#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n43 h ILE 17 N 0.00 1.28 -2.08 -0.61 2.04 -1.97 -3.44 117.51 112.72 1n43 h ILE 17 Ca 0.00 -2.03 -0.61 0.00 1.00 0.00 0.00 64.86 63.22 1n43 h ILE 17 Cb 0.00 2.06 0.04 0.00 -0.74 0.00 0.00 36.82 38.18 1n43 h ILE 17 CO 0.00 0.64 0.90 0.41 0.00 0.00 0.00 178.15 180.10 1n43 n THR 18 N -3.92 0.26 -1.01 -0.27 -1.04 -1.26 -4.83 114.28 102.21 1n43 n THR 18 Ca -0.08 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 1n43 n THR 18 Cb 0.78 -1.60 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 1n43 n THR 18 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1n43 n GLY 19 N 3.80 -2.00 3.56 3.41 0.00 -0.51 -5.00 105.19 108.45 1n43 n GLY 19 Ca 0.20 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1n43 n GLY 19 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n43 s THR 20 N -2.15 5.02 0.16 2.61 2.01 -1.26 -2.10 115.64 119.92 1n43 s THR 20 Ca 0.00 0.07 0.08 0.00 0.31 0.00 0.00 61.69 62.15 1n43 s THR 20 Cb 0.00 -3.37 -0.04 0.00 0.01 0.00 0.00 72.50 69.10 1n43 s THR 20 CO 0.00 0.30 -0.08 0.26 -0.69 0.00 0.00 174.62 174.41 1n43 s TRP 21 N 1.57 2.69 -0.05 4.92 0.52 -0.11 -4.48 118.94 124.00 1n43 s TRP 21 Ca 0.07 -0.19 0.05 0.00 0.02 0.00 0.00 56.10 56.05 1n43 s TRP 21 Cb -0.15 -1.34 -0.01 0.00 -1.15 0.00 0.00 33.47 30.82 1n43 s TRP 21 CO 0.08 0.49 -0.22 0.71 0.02 0.00 0.00 176.95 178.03 1n43 s TYR 22 N -1.59 2.13 0.67 -1.98 1.51 0.28 -0.81 117.35 117.56 1n43 s TYR 22 Ca 0.24 -0.61 -0.08 0.00 -1.01 0.00 0.00 57.07 55.61 1n43 s TYR 22 Cb -0.09 -1.41 0.03 0.00 -0.11 0.00 0.00 41.96 40.38 1n43 s TYR 22 CO 0.15 -0.19 1.01 0.00 -1.11 0.00 0.00 175.55 175.42 1n43 s ALA 23 N -0.11 3.08 0.44 3.71 0.00 -0.01 -1.89 121.76 126.98 1n43 s ALA 23 Ca -0.03 -0.65 0.24 0.00 0.00 0.00 0.00 51.96 51.52 1n43 s ALA 23 Cb -0.13 -2.76 1.36 0.00 0.00 0.00 0.00 23.12 21.59 1n43 s ALA 23 CO 0.03 -1.12 2.07 -0.56 0.00 0.00 0.00 175.76 176.18 1n43 h GLN 24 N -0.51 0.00 0.00 0.00 -0.00 -1.79 0.15 115.11 112.96 1n43 h GLN 24 Ca -0.45 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.18 1n43 h GLN 24 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.76 1n43 h GLN 24 CO 0.62 0.13 -0.10 -0.07 -0.00 0.00 0.00 178.83 179.41 1n43 h LEU 25 N 0.00 0.00 0.00 0.06 3.38 -1.92 -3.47 115.31 113.36 1n43 h LEU 25 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1n43 h LEU 25 Cb 0.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 1n43 h LEU 25 CO 0.02 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.25 1n43 n GLY 26 N -0.18 0.34 3.71 0.83 0.00 0.52 -4.67 105.19 105.75 1n43 n GLY 26 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1n43 n GLY 26 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1n43 s SER 27 N -2.44 3.83 -0.11 1.61 0.01 -1.26 -4.63 113.70 110.71 1n43 s SER 27 Ca 0.00 2.22 0.02 0.00 1.31 0.00 0.00 55.95 59.50 1n43 s SER 27 Cb 0.00 -2.57 -0.01 0.00 0.21 0.00 0.00 66.02 63.65 1n43 s SER 27 CO 0.00 -2.50 -0.19 -0.89 0.41 0.00 0.00 173.24 170.07 1n43 s THR 28 N -2.34 2.47 -0.31 1.44 2.01 0.57 -0.83 115.64 118.65 1n43 s THR 28 Ca 0.70 -0.87 0.02 0.00 0.31 0.00 0.00 61.69 61.85 1n43 s THR 28 Cb -0.25 -1.99 0.09 0.00 0.01 0.00 0.00 72.50 70.36 1n43 s THR 28 CO 0.51 0.55 0.05 0.12 -0.69 0.00 0.00 174.62 175.15 1n43 s PHE 29 N 0.35 2.88 -0.24 4.92 5.36 0.01 0.01 117.98 131.27 1n43 s PHE 29 Ca -0.16 -2.39 -0.07 0.00 -0.96 0.00 0.00 56.93 53.36 1n43 s PHE 29 Cb -0.17 -2.30 -0.03 0.00 -0.34 0.00 0.00 43.02 40.18 1n43 s PHE 29 CO 0.08 -0.90 0.06 0.42 -1.46 0.00 0.00 175.22 173.42 1n43 s ILE 30 N 1.21 4.32 0.06 3.12 1.01 0.12 -0.93 121.20 130.11 1n43 s ILE 30 Ca 0.08 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.60 1n43 s ILE 30 Cb -0.18 -3.00 -0.03 0.00 0.01 0.00 0.00 42.46 39.26 1n43 s ILE 30 CO -0.13 0.36 -0.14 -0.69 0.00 0.00 0.00 174.94 174.34 1n43 s VAL 31 N 1.40 1.10 -0.09 2.92 1.01 -0.89 -0.42 120.40 125.42 1n43 s VAL 31 Ca 0.05 -1.18 0.00 0.00 0.00 0.00 0.00 61.98 