#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k45 n LEU 2 N 0.00 0.00 -3.76 -0.89 4.77 -1.26 -5.07 117.00 110.79 1k45 n LEU 2 Ca 0.00 -0.15 0.03 0.00 -0.03 0.00 0.00 56.01 55.86 1k45 n LEU 2 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 1k45 n LEU 2 CO 0.00 -1.33 1.16 0.54 -1.33 0.00 0.00 177.39 176.42 1k45 s VAL 3 N -1.24 0.00 -0.03 4.08 0.11 -1.26 -5.06 120.40 117.00 1k45 s VAL 3 Ca 0.10 -0.09 -0.16 0.00 -2.93 0.00 0.00 61.98 58.90 1k45 s VAL 3 Cb -0.01 -2.39 -0.09 0.00 -1.53 0.00 0.00 36.38 32.36 1k45 s VAL 3 CO 0.08 0.00 0.67 0.00 -3.33 0.00 0.00 175.10 172.52 1k45 h ALA 4 N 2.00 -0.59 -2.52 1.54 0.00 -1.32 -3.43 119.26 114.94 1k45 h ALA 4 Ca -0.28 -0.12 -0.53 0.00 0.00 0.00 0.00 54.91 53.98 1k45 h ALA 4 Cb 1.19 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.19 1k45 h ALA 4 CO 0.30 -0.55 0.50 1.21 0.00 0.00 0.00 179.25 180.70 1k45 s ASN 5 N -4.70 7.19 -0.18 0.00 3.84 -1.21 -1.64 114.94 118.24 1k45 s ASN 5 Ca -0.08 1.96 -0.04 0.00 0.21 0.00 0.00 52.86 54.91 1k45 s ASN 5 Cb 0.01 -2.58 -0.02 0.00 -0.55 0.00 0.00 41.25 38.10 1k45 s ASN 5 CO 0.25 -0.35 -0.04 -0.63 -2.79 0.00 0.00 177.10 173.54 1k45 s ILE 6 N 0.67 3.70 -1.60 -5.21 1.01 -1.21 -4.49 121.20 114.08 1k45 s ILE 6 Ca 0.55 -0.41 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 1k45 s ILE 6 Cb -0.28 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.55 1k45 s ILE 6 CO 0.31 0.46 0.01 -3.20 0.00 0.00 0.00 174.94 172.51 1k45 n ASN 7 N 4.06 -5.41 0.00 3.58 4.05 -1.26 -3.15 115.26 117.13 1k45 n ASN 7 Ca -0.18 0.03 0.05 0.00 0.45 0.00 0.00 54.58 54.94 1k45 n ASN 7 Cb 0.52 -4.52 0.24 0.00 1.23 0.00 0.00 39.78 37.25 1k45 n ASN 7 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k45 n GLY 8 N -0.97 -0.81 0.09 8.20 0.00 -1.25 -1.76 105.19 108.68 1k45 n GLY 8 Ca -0.22 -0.04 0.05 0.00 0.00 0.00 0.00 46.02 45.81 1k45 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k45 n GLY 9 N -0.41 3.44 2.58 -0.02 0.00 -1.26 -3.14 105.19 106.39 1k45 n GLY 9 Ca 0.03 -0.61 -0.13 0.00 0.00 0.00 0.00 46.02 45.31 1k45 n GLY 9 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1k45 n PHE 10 N -0.93 0.00 0.03 1.61 3.72 -0.72 -3.82 117.46 117.35 1k45 n PHE 10 Ca 0.09 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.37 1k45 n PHE 10 Cb 0.52 -2.59 -0.07 0.00 -0.94 0.00 0.00 39.48 36.39 1k45 n PHE 10 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1k45 h GLU 11 N 0.05 0.02 -0.52 -1.08 5.08 -1.80 -1.40 114.58 114.93 1k45 h GLU 11 Ca -0.26 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1k45 h GLU 11 Cb 1.