#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 -5.37 0.00 7.83 8.00 -1.26 -4.95 116.55 120.80 1n91 n ASP 2 Ca 0.00 0.43 0.00 0.00 0.71 0.00 0.00 54.79 55.93 1n91 n ASP 2 Cb 0.00 -4.58 0.00 0.00 -0.02 0.00 0.00 41.12 36.52 1n91 n ASP 2 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1n91 n GLY 3 N -0.62 -0.76 0.00 0.44 0.00 -1.26 -4.96 105.19 98.02 1n91 n GLY 3 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 0.00 -3.23 1.61 0.31 -1.26 -4.96 118.33 110.80 1n91 n VAL 4 Ca 0.00 0.00 -0.45 0.00 -0.01 0.00 0.00 64.34 63.88 1n91 n VAL 4 Cb 0.00 -0.62 -0.05 0.00 -0.91 0.00 0.00 33.84 32.26 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 -1.69 3.03 -0.07 5.55 0.00 -1.26 -4.70 119.30 120.16 1n91 s MET 5 Ca 0.00 -1.56 0.03 0.00 0.00 0.00 0.00 55.69 54.16 1n91 s MET 5 Cb 0.00 -4.29 0.01 0.00 0.00 0.00 0.00 34.83 30.54 1n91 s MET 5 CO 0.00 -1.42 -0.16 -1.54 0.00 0.00 0.00 175.02 171.90 1n91 s SER 6 N 3.59 2.17 0.00 -1.18 1.04 -1.26 -4.76 113.70 113.29 1n91 s SER 6 Ca 0.07 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1n91 s SER 6 Cb -0.27 -0.89 0.00 0.00 0.10 0.00 0.00 66.02 64.96 1n91 s SER 6 CO 0.04 0.09 0.00 0.00 0.98 0.00 0.00 173.24 174.36 1n91 n ALA 7 N 3.56 0.00 -3.42 5.32 0.00 -1.26 -3.63 120.51 121.08 1n91 n ALA 7 Ca -0.21 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.11 1n91 n ALA 7 Cb 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.95 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 0.00 -0.17 0.00 0.11 -1.26 0.10 120.40 119.18 1n91 s VAL 8 Ca 0.00 -0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 58.97 1n91 s VAL 8 Cb 0.00 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.92 1n91 s VAL 8 CO 0.00 0.00 0.39 -0.89 -3.33 0.00 0.00 175.10 171.27 1n91 s THR 9 N -3.73 -0.28 -0.60 5.04 2.01 -0.56 -4.97 115.64 112.57 1n91 s THR 9 Ca 0.01 0.14 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 1n91 s THR 9 Cb -0.01 -0.60 0.08 0.00 0.01 0.00 0.00 72.50 71.98 1n91 s THR 9 CO -0.13 0.06 0.80 0.68 -0.69 0.00 0.00 174.62 175.34 1n91 s VAL 10 N 1.91 4.62 0.00 3.82 -7.23 -1.26 0.37 120.40 122.63 1n91 s VAL 10 Ca -0.06 -0.60 0.00 0.00 -1.81 0.00 0.00 61.98 59.52 1n91 s VAL 10 Cb -0.10 -4.54 0.00 0.00 0.56 0.00 0.00 36.38 32.30 1n91 s VAL 10 CO -0.12 -1.20 0.00 0.59 -0.31 0.00 0.00 175.10 174.06 1n91 n ASN 11 N 6.89 0.00 -0.94 4.85 4.13 -0.88 -4.97 115.26 124.34 1n91 n ASN 11 Ca -0.06 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.28 1n91 n ASN 11 Cb 0.44 0.00 0.23 0.00 -1.54 0.00 0.00 39.78 38.91 1n91 n ASN 11 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1n91 n ASP 12 N 0.00 3.46 0.00 6.41 8.00 -1.26 -4.27 116.55 128.88 1n91 n ASP 12 Ca 0.00 -2.13 0.00 0.00 0.71 0.00 0.00 54.79 53.37 1n91 n ASP 12 Cb 0.00 -0.36 0.00 0.00 -0.02 0.00 0.00 41.12 40.74 1n91 n ASP 12 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1n91 n ASP 13 N 0.79 3.55 0.00 -2.24 2.03 -1.26 -5.12 116.55 114.30 1n91 n ASP 13 Ca 0.17 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1n91 n ASP 13 Cb 0.56 0.80 0.00 0.00 -0.72 0.00 0.00 41.12 41.76 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 -0.46 3.21 0.27 0.00 -1.26 -2.85 105.19 105.96 1n91 n GLY 14 Ca 0.00 0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 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 0.63 -0.46 0.99 2.34 -1.10 -2.06 118.68 119.02 1n91 s LEU 15 Ca 0.00 0.68 -0.16 0.00 0.06 0.00 0.00 54.13 54.71 1n91 s LEU 15 Cb 0.00 1.13 0.06 0.00 -0.56 0.00 0.00 46.19 46.82 1n91 s LEU 15 CO 0.00 -0.13 0.40 -0.69 -1.06 0.00 0.00 176.35 174.87 1n91 s VAL 16 N 0.37 5.20 -0.37 1.48 1.01 0.16 -0.96 120.40 127.29 1n91 s VAL 16 Ca -0.02 -0.91 -0.23 0.00 0.00 0.00 0.00 61.98 60.82 1n91 s VAL 16 Cb -0.03 -4.10 0.01 0.00 0.00 0.00 0.00 36.38 32.26 1n91 s VAL 16 CO -0.01 -0.54 0.79 -0.22 0.00 0.00 0.00 175.10 175.12 1n91 s LEU 17 N 1.75 4.13 -0.17 3.92 2.96 0.28 -1.49 118.68 130.06 1n91 s LEU 17 Ca 0.05 0.32 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 1n91 s LEU 17 Cb -0.23 -3.03 -0.02 0.00 0.50 0.00 0.00 46.19 43.42 1n91 s LEU 17 CO 0.08 -0.75 -0.06 -0.13 -1.32 0.00 0.00 176.35 174.17 1n91 s ARG 18 N 3.13 3.50 0.31 1.98 0.52 0.28 0.14 118.95 128.80 1n91 s ARG 18 Ca 0.31 -0.59 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 1n91 s ARG 18 Cb -0.13 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.45 1n91 s ARG 18 CO 0.17 0.07 0.47 -0.48 0.02 0.00 0.00 175.30 175.56 1n91 s LEU 19 N 0.78 0.73 -0.69 2.53 2.34 -0.63 -4.40 118.68 119.34 1n91 s LEU 19 Ca -0.02 -1.28 -0.09 0.00 0.06 0.00 0.00 54.13 52.80 1n91 s LEU 19 Cb -0.15 1.58 0.18 0.00 -0.56 0.00 0.00 46.19 47.24 1n91 s LEU 19 CO 0.02 -1.24 0.57 -0.47 -1.06 0.00 0.00 176.35 174.16 1n91 s TYR 20 N -3.39 3.55 0.09 3.48 5.04 0.31 -1.67 117.35 124.77 1n91 s TYR 20 Ca 0.28 -2.27 -0.30 0.00 -2.44 0.00 0.00 57.07 52.33 1n91 s TYR 20 Cb -0.00 -3.51 -0.06 0.00 0.35 0.00 0.00 41.96 38.73 1n91 s TYR 20 CO 0.15 -0.93 1.21 0.42 -1.34 0.00 0.00 175.55 175.07 1n91 s ILE 21 N 0.26 3.88 -0.49 3.14 -1.09 -0.61 -2.92 121.20 123.38 1n91 s ILE 21 Ca 0.15 1.40 0.03 0.00 -2.23 0.00 0.00 60.65 60.00 1n91 s ILE 21 Cb -0.17 -3.89 0.14 0.00 -1.58 0.00 0.00 42.46 36.95 1n91 s ILE 21 CO -0.05 0.13 0.27 -1.58 -1.23 0.00 0.00 174.94 172.48 1n91 s GLN 22 N 0.77 1.59 0.71 2.79 -0.44 -0.17 -4.63 119.66 120.29 1n91 s GLN 22 Ca 0.58 -2.32 -0.11 0.00 -2.50 0.00 0.00 55.36 51.01 1n91 s GLN 22 Cb -0.31 -2.71 0.02 0.00 -1.64 0.00 0.00 33.01 28.37 1n91 s GLN 22 CO 0.31 -1.16 1.07 -2.14 0.50 0.00 0.00 175.29 173.86 1n91 s PRO 23 N -0.01 2.78 -0.39 1.67 0.02 -1.26 -1.64 135.00 136.16 1n91 s PRO 23 Ca 0.19 0.88 -0.00 0.00 0.02 0.00 0.00 61.00 62.08 1n91 s PRO 23 Cb -0.22 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1n91 s PRO 23 CO -0.02 -1.19 0.33 1.63 -0.33 0.00 0.00 177.00 177.42 1n91 n LYS 24 N -3.18 -2.19 -0.06 5.54 5.02 -0.75 -4.88 118.16 117.66 1n91 n LYS 24 Ca 0.07 0.27 -0.06 0.00 -2.02 0.00 0.00 58.31 56.57 1n91 n LYS 24 Cb 0.54 -3.58 -0.02 0.00 -0.02 0.00 0.00 35.03 31.95 1n91 n LYS 24 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n91 n ALA 25 N -2.18 0.61 0.00 7.82 0.00 -1.13 -5.04 120.51 120.58 1n91 n ALA 25 Ca -0.08 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.72 1n91 n ALA 25 Cb 0.55 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.02 1n91 n ALA 25 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n91 n SER 26 N -3.90 0.00 -3.61 0.00 2.88 -1.26 -5.04 113.62 102.69 1n91 n SER 26 Ca -0.10 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.32 1n91 n SER 26 Cb 0.36 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.75 1n91 n SER 26 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n91 s ARG 27 N 0.00 0.74 -0.70 -1.46 0.52 -1.26 -4.81 118.95 111.97 1n91 s ARG 27 Ca 0.00 0.70 -0.26 0.00 -0.52 0.00 0.00 55.73 55.65 1n91 s ARG 27 Cb 0.00 0.36 -0.08 0.00 0.52 0.00 0.00 34.95 35.74 1n91 s ARG 27 CO 0.00 -0.12 2.24 0.16 0.02 0.00 0.00 175.30 177.60 1n91 s ASP 28 N 0.01 4.48 -0.11 0.23 1.47 -1.16 -4.45 116.67 117.14 1n91 s ASP 28 Ca -0.00 0.23 0.03 0.00 1.18 0.00 0.00 52.55 53.98 1n91 s ASP 28 Cb -0.04 -2.54 0.01 0.00 -0.34 0.00 0.00 42.92 40.01 1n91 s ASP 28 CO -0.00 -3.17 -0.19 -0.94 0.68 0.00 0.00 175.17 171.55 1n91 s SER 29 N 10.29 2.69 -1.26 2.11 1.04 -0.80 -4.94 113.70 122.85 1n91 s SER 29 Ca 0.86 -0.49 -0.06 0.00 0.48 0.00 0.00 55.95 56.74 1n91 s SER 29 Cb -0.13 -1.23 0.17 0.00 0.10 0.00 0.00 66.02 64.93 1n91 s SER 29 CO 0.13 0.07 2.13 2.30 0.98 0.00 0.00 173.24 178.85 1n91 n ILE 30 N 3.97 5.17 -0.45 -1.02 -5.35 -1.26 -0.69 119.36 119.72 1n91 n ILE 30 Ca -0.20 -4.68 0.07 0.00 -0.27 0.00 0.00 62.75 57.67 1n91 n ILE 30 Cb 0.52 -2.07 0.33 0.00 -1.74 0.00 0.00 39.64 36.68 1n91 n ILE 30 CO 0.00 0.00 0.00 0.55 -1.76 0.00 0.00 176.55 175.34 1n91 n VAL 31 N 1.81 2.00 -2.12 7.28 3.14 -1.24 -4.08 118.33 125.11 1n91 n VAL 31 Ca 0.53 -1.10 0.01 0.00 -2.96 0.00 0.00 64.34 60.82 1n91 n VAL 31 Cb 0.28 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1n91 n VAL 31 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1n91 n GLY 32 N 0.73 0.65 3.67 7.55 0.00 -0.42 -5.04 105.19 112.33 1n91 n GLY 32 Ca 0.23 -0.20 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1n91 n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n91 n LEU 33 N 0.12 4.10 -4.65 0.99 4.77 -1.24 -1.59 117.00 119.50 1n91 n LEU 33 Ca 0.01 0.92 -0.26 0.00 -0.03 0.00 0.00 56.01 56.64 1n91 n LEU 33 Cb 0.80 -1.52 -0.08 0.00 -2.33 0.00 0.00 43.42 40.29 1n91 n LEU 33 CO -0.01 0.18 -0.34 -2.28 -1.33 0.00 0.00 177.39 173.60 1n91 s HIS 34 N 4.22 2.80 0.25 -1.77 2.46 1.00 -4.87 115.29 119.37 1n91 s HIS 34 Ca 0.89 -0.16 0.37 0.00 0.47 0.00 0.00 55.06 56.62 1n91 s HIS 34 Cb -0.46 -1.35 1.68 0.00 -0.13 0.00 0.00 32.58 32.32 1n91 s HIS 34 CO 0.42 0.52 2.09 0.78 -2.47 0.00 0.00 174.74 176.09 1n91 h GLY 35 N 2.67 0.00 0.00 1.59 0.00 -1.95 -2.81 103.07 102.56 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 0.58 0.00 0.00 1.22 0.00 0.00 0.00 176.54 178.34 1n91 n ASP 36 N -3.04 0.46 -2.76 0.19 8.00 -1.26 -4.51 116.55 113.64 1n91 n ASP 36 Ca -0.00 -0.73 -0.13 0.00 0.71 0.00 0.00 54.79 54.63 1n91 n ASP 36 Cb 0.23 0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 41.78 1n91 n ASP 36 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1n91 n GLU 37 N -0.48 0.62 -3.58 -1.24 1.02 -1.06 -4.27 120.64 111.65 1n91 n GLU 37 Ca 0.00 -2.47 -0.23 0.00 -0.02 0.00 0.00 57.16 54.44 1n91 n GLU 37 Cb 0.01 2.38 -0.16 0.00 -0.02 0.00 0.00 31.44 33.65 1n91 n GLU 37 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1n91 s VAL 38 N -2.77 -0.17 -0.40 2.62 1.01 -1.26 -0.00 120.40 119.42 1n91 s VAL 38 Ca 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 62.09 1n91 s VAL 38 Cb -0.01 -0.57 0.09 0.00 0.00 0.00 0.00 36.38 35.89 1n91 s VAL 38 CO 0.18 -0.22 0.21 -0.54 0.00 0.00 0.00 175.10 174.74 1n91 s LYS 39 N 2.20 2.33 -0.08 2.72 1.02 -0.62 0.12 119.74 127.43 1n91 s LYS 39 Ca 0.04 -1.61 0.02 0.00 0.02 0.00 0.00 55.97 54.44 1n91 s LYS 39 Cb -0.16 -3.63 -0.02 0.00 -0.52 0.00 0.00 37.83 33.50 1n91 s LYS 39 CO -0.09 -0.98 -0.14 0.54 -0.92 0.00 0.00 175.35 173.75 1n91 s VAL 40 N 1.28 3.03 -0.72 3.17 0.11 -1.15 -1.30 120.40 124.84 1n91 s VAL 40 Ca 0.04 -0.71 -0.15 0.00 -2.93 0.00 0.00 61.98 58.23 1n91 s VAL 40 Cb -0.23 -2.21 0.18 0.00 -1.53 0.00 0.00 36.38 32.59 1n91 s VAL 40 CO -0.01 0.57 0.66 0.00 -3.33 0.00 0.00 175.10 172.99 1n91 s ALA 41 N -0.35 3.91 0.40 1.54 0.00 0.13 -1.00 121.76 126.40 1n91 s ALA 41 Ca 0.03 -3.02 -0.22 0.00 0.00 0.00 0.00 51.96 48.75 1n91 s ALA 41 Cb -0.13 -3.42 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 1n91 s ALA 41 CO 0.02 -2.18 0.95 -1.50 0.00 0.00 0.00 175.76 173.05 1n91 s ILE 42 N 0.73 4.35 -0.32 0.00 2.07 -0.65 -1.90 121.20 125.47 1n91 s ILE 42 Ca 0.12 1.57 0.03 0.00 -1.41 0.00 