60.85 1n43 s VAL 31 Cb -0.15 -1.04 0.02 0.00 0.00 0.00 0.00 36.38 35.22 1n43 s VAL 31 CO 0.03 -0.14 -0.08 -0.89 0.00 0.00 0.00 175.10 174.03 1n43 s THR 32 N -1.11 0.95 -0.43 3.92 2.01 0.15 -1.42 115.64 119.71 1n43 s THR 32 Ca -0.01 -0.28 -0.16 0.00 0.31 0.00 0.00 61.69 61.56 1n43 s THR 32 Cb -0.09 -0.96 0.03 0.00 0.01 0.00 0.00 72.50 71.49 1n43 s THR 32 CO 0.02 0.35 0.36 0.00 -0.69 0.00 0.00 174.62 174.65 1n43 s ALA 33 N 1.46 3.49 0.62 7.40 0.00 -1.26 -1.53 121.76 131.94 1n43 s ALA 33 Ca -0.00 -1.79 -0.14 0.00 0.00 0.00 0.00 51.96 50.03 1n43 s ALA 33 Cb -0.13 -2.98 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1n43 s ALA 33 CO -0.05 -1.57 1.06 0.20 0.00 0.00 0.00 175.76 175.40 1n43 s GLY 34 N 1.96 2.02 0.13 0.00 0.00 0.10 -4.92 107.32 106.61 1n43 s GLY 34 Ca 0.06 0.33 0.15 0.00 0.00 0.00 0.00 44.72 45.26 1n43 s GLY 34 CO 0.10 0.64 1.47 0.00 0.00 0.00 0.00 173.10 175.32 1n43 n ALA 35 N -2.32 1.40 1.63 3.20 0.00 -1.26 -1.82 120.51 121.35 1n43 n ALA 35 Ca 0.09 0.05 0.11 0.00 0.00 0.00 0.00 53.44 53.68 1n43 n ALA 35 Cb 0.53 -1.24 0.50 0.00 0.00 0.00 0.00 19.45 19.23 1n43 n ALA 35 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1n43 n ASP 36 N -1.85 0.82 0.00 0.00 5.75 -1.26 -4.87 116.55 115.13 1n43 n ASP 36 Ca 0.01 -1.52 0.00 0.00 -0.01 0.00 0.00 54.79 53.27 1n43 n ASP 36 Cb 0.13 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1n43 n ASP 36 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n43 n GLY 37 N 0.98 0.65 3.88 6.12 0.00 -0.76 -5.02 105.19 111.04 1n43 n GLY 37 Ca 0.16 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1n43 n GLY 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n43 s ALA 38 N -2.00 3.42 -0.09 4.61 0.00 -1.23 -1.48 121.76 124.99 1n43 s ALA 38 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1n43 s ALA 38 Cb 0.00 -2.61 0.01 0.00 0.00 0.00 0.00 23.12 20.52 1n43 s ALA 38 CO 0.00 0.12 -0.18 -0.51 0.00 0.00 0.00 175.76 175.19 1n43 s LEU 39 N -3.61 1.85 -0.11 0.00 1.02 -0.27 -0.72 118.68 116.84 1n43 s LEU 39 Ca 0.50 -0.43 -0.09 0.00 0.02 0.00 0.00 54.13 54.12 1n43 s LEU 39 Cb -0.10 -1.12 0.03 0.00 0.02 0.00 0.00 46.19 45.02 1n43 s LEU 39 CO 0.29 0.08 0.29 0.42 0.02 0.00 0.00 176.35 177.45 1n43 s THR 40 N 0.58 -0.01 -1.04 5.49 -4.23 -0.58 -1.00 115.64 114.86 1n43 s THR 40 Ca -0.15 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 60.40 1n43 s THR 40 Cb -0.17 -0.42 0.00 0.00 1.34 0.00 0.00 72.50 73.26 1n43 s THR 40 CO 0.05 0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.76 1n43 n GLY 41 N 3.31 -0.76 3.03 3.99 0.00 -1.05 0.30 105.19 114.01 1n43 n GLY 41 Ca -0.16 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.41 1n43 n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n43 s THR 42 N -4.00 0.27 -0.04 2.61 -4.23 0.43 -1.31 115.64 109.38 1n43 s THR 42 Ca 0.00 -1.14 0.05 0.00 -1.18 0.00 0.00 61.69 59.42 1n43 s THR 42 Cb 0.00 -0.61 -0.01 0.00 1.34 0.00 0.00 72.50 73.22 1n43 s THR 42 CO 0.00 -0.56 -0.20 -0.47 -0.54 0.00 0.00 174.62 172.85 1n43 s TYR 43 N -1.92 1.88 -0.14 3.99 6.14 0.36 0.15 117.35 127.81 1n43 s TYR 43 Ca -0.10 -0.49 -0.01 0.00 0.64 0.00 0.00 57.07 57.11 1n43 s TYR 43 Cb -0.07 -1.24 0.04 0.00 0.42 0.00 0.00 41.96 41.11 1n43 s TYR 43 CO -0.02 -0.14 -0.03 -2.00 0.64 0.00 0.00 175.55 174.01 1n43 s GLU 44 N -0.15 1.13 0.19 4.97 2.12 0.10 -0.23 118.70 126.83 1n43 s GLU 44 Ca -0.00 -0.33 -0.22 0.00 0.36 0.00 0.00 54.97 54.77 1n43 s GLU 44 Cb -0.11 -1.75 -0.08 0.00 0.26 0.00 0.00 34.13 32.45 1n43 s GLU 44 CO 0.02 -0.42 0.75 0.45 -0.54 0.00 0.00 175.26 175.51 1n43 s SER 45 N 1.76 7.22 0.17 -1.70 0.15 -1.26 -0.32 113.70 119.72 1n43 s SER 45 Ca 0.02 1.53 0.26 0.00 0.70 0.00 0.00 55.95 58.46 1n43 s SER 45 Cb -0.15 -2.46 0.91 0.00 -1.71 0.00 0.00 66.02 62.61 1n43 s SER 45 CO -0.07 0.13 1.79 0.00 1.20 0.00 0.00 173.24 176.29 1n43 n ALA 46 N 1.18 2.22 -2.26 5.45 0.00 -1.26 -4.88 120.51 120.96 1n43 n ALA 46 Ca -0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1n43 