26 -5.16 115.22 116.94 1n91 n HIS 107 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1n91 n HIS 107 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1n91 n HIS 107 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59