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1k45 h GLU 11 CO 0.38 0.05 0.00 0.43 -1.00 0.00 0.00 179.01 178.86 1k45 n SER 12 N -5.06 1.60 -4.52 1.42 7.64 -1.26 -4.78 113.62 108.65 1k45 n SER 12 Ca -0.07 -2.11 -0.34 0.00 1.01 0.00 0.00 58.87 57.36 1k45 n SER 12 Cb 0.04 -0.33 -0.12 0.00 -1.01 0.00 0.00 64.21 62.80 1k45 n SER 12 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1k45 s THR 13 N -1.61 4.17 0.05 0.44 2.01 -0.53 -5.04 115.64 115.13 1k45 s THR 13 Ca 0.13 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 61.58 1k45 s THR 13 Cb 0.09 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.69 1k45 s THR 13 CO 0.07 0.46 1.09 -2.16 -0.69 0.00 0.00 174.62 173.39 1k45 s PRO 14 N 0.55 4.51 1.03 4.92 0.04 -1.26 -4.91 135.00 139.88 1k45 s PRO 14 Ca -0.01 1.61 -0.25 0.00 0.04 0.00 0.00 61.00 62.39 1k45 s PRO 14 Cb -0.14 -3.39 -0.11 0.00 0.04 0.00 0.00 34.50 30.90 1k45 s PRO 14 CO 0.02 -0.12 -1.07 0.00 0.04 0.00 0.00 177.00 175.87 1k45 n ALA 15 N 3.71 -5.32 0.00 8.56 0.00 -1.26 -4.89 120.51 121.31 1k45 n ALA 15 Ca 0.07 -1.32 0.00 0.00 0.00 0.00 0.00 53.44 52.19 1k45 n ALA 15 Cb 0.48 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.91 1k45 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k45 n GLY 16 N 3.07 4.15 3.70 0.00 0.00 -1.16 -4.92 105.19 110.04 1k45 n GLY 16 Ca -0.01 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1k45 n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k45 n VAL 17 N -0.23 2.53 -3.07 1.61 3.14 -1.26 -2.84 118.33 118.21 1k45 n VAL 17 Ca 0.00 -0.50 -0.35 0.00 -2.96 0.00 0.00 64.34 60.53 1k45 n VAL 17 Cb 0.00 -1.57 -0.06 0.00 -1.06 0.00 0.00 33.84 31.15 1k45 n VAL 17 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1k45 s VAL 18 N -1.19 4.57 -0.06 1.55 1.01 -0.29 -4.88 120.40 121.10 1k45 s VAL 18 Ca 0.61 1.22 0.10 0.00 0.00 0.00 0.00 61.98 63.91 1k45 s VAL 18 Cb -0.51 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 31.97 1k45 s VAL 18 CO 0.58 0.02 0.12 0.35 0.00 0.00 0.00 175.10 176.18 1k45 n THR 19 N 0.22 0.37 -3.47 3.92 -2.24 -1.26 -4.84 114.28 106.98 1k45 n THR 19 Ca 0.01 -0.34 -0.26 0.00 -2.27 0.00 0.00 64.05 61.19 1k45 n THR 19 Cb 0.52 -0.29 -0.12 0.00 -2.10 0.00 0.00 70.33 68.34 1k45 n THR 19 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1k45 s ASP 20 N -3.77 2.80 0.44 3.42 1.01 -1.26 -4.99 116.67 114.31 1k45 s ASP 20 Ca -0.04 -1.61 0.22 0.00 0.71 0.00 0.00 52.55 51.83 1k45 s ASP 20 Cb 0.05 -0.15 1.20 0.00 1.01 0.00 0.00 42.92 45.02 1k45 s ASP 20 CO 0.42 -0.36 1.82 0.17 0.21 0.00 0.00 175.17 177.43 1k45 h LEU 21 N 7.69 0.33 -0.76 1.23 8.10 -1.89 0.93 115.31 130.93 1k45 h LEU 21 Ca -0.06 0.05 -0.06 0.00 0.11 0.00 0.00 57.88 57.91 1k45 h LEU 21 Cb 1.01 -0.01 -0.03 0.00 -0.44 0.00 0.00 40.66 41.19 