0.00 60.65 60.96 1n91 s ILE 42 Cb -0.18 -3.70 0.47 0.00 0.13 0.00 0.00 42.46 39.18 1n91 s ILE 42 CO -0.04 -0.20 1.62 1.07 -1.91 0.00 0.00 174.94 175.47 1n91 n THR 43 N -0.34 2.49 -3.70 4.00 5.66 -1.26 -1.81 114.28 119.32 1n91 n THR 43 Ca 0.06 -1.30 -0.21 0.00 -3.05 0.00 0.00 64.05 59.54 1n91 n THR 43 Cb 0.53 -0.62 -0.01 0.00 -1.55 0.00 0.00 70.33 68.68 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 -2.28 3.92 1.02 1.79 0.00 -1.26 -4.77 121.76 120.18 1n91 s ALA 44 Ca 0.39 -1.19 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 1n91 s ALA 44 Cb 0.33 -1.83 0.22 0.00 0.00 0.00 0.00 23.12 21.84 1n91 s ALA 44 CO 0.08 0.10 1.26 -2.14 0.00 0.00 0.00 175.76 175.06 1n91 s PRO 45 N -4.12 0.19 0.00 0.00 0.02 -1.26 -2.34 135.00 127.48 1n91 s PRO 45 Ca 0.38 -0.29 0.12 0.00 0.02 0.00 0.00 61.00 61.23 1n91 s PRO 45 Cb -0.09 -1.78 0.74 0.00 0.02 0.00 0.00 34.50 33.39 1n91 s PRO 45 CO 0.31 -2.74 1.38 -2.30 -0.33 0.00 0.00 177.00 173.32 1n91 n PRO 46 N -4.02 0.87 -3.86 5.54 -0.02 -1.26 -4.37 135.00 127.88 1n91 n PRO 46 Ca 0.14 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.37 1n91 n PRO 46 Cb 0.59 -1.23 -0.03 0.00 -0.02 0.00 0.00 33.50 32.82 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 5.28 -0.01 -1.45 0.11 -1.26 -4.96 120.40 116.10 1n91 s VAL 47 Ca 0.19 -0.64 -0.17 0.00 -2.93 0.00 0.00 61.98 58.42 1n91 s VAL 47 Cb 0.09 -3.76 -0.10 0.00 -1.53 0.00 0.00 36.38 31.08 1n91 s VAL 47 CO 0.14 -0.17 0.79 0.44 -3.33 0.00 0.00 175.10 172.97 1n91 h ASP 48 N 1.89 -0.53 -0.74 3.54 3.32 -1.88 -0.92 116.42 121.09 1n91 h ASP 48 Ca -0.49 0.02 0.13 0.00 0.02 0.00 0.00 57.03 56.71 1n91 h ASP 48 Cb 1.20 0.14 -0.13 0.00 0.22 0.00 0.00 39.33 40.76 1n91 h ASP 48 CO 0.67 -0.18 -0.23 0.61 -1.72 0.00 0.00 179.24 178.39 1n91 n GLY 49 N 0.01 -1.38 0.07 2.75 0.00 -1.26 0.15 105.19 105.53 1n91 n GLY 49 Ca -0.08 0.81 -0.13 0.00 0.00 0.00 0.00 46.02 46.62 1n91 n GLY 49 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1n91 h GLN 50 N 0.00 -0.01 0.73 1.61 1.08 -1.93 -2.91 115.11 113.67 1n91 h GLN 50 Ca 0.31 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.48 1n91 h GLN 50 Cb 0.50 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.94 1n91 h GLN 50 CO -0.75 0.77 -0.35 0.00 -0.95 0.00 0.00 178.83 177.54 1n91 h ALA 51 N 0.11 -1.13 -1.01 3.87 0.00 0.41 -2.06 119.26 119.46 1n91 h ALA 51 Ca -0.00 -0.21 0.28 0.00 0.00 0.00 0.00 54.91 54.97 1n91 h ALA 51 Cb 0.78 0.38 -0.13 0.00 0.00 0.00 0.00 17.79 18.82 1n91 h ALA 51 CO 0.00 -1.06 0.59 -0.97 0.00 0.00 0.00 179.25 177.82 1n91 h ASN 52 N -1.09 0.61 0.13 0.00 -0.73 0.12 0.81 115.58 115.43 1n91 h ASN 52 Ca -0.10 0.16 -0.01 0.00 1.87 0.00 0.00 56.30 58.22 1n91 h ASN 52 Cb 0.75 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.41 1n91 h ASN 52 CO 0.16 0.01 -0.06 0.28 -0.37 0.00 0.00 177.43 177.45 1n91 h SER 53 N 0.48 -0.15 0.44 1.15 0.02 -1.37 -2.03 113.55 112.08 1n91 h SER 53 Ca 0.68 -0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.57 1n91 h SER 53 Cb 1.41 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.97 1n91 h SER 53 CO -0.52 -0.05 -0.42 0.45 -1.14 0.00 0.00 176.83 175.15 1n91 h HIS 54 N -0.24 -1.14 -0.62 3.45 3.86 -0.15 -0.92 115.15 119.38 1n91 h HIS 54 Ca -0.02 0.01 0.08 0.00 -1.16 0.00 0.00 60.37 59.28 1n91 h HIS 54 Cb 0.19 0.44 -0.10 0.00 1.06 0.00 0.00 27.41 29.00 1n91 h HIS 54 CO -0.05 -0.58 -0.49 1.25 0.86 0.00 0.00 177.93 178.92 1n91 h LEU 55 N -0.87 -1.71 -2.06 2.43 7.12 -1.23 1.60 115.31 120.59 1n91 h LEU 55 Ca -0.04 0.26 0.10 0.00 0.13 0.00 0.00 57.88 58.33 1n91 h LEU 55 Cb 0.76 0.75 -0.01 0.00 -0.53 0.00 0.00 40.66 41.63 