n ALA 46 Cb 0.50 -1.46 -0.10 0.00 0.00 0.00 0.00 19.45 18.40 1n43 n ALA 46 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1n43 s VAL 47 N -3.10 0.01 0.00 0.00 -7.23 -1.26 -4.99 120.40 103.83 1n43 s VAL 47 Ca 0.11 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.32 1n43 s VAL 47 Cb 0.13 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.63 1n43 s VAL 47 CO 0.56 -0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.92 1n43 n GLY 48 N -0.26 -1.99 2.76 2.32 0.00 -1.26 -4.55 105.19 102.21 1n43 n GLY 48 Ca 0.01 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 1n43 n GLY 48 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1n43 n ASN 49 N 0.71 4.01 -3.75 1.61 2.85 -1.26 -4.87 115.26 114.57 1n43 n ASN 49 Ca 0.00 -2.87 -0.13 0.00 -0.11 0.00 0.00 54.58 51.47 1n43 n ASN 49 Cb 0.00 -1.64 -0.09 0.00 1.24 0.00 0.00 39.78 39.29 1n43 n ASN 49 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1n43 s ALA 50 N 2.93 -0.84 -0.08 5.20 0.00 -1.26 -4.47 121.76 123.23 1n43 s ALA 50 Ca 0.46 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.73 1n43 s ALA 50 Cb 0.13 -0.03 0.04 0.00 0.00 0.00 0.00 23.12 23.26 1n43 s ALA 50 CO -0.08 -0.25 0.41 -1.83 0.00 0.00 0.00 175.76 174.01 1n43 s GLU 51 N -1.09 0.64 3.01 0.00 -1.05 -1.26 -4.96 118.70 113.98 1n43 s GLU 51 Ca -0.11 0.21 0.00 0.00 -0.15 0.00 0.00 54.97 54.92 1n43 s GLU 51 Cb -0.05 0.30 0.00 0.00 -0.44 0.00 0.00 34.13 33.94 1n43 s GLU 51 CO 0.04 -0.14 0.00 0.45 0.95 0.00 0.00 175.26 176.55 1n43 n SER 52 N 1.94 -1.80 -4.90 0.83 2.88 -1.26 -4.82 113.62 106.50 1n43 n SER 52 Ca -0.17 0.00 -0.32 0.00 -1.33 0.00 0.00 58.87 57.05 1n43 n SER 52 Cb 0.57 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.98 1n43 n SER 52 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1n43 s ARG 53 N 0.00 3.63 0.01 -1.46 0.52 -1.26 -4.47 118.95 115.92 1n43 s ARG 53 Ca 0.00 -0.06 0.07 0.00 -0.52 0.00 0.00 55.73 55.22 1n43 s ARG 53 Cb 0.00 -2.84 -0.02 0.00 0.52 0.00 0.00 34.95 32.61 1n43 s ARG 53 CO 0.00 0.46 -0.23 0.71 0.02 0.00 0.00 175.30 176.27 1n43 s TYR 54 N -1.66 2.00 0.47 -0.53 1.51 0.68 -4.86 117.35 114.97 1n43 s TYR 54 Ca 0.41 -0.38 -0.24 0.00 -1.01 0.00 0.00 57.07 55.85 1n43 s TYR 54 Cb -0.12 -1.25 -0.07 0.00 -0.11 0.00 0.00 41.96 40.41 1n43 s TYR 54 CO 0.24 0.02 1.29 0.08 -1.11 0.00 0.00 175.55 176.07 1n43 s VAL 55 N -0.64 2.53 0.06 0.71 1.01 -1.26 -0.49 120.40 122.33 1n43 s VAL 55 Ca 0.09 0.43 0.03 0.00 0.00 0.00 0.00 61.98 62.53 1n43 s VAL 55 Cb -0.09 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.03 1n43 s VAL 55 CO 0.00 0.02 -0.10 -1.48 0.00 0.00 0.00 175.10 173.55 1n43 s LEU 56 N -3.01 2.30 -0.01 3.92 0.05 -0.43 -4.46 118.68 117.05 1n43 s LEU 56 Ca 0.64 -0.64 -0.02 0.00 0.05 0.00 0.00 54.13 54.16 1n43 s LEU 56 Cb -0.36 -0.26 -0.00 0.00 -2.05 0.00 0.00 46.19 43.51 1n43 s LEU 56 CO 0.45 -0.20 0.04 0.28 -0.55 0.00 0.00 176.35 176.37 1n43 s THR 57 N -1.67 0.04 0.00 5.48 -1.32 -1.12 -2.52 115.64 114.53 1n43 s THR 57 Ca -0.04 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.12 1n43 s THR 57 Cb -0.08 -0.17 0.00 0.00 -1.51 0.00 0.00 72.50 70.74 1n43 s THR 57 CO 0.00 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 1n43 n GLY 58 N 2.49 1.91 2.98 6.08 0.00 -0.17 -0.95 105.19 117.53 1n43 n GLY 58 Ca -0.16 -0.88 -0.10 0.00 0.00 0.00 0.00 46.02 44.88 1n43 n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1n43 s ARG 59 N -0.98 0.27 0.24 1.61 1.81 -0.37 -1.11 118.95 120.42 1n43 s ARG 59 Ca 0.00 -0.45 0.01 0.00 -1.72 0.00 0.00 55.73 53.57 1n43 s ARG 59 Cb 0.00 0.10 -0.05 0.00 -0.45 0.00 0.00 34.95 34.55 1n43 s ARG 59 CO 0.00 -0.05 0.08 1.52 -0.68 0.00 0.00 175.30 176.17 1n43 s TYR 60 N -1.14 1.44 -0.49 -0.53 1.13 -0.55 -1.25 117.35 115.96 1n43 s TYR 60 Ca -0.12 -1.17 -0.24 0.00 -1.41 0.00 0.00 57.07 54.12 1n43 s TYR 60 Cb -0.08 -0.82 0.03 0.00 -1.10 0.00 0.00 41.96 39.99 1n43 s TYR 60 CO -0.00 -0.35 0.89 0.34 -2.51 0.00 0.00 175.55 173.92 1n43 s ASP 61 N -3.27 6.41 0.18 -0.18 2.15 -0.35 -4.73 116.67 116.88 1n43 s ASP 61 Ca 0.35 -0.15 0.22 0.00 0.43 0.00 0.00 52.55 53.40 1n43 s ASP 61 Cb 0.07 -2.42 0.89 0.00 -0.30 0.00 0.00 42.92 41.16 1n43 s ASP 61 CO 0.12 -1.08 1.67 -1.54 -0.17 0.00 0.00 175.17 174.16 1n43 n SER 62 N 7.15 0.49 -3.22 -0.34 3.41 -1.26 -3.71 113.62 116.14 1n43 n SER 62 Ca 0.03 0.61 -0.24 0.00 -0.26 0.00 0.00 58.87 59.01 1n43 n SER 62 Cb 0.48 -0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 63.65 1n43 n SER 62 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1n43 n ALA 63 N -1.70 2.87 -1.29 7.33 0.00 -1.26 -5.06 120.51 121.39 1n43 n ALA 63 Ca 0.03 -3.79 -0.37 0.00 0.00 0.00 0.00 53.44 49.31 1n43 n ALA 63 Cb 0.24 -0.84 0.06 0.00 0.00 0.00 0.00 19.45 18.90 1n43 n ALA 63 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1n43 n PRO 64 N 0.97 0.31 -1.12 0.00 -0.04 -1.24 -4.97 135.00 128.91 1n43 n PRO 64 Ca 0.24 0.14 -0.34 0.00 -0.04 0.00 0.00 63.50 63.51 1n43 n PRO 64 Cb 0.52 -1.72 0.13 0.00 -0.04 0.00 0.00 33.50 32.39 1n43 n PRO 64 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1n43 n ALA 65 N -2.19 -0.01 -0.92 0.55 0.00 -1.26 -4.93 120.51 111.75 1n43 n ALA 65 Ca 0.10 -0.32 0.08 0.00 0.00 0.00 0.00 53.44 53.30 1n43 n ALA 65 Cb 0.49 -2.25 0.31 0.00 0.00 0.00 0.00 19.45 18.01 1n43 n ALA 65 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1n43 n THR 66 N -3.25 2.39 0.69 0.00 -2.24 -1.26 -4.55 114.28 106.05 1n43 n THR 66 Ca 0.14 -1.66 0.11 0.00 -2.27 0.00 0.00 64.05 60.37 1n43 n THR 66 Cb 0.50 -0.22 0.08 0.00 -2.10 0.00 0.00 70.33 68.59 1n43 n THR 66 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1n43 n ASP 67 N -0.02 0.63 0.00 3.42 5.68 -1.26 -4.90 116.55 120.10 1n43 n ASP 67 Ca 0.23 -0.24 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1n43 n ASP 67 Cb 0.98 0.61 0.00 0.00 -1.14 0.00 0.00 41.12 41.57 1n43 n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n43 n GLY 68 N 1.40 1.34 3.69 6.12 0.00 -1.26 -5.11 105.19 111.37 1n43 n GLY 68 Ca 0.03 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 1n43 n GLY 68 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1n43 n SER 69 N 0.00 2.83 -3.43 1.61 7.64 -1.26 -5.01 113.62 116.00 1n43 n SER 69 Ca 0.00 1.17 -0.29 0.00 1.01 0.00 0.00 58.87 60.75 1n43 n SER 69 Cb 0.00 -1.46 0.26 0.00 -1.01 0.00 0.00 64.21 62.00 1n43 n SER 69 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1n43 n GLY 70 N 1.66 -3.15 3.37 0.23 0.00 -1.26 -4.77 105.19 101.27 1n43 n GLY 70 Ca 0.09 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.29 1n43 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n43 s THR 71 N -2.66 4.38 0.31 2.61 2.01 -0.51 -4.77 115.64 117.01 1n43 s THR 71 Ca 0.68 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1n43 s THR 71 Cb -0.08 -3.38 -0.12 0.00 0.01 0.00 0.00 72.50 68.92 1n43 s THR 71 CO 0.54 -0.12 1.42 0.00 -0.69 0.00 0.00 174.62 175.77 1n43 n ALA 72 N 4.95 1.69 -3.47 7.40 0.00 -1.26 -1.14 120.51 128.68 1n43 n ALA 72 Ca -0.13 0.37 -0.08 0.00 0.00 0.00 0.00 53.44 53.61 1n43 n ALA 72 Cb 0.47 -2.33 -0.04 0.00 0.00 0.00 0.00 19.45 17.55 1n43 n ALA 72 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1n43 s LEU 73 N -0.74 0.05 0.09 0.00 0.05 0.53 -1.21 118.68 117.44 1n43 s LEU 73 Ca 0.60 -0.74 -0.25 0.00 0.05 0.00 0.00 54.13 53.80 1n43 s LEU 73 Cb -0.56 2.21 0.07 0.00 -2.05 0.00 0.00 46.19 45.86 1n43 s LEU 73 CO 0.56 -1.21 0.61 -0.83 -0.55 0.00 0.00 176.35 174.93 1n43 s GLY 74 N -2.96 -0.58 0.17 -3.48 0.00 -0.38 -1.28 107.32 98.80 1n43 s GLY 74 Ca 0.16 0.74 -0.19 0.00 0.00 0.00 0.00 44.72 45.43 1n43 s GLY 74 CO 0.07 0.41 0.52 0.66 0.00 0.00 0.00 173.10 174.75 1n43 s TRP 75 N -2.85 -0.28 0.00 1.90 -2.14 -0.17 -1.24 118.94 114.16 1n43 s TRP 75 Ca -0.03 -0.02 0.06 0.00 2.66 0.00 0.00 56.10 58.77 1n43 s TRP 75 Cb -0.01 0.42 -0.02 0.00 -3.10 0.00 0.00 33.47 30.77 1n43 s TRP 75 CO -0.05 -0.85 -0.20 0.99 -2.66 0.00 0.00 176.95 174.19 1n43 s THR 76 N -3.82 1.55 -0.16 0.66 2.01 -0.13 -0.68 115.64 115.08 1n43 s THR 76 Ca 0.05 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.12 1n43 s THR 76 Cb -0.00 -1.30 0.04 0.00 0.01 0.00 0.00 72.50 71.24 1n43 s THR 76 CO -0.08 0.36 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.45 1n43 s VAL 77 N -0.55 1.19 -0.20 3.82 1.01 0.65 -2.80 120.40 123.52 1n43 s VAL 77 Ca 0.07 -0.60 -0.29 0.00 0.00 0.00 0.00 61.98 61.16 1n43 s VAL 77 Cb -0.08 -1.30 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1n43 s VAL 77 CO -0.00 0.21 1.07 0.00 0.00 0.00 0.00 175.10 176.39 1n43 s ALA 78 N 1.61 3.65 0.00 5.51 0.00 -1.26 0.63 121.76 131.90 1n43 s ALA 78 Ca 0.02 0.25 -0.03 0.00 0.00 0.00 0.00 51.96 52.20 1n43 s ALA 78 Cb -0.15 -3.55 -0.15 0.00 0.00 0.00 0.00 23.12 19.28 1n43 s ALA 78 CO -0.08 -1.01 2.85 0.91 0.00 0.00 0.00 175.76 178.42 1n43 n TRP 79 N 6.19 0.00 -5.00 0.00 7.02 0.23 -4.76 117.44 121.12 1n43 n TRP 79 Ca 0.12 -1.25 -0.32 0.00 -1.02 0.00 0.00 57.50 55.03 1n43 n TRP 79 Cb 0.46 -1.10 -0.14 0.00 -2.42 0.00 0.00 31.31 28.11 1n43 n TRP 79 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 1n43 s LYS 80 N 0.60 2.67 0.00 -0.99 2.20 -1.26 -1.90 119.74 121.07 1n43 s LYS 80 Ca 0.37 -0.77 0.00 0.00 -0.36 0.00 0.00 55.97 55.21 1n43 s LYS 80 Cb 0.17 -2.35 0.00 0.00 -1.51 0.00 0.00 37.83 34.15 1n43 s LYS 80 CO 0.00 0.47 0.00 0.27 -0.36 0.00 0.00 175.35 175.73 1n43 n ASN 81 N 2.74 0.00 0.19 1.43 0.23 -0.64 -4.75 115.26 114.46 1n43 n ASN 81 Ca -0.17 0.00 0.14 0.00 -0.53 0.00 0.00 54.58 54.02 1n43 n ASN 81 Cb 0.52 0.00 0.54 0.00 -2.08 0.00 0.00 39.78 38.76 1n43 n ASN 81 CO 0.00 0.00 0.00 0.78 -0.93 0.00 0.00 177.26 177.11 1n43 h ASN 82 N 0.00 0.00 0.00 0.53 2.35 -1.95 -3.32 115.58 113.19 1n43 h ASN 82 Ca 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1n43 h ASN 82 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1n43 h ASN 82 CO 0.00 0.00 -1.53 -1.22 -1.65 0.00 0.00 177.43 173.03 1n43 n TYR 83 N -2.61 0.00 -3.59 1.19 4.01 -1.26 -5.07 117.16 109.84 1n43 n TYR 83 Ca 0.02 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.63 1n43 n TYR 83 Cb 0.29 -0.29 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1n43 n TYR 83 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1n43 s ARG 84 N -2.67 0.74 -0.15 -0.72 3.52 -1.25 -5.09 118.95 113.33 1n43 s ARG 84 Ca -0.04 0.44 -0.03 0.00 -0.13 0.00 0.00 55.73 55.96 1n43 s ARG 84 Cb 0.06 0.35 0.05 0.00 -1.56 0.00 0.00 34.95 33.86 1n43 s ARG 84 CO 0.45 -0.18 0.04 1.21 -0.81 0.00 0.00 175.30 176.01 1n43 s ASN 85 N -0.54 2.39 0.00 -2.12 3.84 -1.26 -1.62 114.94 115.63 1n43 s ASN 85 Ca -0.03 -0.57 0.27 0.00 0.21 0.00 0.00 52.86 52.75 1n43 s ASN 85 Cb -0.02 -0.45 0.98 0.00 -0.55 0.00 0.00 41.25 41.21 1n43 s ASN 85 CO 0.02 -0.29 1.72 0.00 -2.79 0.00 0.00 177.10 175.75 1n43 n ALA 86 N 5.14 2.93 -3.70 1.71 0.00 -0.80 -4.96 120.51 120.84 1n43 n ALA 86 Ca -0.08 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.83 1n43 n ALA 86 Cb 0.48 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 18.69 1n43 n ALA 86 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1n43 n HIS 87 N -1.14 -1.91 -3.77 0.00 -0.00 -1.26 -4.85 115.22 102.29 1n43 n HIS 87 Ca 0.11 0.67 -0.10 0.00 -0.00 0.00 0.00 57.72 58.40 1n43 n HIS 87 Cb 0.31 -3.87 -0.05 0.00 -0.00 0.00 0.00 29.99 26.39 1n43 n HIS 87 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 176.34 174.80 1n43 s SER 88 N -3.92 -0.14 -0.05 0.41 1.04 -1.26 -0.94 113.70 108.85 1n43 s SER 88 Ca 0.24 -0.53 -0.04 0.00 0.48 0.00 0.00 55.95 56.10 1n43 s SER 88 Cb -0.07 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.55 1n43 s SER 88 CO 0.84 -0.92 0.12 0.00 0.98 0.00 0.00 173.24 174.26 1n43 s ALA 89 N -3.87 -0.28 -0.07 5.32 0.00 -0.23 -0.60 121.76 122.03 1n43 s ALA 89 Ca 0.08 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.43 1n43 s ALA 89 Cb 0.02 -0.22 -0.03 0.00 0.00 0.00 0.00 23.12 22.88 1n43 s ALA 89 CO -0.06 -0.07 -0.10 0.99 0.00 0.00 0.00 175.76 176.52 1n43 s THR 90 N 0.22 3.41 -0.11 0.00 2.01 0.21 -1.18 115.64 120.20 1n43 s THR 90 Ca -0.01 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.44 1n43 s THR 90 Cb -0.02 -2.38 -0.00 0.00 0.01 0.00 0.00 72.50 70.10 1n43 s THR 90 CO -0.01 0.58 -0.22 0.42 -0.69 0.00 0.00 174.62 174.70 1n43 s THR 91 N -0.62 2.18 -0.22 -0.82 -4.23 -0.43 -0.25 115.64 111.25 1n43 s THR 91 Ca 0.09 -0.97 -0.08 0.00 -1.18 0.00 0.00 61.69 59.56 1n43 s THR 91 Cb -0.11 -1.85 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 1n43 s THR 91 CO 0.01 0.55 0.08 0.26 -0.54 0.00 0.00 174.62 174.99 1n43 s TRP 92 N 0.40 3.16 -0.12 3.99 0.51 0.15 -1.41 118.94 125.62 1n43 s TRP 92 Ca -0.16 -0.16 -0.00 0.00 -2.12 0.00 0.00 56.10 53.65 1n43 s TRP 92 Cb -0.17 -2.18 -0.02 0.00 -0.81 0.00 0.00 33.47 30.28 1n43 s TRP 92 CO 0.07 -0.13 -0.12 0.45 -0.51 0.00 0.00 176.95 176.72 1n43 s SER 93 N 1.12 4.12 0.00 2.95 0.15 -0.57 -1.00 113.70 120.46 1n43 s SER 93 Ca 0.05 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.41 1n43 s SER 93 Cb -0.14 -1.55 0.00 0.00 -1.71 0.00 0.00 66.02 62.62 1n43 s SER 93 CO 0.03 0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.27 1n43 n GLY 94 N 3.37 0.95 3.01 9.45 0.00 -0.41 -1.29 105.19 120.28 1n43 n GLY 94 Ca -0.18 -0.62 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 1n43 n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1n43 s GLN 95 N 0.83 0.37 0.02 1.61 -2.07 -0.72 -0.35 119.66 119.35 1n43 s GLN 95 Ca 0.00 -0.65 -0.26 0.00 -1.82 0.00 0.00 55.36 52.63 1n43 s GLN 95 Cb 0.00 0.13 -0.05 0.00 -1.09 0.00 0.00 33.01 32.01 1n43 s GLN 95 CO 0.00 -0.07 0.80 -0.47 -1.32 0.00 0.00 175.29 174.23 1n43 s TYR 96 N -1.74 3.69 -0.19 9.60 5.04 -0.29 -1.81 117.35 131.65 1n43 s TYR 96 Ca -0.13 1.48 -0.01 0.00 -2.44 0.00 0.00 57.07 55.97 1n43 s TYR 96 Cb -0.08 -2.88 0.01 0.00 0.35 0.00 0.00 41.96 39.37 1n43 s TYR 96 CO -0.02 0.18 -0.14 0.08 -1.34 0.00 0.00 175.55 174.32 1n43 s VAL 97 N 0.30 2.58 0.86 3.14 1.01 0.87 -1.42 120.40 127.73 1n43 s VAL 97 Ca 0.41 -0.76 -0.13 0.00 0.00 0.00 0.00 61.98 61.50 1n43 s VAL 97 Cb -0.20 -2.13 0.11 0.00 0.00 0.00 0.00 36.38 34.17 1n43 s VAL 97 CO 0.23 0.49 1.21 -0.83 0.00 0.00 0.00 175.10 176.20 1n43 s GLY 98 N 1.34 1.63 0.00 4.51 0.00 -1.26 -1.67 107.32 111.87 1n43 s GLY 98 Ca 0.05 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1n43 s GLY 98 CO -0.09 -0.20 0.00 0.61 0.00 0.00 0.00 173.10 173.42 1n43 n GLY 99 N -3.30 0.87 0.42 0.20 0.00 -1.26 -4.77 105.19 97.35 1n43 n GLY 99 Ca 0.10 -1.77 -0.17 0.00 0.00 0.00 0.00 46.02 44.18 1n43 n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n43 h ALA 100 N 0.00 -1.03 -2.67 4.61 0.00 -2.06 -3.34 119.26 114.76 1n43 h ALA 100 Ca 0.00 -0.23 -0.76 0.00 0.00 0.00 0.00 54.91 53.92 1n43 h ALA 100 Cb 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 17.79 17.88 1n43 h ALA 100 CO 0.00 -0.99 0.22 -1.91 0.00 0.00 0.00 179.25 176.58 1n43 n GLU 101 N -5.47 3.17 -1.75 0.00 2.13 -1.26 -5.07 120.64 112.38 1n43 n GLU 101 Ca -0.13 -4.47 -0.40 0.00 0.66 0.00 0.00 57.16 52.81 1n43 n GLU 101 Cb 0.42 -2.49 0.02 0.00 0.27 0.00 0.00 31.44 29.65 1n43 n GLU 101 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1n43 n ALA 102 N 2.47 1.90 -2.37 4.31 0.00 -1.26 -4.97 120.51 120.60 1n43 n ALA 102 Ca 0.23 0.26 -0.10 0.00 0.00 0.00 0.00 53.44 53.82 1n43 n ALA 102 Cb 0.38 -2.37 -0.10 0.00 0.00 0.00 0.00 19.45 17.36 1n43 n ALA 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1n43 s ARG 103 N -2.37 0.69 -0.27 0.00 0.52 -0.67 -4.53 118.95 112.33 1n43 s ARG 103 Ca 0.61 -1.14 -0.02 0.00 -0.52 0.00 0.00 55.73 54.66 1n43 s ARG 103 Cb -0.46 -0.14 0.03 0.00 0.52 0.00 0.00 34.95 34.90 1n43 s ARG 103 CO 0.58 -0.02 -0.02 0.42 0.02 0.00 0.00 175.30 176.28 1n43 s ILE 104 N -3.00 3.04 -0.23 1.52 1.01 -0.21 -0.09 121.20 123.23 1n43 s ILE 104 Ca 0.04 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.42 1n43 s ILE 104 Cb 0.01 -2.61 -0.03 0.00 0.01 0.00 0.00 42.46 39.84 1n43 s ILE 104 CO -0.04 0.09 0.49 