1n91 h LEU 55 CO -0.05 -0.34 0.36 0.58 -0.13 0.00 0.00 178.44 178.86 1n91 h VAL 56 N -0.23 0.44 0.00 1.05 2.07 -1.15 0.18 116.25 118.60 1n91 h VAL 56 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1n91 h VAL 56 Cb 0.55 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1n91 h VAL 56 CO -0.72 0.00 -0.17 0.50 0.02 0.00 0.00 177.57 177.20 1n91 h LYS 57 N 0.00 0.00 -0.91 1.57 3.64 0.32 -0.51 116.57 120.68 1n91 h LYS 57 Ca 0.16 0.00 0.18 0.00 -1.27 0.00 0.00 60.65 59.72 1n91 h LYS 57 Cb 0.87 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.59 1n91 h LYS 57 CO -0.00 0.00 0.48 0.35 -2.27 0.00 0.00 179.45 178.01 1n91 h PHE 58 N -0.65 0.83 0.19 1.91 3.57 0.14 0.42 116.94 123.35 1n91 h PHE 58 Ca 0.00 0.04 -0.34 0.00 3.53 0.00 0.00 57.97 61.19 1n91 h PHE 58 Cb 0.17 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.69 1n91 h PHE 58 CO -0.07 0.13 -1.67 1.25 -2.23 0.00 0.00 178.31 175.72 1n91 h LEU 59 N 0.60 0.63 -1.64 0.59 5.85 -0.84 -2.97 115.31 117.54 1n91 h LEU 59 Ca 0.53 -0.93 0.03 0.00 0.84 0.00 0.00 57.88 58.34 1n91 h LEU 59 Cb 0.84 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 1n91 h LEU 59 CO -0.41 1.76 0.29 1.23 -0.34 0.00 0.00 178.44 180.97 1n91 h GLY 60 N 0.51 0.53 1.42 3.75 0.00 -0.32 0.72 103.07 109.68 1n91 h GLY 60 Ca -0.33 -0.19 -0.31 0.00 0.00 0.00 0.00 47.33 46.51 1n91 h GLY 60 CO 0.18 0.16 -1.39 0.07 0.00 0.00 0.00 176.54 175.57 1n91 h LYS 61 N 0.47 0.39 -0.05 4.80 2.10 -0.30 0.31 116.57 124.30 1n91 h LYS 61 Ca 0.17 -0.66 -0.19 0.00 -2.00 0.00 0.00 60.65 57.97 1n91 h LYS 61 Cb 0.11 0.25 0.01 0.00 -0.90 0.00 0.00 32.23 31.70 1n91 h LYS 61 CO -0.04 1.31 -0.72 1.96 -2.00 0.00 0.00 179.45 179.96 1n91 h GLN 62 N 0.11 0.57 0.00 0.07 4.20 -1.25 -3.24 115.11 115.57 1n91 h GLN 62 Ca -0.20 -0.55 0.00 0.00 0.06 0.00 0.00 58.65 57.96 1n91 h GLN 62 Cb 2.07 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.99 1n91 h GLN 62 CO 0.23 1.17 -0.57 0.74 -0.67 0.00 0.00 178.83 179.73 1n91 h PHE 63 N 0.17 0.00 0.00 2.96 0.04 0.30 -3.44 116.94 116.98 1n91 h PHE 63 Ca -0.08 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.69 1n91 h PHE 63 Cb 1.39 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.54 1n91 h PHE 63 CO 0.12 0.00 0.00 0.54 -0.60 0.00 0.00 178.31 178.37 1n91 n ARG 64 N -2.69 -1.58 -0.91 1.51 1.74 0.11 -2.94 116.66 111.91 1n91 n ARG 64 Ca 0.02 0.40 -0.30 0.00 -0.77 0.00 0.00 57.85 57.20 1n91 n ARG 64 Cb 0.52 -4.86 0.25 0.00 -1.02 0.00 0.00 32.46 27.35 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 -1.03 1.56 0.53 1.55 -7.23 -1.21 -4.90 120.40 109.67 1n91 s VAL 65 Ca 0.00 0.00 -0.03 0.00 -1.81 0.00 0.00 61.98 60.14 1n91 s VAL 65 Cb 0.00 -2.38 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1n91 s VAL 65 CO 0.00 0.00 0.79 0.00 -0.31 0.00 0.00 175.10 175.58 1n91 s ALA 66 N -2.82 3.53 0.10 1.32 0.00 -1.26 -4.89 121.76 117.74 1n91 s ALA 66 Ca 0.70 -0.88 0.31 0.00 0.00 0.00 0.00 51.96 52.08 1n91 s ALA 66 Cb -0.12 -2.38 1.22 0.00 0.00 0.00 0.00 23.12 21.84 1n91 s ALA 66 CO 0.57 -0.61 1.93 1.57 0.00 0.00 0.00 175.76 179.22 1n91 h LYS 67 N 0.09 0.00 0.00 0.00 5.09 -1.95 -1.74 116.57 118.05 1n91 h LYS 67 Ca -0.46 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.28 1n91 h LYS 67 Cb 1.26 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.59 1n91 h LYS 67 CO 0.59 0.06 -0.41 0.43 -2.09 0.00 0.00 179.45 178.03 1n91 n SER 68 N -3.19 0.55 -0.78 7.07 7.64 -1.26 -3.59 113.62 120.06 1n91 n SER 68 Ca 0.00 0.12 0.11 0.00 1.01 0.00 0.00 58.87 60.12 1n91 n SER 68 Cb 0.34 -0.03 0.07 0.00 -1.01 0.00 0.00 64.21 63.58 1n91 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n91 n GLN 69 N -1.85 1.89 -3.70 1.43 6.02 -0.68 -4.80 117.38 115.68 1n91 n GLN 69 Ca 0.05 -1.60 -0.38 0.00 -0.01 0.00 0.00 57.00 55.06 1n91 n GLN 69 Cb 0.39 -1.42 -0.11 0.00 1.02 0.00 0.00 30.24 30.12 1n91 n GLN 69 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1n91 s VAL 70 N -1.95 3.61 -0.24 5.09 0.11 -1.07 -0.26 120.40 125.67 1n91 s VAL 70 Ca 0.24 -1.91 -0.02 0.00 -2.93 0.00 0.00 61.98 57.35 1n91 s VAL 70 Cb 0.18 -3.41 0.01 0.00 -1.53 0.00 0.00 36.38 31.64 1n91 s VAL 70 CO 0.34 -0.68 -0.06 -0.69 -3.33 0.00 0.00 175.10 170.68 1n91 s VAL 71 N 1.23 3.02 -0.97 2.04 1.01 -0.75 -4.90 120.40 121.08 1n91 s VAL 71 Ca 0.07 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.02 1n91 s VAL 71 Cb -0.24 -2.47 0.14 0.00 0.00 0.00 0.00 36.38 33.81 1n91 s VAL 71 CO -0.03 0.28 1.16 -0.63 0.00 0.00 0.00 175.10 175.89 1n91 s ILE 72 N 1.38 4.81 -1.97 2.22 1.01 -1.26 0.52 121.20 127.91 1n91 s ILE 72 Ca 0.02 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 58.90 1n91 s ILE 72 Cb -0.16 -4.79 0.00 0.00 0.01 0.00 0.00 42.46 37.53 1n91 s ILE 72 CO -0.04 -1.51 0.63 -0.62 0.00 0.00 0.00 174.94 173.40 1n91 n GLU 73 N 6.30 0.64 0.00 2.79 -0.58 0.74 -4.72 120.64 125.80 1n91 n GLU 73 Ca 0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.00 1n91 n GLU 73 Cb 0.48 -1.01 0.00 0.00 -0.57 0.00 0.00 31.44 30.34 1n91 n GLU 73 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1n91 n LYS 74 N -0.48 0.00 0.00 3.49 5.02 -1.20 -4.83 118.16 120.16 1n91 n LYS 74 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1n91 n LYS 74 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 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 -0.60 1.80 0.32 0.72 0.00 -0.88 0.63 105.19 107.18 1n91 n GLY 75 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.22 1n91 n GLY 75 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n91 n GLU 76 N 0.00 -0.07 0.00 1.61 2.13 -1.26 -3.96 120.64 119.09 1n91 n GLU 76 Ca 0.00 1.40 0.00 0.00 0.66 0.00 0.00 57.16 59.22 1n91 n GLU 76 Cb 0.00 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 29.39 1n91 n GLU 76 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1n91 n LEU 77 N -5.34 0.57 -4.76 4.31 -0.00 -1.26 -4.46 117.00 106.06 1n91 n LEU 77 Ca 0.27 0.00 -0.35 0.00 -0.00 0.00 0.00 56.01 55.93 1n91 n LEU 77 Cb 0.91 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 44.36 1n91 n LEU 77 CO -0.04 -0.03 0.80 -0.83 -0.00 0.00 0.00 177.39 177.29 1n91 s GLY 78 N -3.88 2.55 0.43 -3.96 0.00 -1.25 -4.91 107.32 96.30 1n91 s GLY 78 Ca 0.00 0.86 0.10 0.00 0.00 0.00 0.00 44.72 45.67 1n91 s GLY 78 CO 0.00 1.23 2.06 3.21 0.00 0.00 0.00 173.10 179.60 1n91 h ARG 79 N 0.66 0.35 -6.55 2.90 3.08 -1.87 -3.39 114.38 109.56 1n91 h ARG 79 Ca -0.49 -0.03 -0.53 0.00 0.07 0.00 0.00 59.98 59.00 1n91 h ARG 79 Cb 1.28 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 31.28 1n91 h ARG 79 CO 0.55 0.27 0.73 -3.38 -1.07 0.00 0.00 179.97 177.07 1n91 s HIS 80 N -5.24 3.23 0.00 3.04 -3.43 -1.26 -1.57 115.29 110.06 1n91 s HIS 80 Ca -0.07 0.94 0.01 0.00 -0.80 0.00 0.00 55.06 55.14 1n91 s HIS 80 Cb 0.17 -3.69 -0.01 0.00 -1.43 0.00 0.00 32.58 27.62 1n91 s HIS 80 CO 0.72 -2.43 -0.03 0.21 -2.00 0.00 0.00 174.74 171.20 1n91 s LYS 81 N 1.11 0.26 -0.11 -0.38 2.20 -0.67 -2.07 119.74 120.08 1n91 s LYS 81 Ca 0.65 -0.19 -0.03 0.00 -0.36 0.00 0.00 55.97 56.04 1n91 s LYS 81 Cb -0.37 -0.20 0.05 0.00 -1.51 0.00 0.00 37.83 35.79 1n91 s LYS 81 CO 0.30 0.05 0.07 -0.65 -0.36 0.00 0.00 175.35 174.76 1n91 s GLN 82 N -0.28 0.06 -0.07 4.03 -1.52 0.20 -1.60 119.66 120.48 1n91 s GLN 82 Ca -0.01 0.10 