0.20 0.00 0.00 0.00 174.94 175.68 1n43 s ASN 105 N 1.32 6.46 0.17 3.58 0.01 -0.75 -1.78 114.94 123.96 1n43 s ASN 105 Ca -0.01 0.55 0.03 0.00 -0.71 0.00 0.00 52.86 52.72 1n43 s ASN 105 Cb -0.18 -2.27 -0.05 0.00 0.41 0.00 0.00 41.25 39.17 1n43 s ASN 105 CO -0.03 -0.21 -0.05 0.42 -1.51 0.00 0.00 177.10 175.72 1n43 s THR 106 N 1.93 0.97 0.18 1.60 -4.23 -0.55 -1.76 115.64 113.79 1n43 s THR 106 Ca 0.21 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 58.80 1n43 s THR 106 Cb -0.15 -2.02 -0.04 0.00 1.34 0.00 0.00 72.50 71.62 1n43 s THR 106 CO 0.09 -0.59 -0.14 -1.10 -0.54 0.00 0.00 174.62 172.34 1n43 s GLN 107 N -3.82 1.90 0.03 3.99 -1.52 -0.41 -2.73 119.66 117.09 1n43 s GLN 107 Ca 0.21 -1.34 -0.04 0.00 -1.95 0.00 0.00 55.36 52.23 1n43 s GLN 107 Cb 0.04 -2.07 -0.01 0.00 -0.22 0.00 0.00 33.01 30.76 1n43 s GLN 107 CO 0.03 0.43 0.07 1.67 -0.25 0.00 0.00 175.29 177.23 1n43 s TRP 108 N -1.68 0.20 -0.17 0.91 1.48 0.50 -1.52 118.94 118.65 1n43 s TRP 108 Ca 0.23 -0.46 0.01 0.00 -1.06 0.00 0.00 56.10 54.83 1n43 s TRP 108 Cb -0.09 -0.15 0.02 0.00 -1.16 0.00 0.00 33.47 32.10 1n43 s TRP 108 CO 0.13 -0.31 -0.20 -0.51 -4.06 0.00 0.00 176.95 172.00 1n43 s LEU 109 N -1.85 2.10 -0.37 -4.66 1.43 -0.50 -2.24 118.68 112.59 1n43 s LEU 109 Ca -0.09 -0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 52.35 1n43 s LEU 109 Cb -0.04 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.80 1n43 s LEU 109 CO -0.03 0.01 0.13 -0.22 0.23 0.00 0.00 176.35 176.47 1n43 s LEU 110 N 1.21 4.69 -0.25 1.79 2.96 0.61 -1.31 118.68 128.38 1n43 s LEU 110 Ca 0.03 -1.65 -0.14 0.00 -0.22 0.00 0.00 54.13 52.15 1n43 s LEU 110 Cb -0.13 -1.80 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1n43 s LEU 110 CO -0.11 -0.42 0.34 -0.89 -1.32 0.00 0.00 176.35 173.94 1n43 s THR 111 N 1.22 5.22 0.07 3.68 2.01 -0.33 -1.03 115.64 126.48 1n43 s THR 111 Ca 0.02 0.52 -0.10 0.00 0.31 0.00 0.00 61.69 62.45 1n43 s THR 111 Cb -0.21 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.57 1n43 s THR 111 CO -0.02 0.22 0.39 -0.44 -0.69 0.00 0.00 174.62 174.08 1n43 s SER 112 N 1.40 6.63 0.25 3.53 0.01 0.08 -1.07 113.70 124.53 1n43 s SER 112 Ca 0.14 0.77 -0.31 0.00 1.31 0.00 0.00 55.95 57.87 1n43 s SER 112 Cb -0.15 -2.17 -0.11 0.00 0.21 0.00 0.00 66.02 63.80 1n43 s SER 112 CO 0.09 0.18 1.58 -0.83 0.41 0.00 0.00 173.24 174.66 1n43 s GLY 113 N -1.76 1.91 0.26 3.44 0.00 -0.11 -4.79 107.32 106.27 1n43 s GLY 113 Ca 0.33 1.48 0.01 0.00 0.00 0.00 0.00 44.72 46.54 1n43 s GLY 113 CO 0.18 2.56 0.10 -0.51 0.00 0.00 0.00 173.10 175.42 1n43 s THR 114 N 0.40 0.55 0.72 0.90 -4.23 -1.26 -5.00 115.64 107.72 1n43 s THR 114 Ca 0.65 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 59.06 1n43 s THR 114 Cb -0.46 -2.63 0.03 0.00 1.34 0.00 0.00 72.50 70.78 1n43 s THR 114 CO 0.41 -0.01 1.07 0.42 -0.54 0.00 0.00 174.62 175.97 1n43 s THR 115 N -3.76 3.75 0.22 3.99 -4.23 -1.26 -4.86 115.64 109.49 1n43 s THR 115 Ca 0.38 0.58 -0.08 0.00 -1.18 0.00 0.00 61.69 61.38 1n43 s THR 115 Cb 0.08 -3.21 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1n43 s THR 115 CO 0.13 -0.73 1.86 -0.33 -0.54 0.00 0.00 174.62 175.01 1n43 h GLU 116 N -0.84 1.17 -0.66 3.99 4.39 -2.01 0.23 114.58 120.85 1n43 h GLU 116 Ca -0.44 -0.11 0.14 0.00 0.34 0.00 0.00 59.36 59.29 1n43 h GLU 116 Cb 1.22 -0.24 -0.04 0.00 -0.10 0.00 0.00 28.75 29.59 1n43 h GLU 116 CO 0.55 0.83 0.45 0.00 -1.16 0.00 0.00 179.01 179.68 1n43 h ALA 117 N 1.27 2.22 -0.54 3.43 0.00 -2.06 -2.11 119.26 121.48 1n43 h ALA 117 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1n43 h ALA 117 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1n43 h ALA 117 CO -0.06 -0.40 0.00 0.09 0.00 0.00 0.00 179.25 178.89 1n43 n ASN 118 N -4.45 3.70 0.22 0.00 3.02 0.01 -4.47 115.26 113.29 1n43 n ASN 118 Ca 0.12 -2.00 0.11 0.00 -0.03 0.00 0.00 54.58 52.78 1n43 n ASN 118 Cb 0.53 -0.35 0.68 0.00 -0.61 0.00 0.00 39.78 40.03 1n43 n ASN 118 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n43 h ALA 119 N 4.45 2.04 -0.24 5.41 0.00 -0.69 -1.36 119.26 128.87 1n43 h ALA 119 Ca 0.00 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.98 1n43 h ALA 119 Cb 1.