0.04 0.00 -1.95 0.00 0.00 55.36 53.54 1n91 s GLN 82 Cb -0.02 -1.26 -0.02 0.00 -0.22 0.00 0.00 33.01 31.49 1n91 s GLN 82 CO -0.00 -0.51 -0.19 0.42 -0.25 0.00 0.00 175.29 174.75 1n91 s ILE 83 N 2.13 2.56 -0.41 1.08 1.01 0.12 -0.19 121.20 127.50 1n91 s ILE 83 Ca 0.03 -0.88 -0.11 0.00 0.00 0.00 0.00 60.65 59.69 1n91 s ILE 83 Cb -0.14 -1.99 0.06 0.00 0.01 0.00 0.00 42.46 40.40 1n91 s ILE 83 CO -0.06 0.57 0.27 -0.75 0.00 0.00 0.00 174.94 174.96 1n91 s LYS 84 N -0.25 2.75 -0.82 2.79 2.36 0.19 0.10 119.74 126.85 1n91 s LYS 84 Ca 0.00 -1.31 -0.17 0.00 -2.55 0.00 0.00 55.97 51.94 1n91 s LYS 84 Cb -0.13 -3.83 0.16 0.00 -1.05 0.00 0.00 37.83 32.98 1n91 s LYS 84 CO 0.03 -0.88 0.90 0.42 1.55 0.00 0.00 175.35 177.36 1n91 s ILE 85 N 1.51 5.10 0.57 5.43 1.09 -0.14 -1.81 121.20 132.95 1n91 s ILE 85 Ca 0.03 -1.81 -0.15 0.00 -1.10 0.00 0.00 60.65 57.61 1n91 s ILE 85 Cb -0.22 -4.60 -0.05 0.00 -1.06 0.00 0.00 42.46 36.53 1n91 s ILE 85 CO 0.04 -1.24 1.02 -0.63 -0.10 0.00 0.00 174.94 174.03 1n91 s ILE 86 N 1.70 4.24 -0.65 2.92 1.01 0.64 -2.69 121.20 128.36 1n91 s ILE 86 Ca 0.23 1.01 -0.12 0.00 0.00 0.00 0.00 60.65 61.77 1n91 s ILE 86 Cb -0.11 -3.58 0.02 0.00 0.01 0.00 0.00 42.46 38.80 1n91 s ILE 86 CO -0.06 -0.67 0.57 0.59 0.00 0.00 0.00 174.94 175.37 1n91 n ASN 87 N -1.96 -4.60 -4.73 3.58 5.03 -1.13 -4.79 115.26 106.66 1n91 n ASN 87 Ca 0.07 -0.66 -0.41 0.00 0.87 0.00 0.00 54.58 54.45 1n91 n ASN 87 Cb 0.54 -1.46 -0.03 0.00 -1.02 0.00 0.00 39.78 37.80 1n91 n ASN 87 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1n91 s PRO 88 N -3.92 4.50 -0.05 3.52 0.02 -1.26 -4.84 135.00 132.97 1n91 s PRO 88 Ca 0.12 1.77 0.10 0.00 0.02 0.00 0.00 61.00 63.01 1n91 s PRO 88 Cb -0.01 -3.30 -0.14 0.00 0.02 0.00 0.00 34.50 31.06 1n91 s PRO 88 CO 0.82 -0.12 0.14 1.04 -0.33 0.00 0.00 177.00 178.56 1n91 n GLN 89 N 3.13 1.20 -3.66 5.54 1.13 -1.26 -4.97 117.38 118.49 1n91 n GLN 89 Ca 0.06 -0.06 -0.13 0.00 -1.94 0.00 0.00 57.00 54.93 1n91 n GLN 89 Cb 0.46 -1.24 -0.13 0.00 0.11 0.00 0.00 30.24 29.44 1n91 n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 1n91 s GLN 90 N -2.51 0.17 -0.21 -1.09 0.74 -1.15 -5.06 119.66 110.54 1n91 s GLN 90 Ca -0.04 0.78 -0.03 0.00 0.05 0.00 0.00 55.36 56.12 1n91 s GLN 90 Cb 0.05 0.01 0.00 0.00 1.10 0.00 0.00 33.01 34.17 1n91 s GLN 90 CO 0.41 -0.28 -0.08 -1.50 -0.55 0.00 0.00 175.29 173.29 1n91 s ILE 91 N 2.42 3.04 0.53 -2.34 2.07 -1.26 -4.22 121.20 121.44 1n91 s ILE 91 Ca 0.01 -0.64 -0.21 0.00 -1.41 0.00 0.00 60.65 58.40 1n91 s ILE 91 Cb -0.12 -2.38 -0.06 0.00 0.13 0.00 0.00 42.46 40.03 1n91 s ILE 91 CO -0.09 0.43 1.22 -2.84 -1.91 0.00 0.00 174.94 171.75 1n91 s PRO 92 N 1.42 3.35 0.53 3.50 0.02 -1.26 -4.81 135.00 137.76 1n91 s PRO 92 Ca 0.05 1.89 0.31 0.00 0.02 0.00 0.00 61.00 63.27 1n91 s PRO 92 Cb -0.14 -2.20 1.47 0.00 0.02 0.00 0.00 34.50 33.65 1n91 s PRO 92 CO -0.06 -0.92 1.89 -1.00 -0.33 0.00 0.00 177.00 176.59 1n91 h PRO 93 N 1.50 0.02 0.27 5.54 0.13 -1.99 -1.18 132.00 136.29 1n91 h PRO 93 Ca -0.50 -0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.63 1n91 h PRO 93 Cb 1.28 -0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 1n91 h PRO 93 CO 0.58 0.01 -0.42 1.49 -0.23 0.00 0.00 178.00 179.43 1n91 h GLU 94 N 0.02 -0.73 0.00 0.86 4.22 -2.00 1.37 114.58 118.32 1n91 h GLU 94 Ca 0.43 0.05 -0.03 0.00 0.08 0.00 0.00 59.36 59.89 1n91 h GLU 94 Cb 1.70 0.17 -0.00 0.00 0.50 0.00 0.00 28.75 31.11 1n91 h GLU 94 CO -0.01 -0.49 -0.13 0.28 -2.18 0.00 0.00 179.01 176.49 1n91 h VAL 95 N -0.76 0.26 -0.01 0.32 2.07 -1.77 -3.07 116.25 113.28 1n91 h VAL 95 Ca -0.01 -1.06 -0.21 0.00 0.82 0.00 0.00 66.70 66.24 1n91 h VAL 95 Cb 0.72 1.86 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1n91 h VAL 95 CO -0.15 0.12 -0.89 0.00 0.02 0.00 0.00 177.57 176.68 1n91 h ALA 96 N 1.87 0.46 -0.00 1.67 0.00 -0.33 -2.71 119.26 120.22 1n91 h ALA 96 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1n91 h ALA 96 Cb 0.85 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 1n91 h ALA 96 CO 0.02 0.84 0.11 0.00 0.00 0.00 0.00 179.25 180.22 1n91 h ALA 97 N 0.86 1.13 0.00 0.00 0.00 0.19 2.23 119.26 123.66 1n91 h ALA 97 Ca -0.06 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.69 1n91 h ALA 97 Cb 1.51 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.27 1n91 h ALA 97 CO 0.15 -0.12 -2.02 1.28 0.00 0.00 0.00 179.25 178.54 1n91 n LEU 98 N -3.03 0.00 -0.05 0.00 4.77 -1.18 -3.97 117.00 113.54 1n91 n LEU 98 Ca -0.03 0.00 -0.05 0.00 -0.03 0.00 0.00 56.01 55.91 1n91 n LEU 98 Cb 0.18 0.22 -0.14 0.00 -2.33 0.00 0.00 43.42 41.34 1n91 n LEU 98 CO 0.18 0.22 -0.84 -0.38 -1.33 0.00 0.00 177.39 175.24 1n91 n ILE 99 N -2.39 1.17 0.91 -0.08 5.41 -0.41 -4.14 119.36 119.84 1n91 n ILE 99 Ca -0.16 -0.76 0.13 0.00 1.00 0.00 0.00 62.75 62.96 1n91 n ILE 99 Cb 0.78 -0.53 0.40 0.00 -0.71 0.00 0.00 39.64 39.58 1n91 n ILE 99 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 176.55 173.35 1n91 n ASN 100 N -2.75 0.35 0.00 4.38 2.85 0.74 -4.38 115.26 116.46 1n91 n ASN 100 Ca -0.22 0.17 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1n91 n ASN 100 Cb 0.99 -0.16 0.00 0.00 1.24 0.00 0.00 39.78 41.86 1n91 n ASN 100 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 1n91 n LEU 101 N -1.64 1.12 -1.67 1.20 7.94 -1.25 -4.80 117.00 117.89 1n91 n LEU 101 Ca 0.06 0.27 -0.09 0.00 -1.11 0.00 0.00 56.01 55.14 1n91 n LEU 101 Cb 0.36 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.28 1n91 n LEU 101 CO 0.32 0.00 -0.10 -0.62 -1.11 0.00 0.00 177.39 175.88 1n91 n GLU 102 N -0.46 -1.61 -3.63 1.96 -0.58 -1.26 -4.87 120.64 110.18 1n91 n GLU 102 Ca 0.00 0.52 -0.18 0.00 -0.42 0.00 0.00 57.16 57.08 1n91 n GLU 102 Cb 0.00 -4.83 -0.16 0.00 -0.57 0.00 0.00 31.44 25.88 1n91 n GLU 102 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1n91 s HIS 103 N -2.02 -0.13 0.51 -0.32 2.46 -1.26 -5.14 115.29 109.38 1n91 s HIS 103 Ca 0.00 0.42 -0.21 0.00 0.47 0.00 0.00 55.06 55.75 1n91 s HIS 103 Cb 0.00 -0.34 -0.09 0.00 -0.13 0.00 0.00 32.58 32.02 1n91 s HIS 103 CO 0.00 -0.34 0.74 0.72 -2.47 0.00 0.00 174.74 173.39 1n91 n HIS 104 N 5.32 0.13 -2.04 3.88 8.25 -1.26 -4.98 115.22 124.51 1n91 n HIS 104 Ca -0.05 0.50 0.00 0.00 -0.26 0.00 0.00 57.72 57.91 1n91 n HIS 104 Cb 0.50 -2.07 0.00 0.00 1.12 0.00 0.00 29.99 29.54 1n91 n HIS 104 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1n91 n HIS 105 N -1.23 0.00 -3.74 4.41 1.44 -1.26 -5.17 115.22 109.67 1n91 n HIS 105 Ca 0.11 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.69 1n91 n HIS 105 Cb 0.44 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.40 1n91 n HIS 105 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 1n91 s HIS 106 N -2.58 -0.17 0.00 -1.40 3.76 -1.26 -5.01 115.29 108.62 1n91 s HIS 106 Ca 0.00 0.51 0.00 0.00 -0.15 0.00 0.00 55.06 55.42 1n91 s HIS 106 Cb 0.00 -0.10 0.00 0.00 1.11 0.00 0.00 32.58 33.59 1n91 s HIS 106 CO 0.00 -0.18 0.00 -2.39 -0.85 0.00 0.00 174.74 171.32 1n91 n HIS 107 N 4.32 0.00 -1.75 1.40 -0.00 -1.26 -5.33 115.22 112.60 1n91 n HIS 107 Ca -0.24 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.48 1n91 n HIS 107 Cb 0.51 0.09 0.00 0.00 -0.00 0.00 0.00 29.99 30.59 1n91 n HIS 107 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92