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1n43 h ALA 119 CO 0.00 -0.12 0.24 0.11 0.00 0.00 0.00 179.25 179.48 1n43 h TRP 120 N 0.00 0.00 -0.25 0.00 5.08 -1.81 -0.72 115.95 118.24 1n43 h TRP 120 Ca 0.05 0.00 -0.08 0.00 1.08 0.00 0.00 58.89 59.94 1n43 h TRP 120 Cb 0.19 0.00 -0.05 0.00 -3.00 0.00 0.00 29.16 26.30 1n43 h TRP 120 CO 0.00 0.00 -0.05 0.36 -1.28 0.00 0.00 178.44 177.47 1n43 n LYS 121 N -3.91 2.19 0.18 0.12 2.85 -0.51 -4.64 118.16 114.43 1n43 n LYS 121 Ca 0.03 -2.97 0.06 0.00 -1.05 0.00 0.00 58.31 54.37 1n43 n LYS 121 Cb 0.38 -1.78 0.28 0.00 -0.65 0.00 0.00 35.03 33.26 1n43 n LYS 121 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1n43 h SER 122 N 1.19 0.00 -3.18 -5.58 4.64 -1.14 -3.45 113.55 106.02 1n43 h SER 122 Ca 0.09 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.83 1n43 h SER 122 Cb 1.46 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 63.20 1n43 h SER 122 CO 0.26 0.38 -0.83 -0.89 -0.87 0.00 0.00 176.83 174.88 1n43 s THR 123 N -3.46 1.48 0.19 2.95 2.01 -1.26 -0.74 115.64 116.81 1n43 s THR 123 Ca 0.01 -0.59 -0.10 0.00 0.31 0.00 0.00 61.69 61.32 1n43 s THR 123 Cb 0.10 -1.38 -0.07 0.00 0.01 0.00 0.00 72.50 71.16 1n43 s THR 123 CO 0.69 0.44 0.52 -0.76 -0.69 0.00 0.00 174.62 174.82 1n43 s LEU 124 N 1.34 4.22 0.05 4.42 1.43 -0.20 -4.91 118.68 125.03 1n43 s LEU 124 Ca 0.01 0.90 0.05 0.00 -1.03 0.00 0.00 54.13 54.06 1n43 s LEU 124 Cb -0.13 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.55 1n43 s LEU 124 CO -0.07 -0.01 -0.13 0.54 0.23 0.00 0.00 176.35 176.91 1n43 s VAL 125 N -1.70 1.04 0.00 -1.59 0.11 -1.26 -0.29 120.40 116.72 1n43 s VAL 125 Ca 0.44 -1.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.37 1n43 s VAL 125 Cb -0.12 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.75 1n43 s VAL 125 CO 0.21 -0.12 0.03 0.61 -3.33 0.00 0.00 175.10 172.50 1n43 n GLY 126 N 1.63 1.00 2.91 6.54 0.00 -0.95 -4.99 105.19 111.33 1n43 n GLY 126 Ca -0.20 -0.89 -0.14 0.00 0.00 0.00 0.00 46.02 44.80 1n43 n GLY 126 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1n43 s HIS 127 N -4.68 -0.12 -0.09 1.61 -3.43 -1.26 -0.37 115.29 106.94 1n43 s HIS 127 Ca 0.01 0.37 0.02 0.00 -0.80 0.00 0.00 55.06 54.66 1n43 s HIS 127 Cb -0.00 -0.08 -0.02 0.00 -1.43 0.00 0.00 32.58 31.05 1n43 s HIS 127 CO 0.00 -0.13 -0.16 -0.51 -2.00 0.00 0.00 174.74 171.94 1n43 s ASP 128 N 0.91 3.80 -0.13 7.38 1.01 -1.10 -5.00 116.67 123.53 1n43 s ASP 128 Ca -0.07 -0.33 -0.02 0.00 0.71 0.00 0.00 52.55 52.84 1n43 s ASP 128 Cb -0.09 -1.24 -0.03 0.00 1.01 0.00 0.00 42.92 42.57 1n43 s ASP 128 CO -0.04 0.23 -0.06 -0.89 0.21 0.00 0.00 175.17 174.63 1n43 s THR 129 N -0.07 3.74 -0.18 -1.27 2.01 -1.26 -1.48 115.64 117.13 1n43 s THR 129 Ca -0.03 -0.43 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 1n43 s THR 129 Cb -0.14 -2.60 -0.01 0.00 0.01 0.00 0.00 72.50 69.75 1n43 s THR 129 CO 0.04 0.53 -0.07 -0.36 -0.69 0.00 0.00 174.62 174.06 1n43 s PHE 130 N 0.05 2.92 0.39 4.92 0.08 -0.73 -2.22 117.98 123.38 1n43 s PHE 130 Ca -0.01 -0.75 0.07 0.00 0.12 0.00 0.00 56.93 56.36 1n43 s PHE 130 Cb -0.14 -1.99 -0.08 0.00 -0.57 0.00 0.00 43.02 40.25 1n43 s PHE 130 CO 0.03 -0.36 0.01 0.95 -0.10 0.00 0.00 175.22 175.75 1n43 s THR 131 N 0.92 1.87 -1.38 0.64 -4.23 -0.79 -1.04 115.64 111.62 1n43 s THR 131 Ca -0.01 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 58.75 1n43 s THR 131 Cb -0.15 -2.92 0.29 0.00 1.34 0.00 0.00 72.50 71.07 1n43 s THR 131 CO 0.00 -0.02 1.75 0.29 -0.54 0.00 0.00 174.62 176.10 1n43 n LYS 132 N -0.90 0.40 0.00 3.99 5.02 -1.26 0.98 118.16 126.40 1n43 n LYS 132 Ca -0.05 -0.15 0.13 0.00 -2.02 0.00 0.00 58.31 56.22 1n43 n LYS 132 Cb 0.67 -1.50 0.33 0.00 -0.02 0.00 0.00 35.03 34.50 1n43 n LYS 132 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43