1k45 h LEU 21 CO 0.33 0.09 0.19 0.00 -4.11 0.00 0.00 178.44 174.94 1k45 h ALA 22 N 1.58 0.99 -0.55 0.17 0.00 -1.93 -2.90 119.26 116.62 1k45 h ALA 22 Ca 0.53 -0.24 -0.40 0.00 0.00 0.00 0.00 54.91 54.80 1k45 h ALA 22 Cb 1.51 -0.28 -0.30 0.00 0.00 0.00 0.00 17.79 18.72 1k45 h ALA 22 CO -0.19 0.66 -0.62 -0.85 0.00 0.00 0.00 179.25 178.25 1k45 n GLU 23 N -4.24 2.97 0.00 0.00 0.28 0.11 -4.83 120.64 114.93 1k45 n GLU 23 Ca 0.06 -3.86 0.00 0.00 -0.16 0.00 0.00 57.16 53.19 1k45 n GLU 23 Cb 0.25 -2.09 0.00 0.00 1.43 0.00 0.00 31.44 31.03 1k45 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k45 n GLY 24 N -0.85 -0.32 3.70 -1.84 0.00 0.28 -4.79 105.19 101.38 1k45 n GLY 24 Ca 0.38 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 46.03 1k45 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k45 s VAL 25 N -0.33 5.26 0.23 1.61 1.01 -1.21 -4.96 120.40 122.01 1k45 s VAL 25 Ca 0.00 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 1k45 s VAL 25 Cb 0.00 -3.68 0.03 0.00 0.00 0.00 0.00 36.38 32.74 1k45 s VAL 25 CO 0.00 0.33 1.64 -0.08 0.00 0.00 0.00 175.10 177.00 1k45 h GLU 26 N 6.97 0.65 0.00 2.72 4.81 -1.90 -2.74 114.58 125.09 1k45 h GLU 26 Ca -0.39 -0.27 0.00 0.00 -0.13 0.00 0.00 59.36 58.57 1k45 h GLU 26 Cb 1.17 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1k45 h GLU 26 CO 0.74 0.85 -0.31 0.41 -0.73 0.00 0.00 179.01 179.97 1k45 n GLY 27 N -0.22 -1.52 2.76 1.92 0.00 -1.19 -4.21 105.19 102.73 1k45 n GLY 27 Ca -0.00 -0.16 -0.18 0.00 0.00 0.00 0.00 46.02 45.68 1k45 n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k45 s TRP 28 N -3.11 0.17 0.04 1.61 0.52 -1.03 -1.72 118.94 115.41 1k45 s TRP 28 Ca 0.09 0.11 0.08 0.00 0.02 0.00 0.00 56.10 56.40 1k45 s TRP 28 Cb 0.14 -0.40 -0.03 0.00 -1.15 0.00 0.00 33.47 32.03 1k45 s TRP 28 CO 0.65 -0.15 -0.24 -0.51 0.02 0.00 0.00 176.95 176.73 1k45 s ASP 29 N 1.44 3.34 0.30 2.95 1.11 0.06 -3.33 116.67 122.54 1k45 s ASP 29 Ca -0.04 -0.53 0.11 0.00 0.18 0.00 0.00 52.55 52.26 1k45 s ASP 29 Cb -0.13 -0.39 -0.05 0.00 1.07 0.00 0.00 42.92 43.42 1k45 s ASP 29 CO -0.03 0.27 -0.12 -0.76 1.18 0.00 0.00 175.17 175.71 1k45 s LEU 30 N -1.23 2.77 -0.22 1.23 1.43 -1.10 -0.47 118.68 121.09 1k45 s LEU 30 Ca 0.12 -1.00 -0.09 0.00 -1.03 0.00 0.00 54.13 52.13 1k45 s LEU 30 Cb -0.10 -1.21 0.09 0.00 0.03 0.00 0.00 46.19 45.00 1k45 s LEU 30 CO 0.03 -0.06 0.49 0.20 0.23 0.00 0.00 176.35 177.24 1k45 s ASN 31 N -3.59 -0.55 -0.09 2.29 -0.87 -0.24 -3.90 114.94 107.98 1k45 s ASN 31 Ca 0.31 1.14 -0.01 0.00 -1.57 0.00 0.00 52.86 52.73 1k45 s ASN 31 Cb -0.03 1.40 -0.03 0.00 -0.02 0.00 0.00 41.25 42.57 1k45 s ASN 31 CO 0.17 -0.22 -0.04 0.68 -2.57 0.00 0.00 177.10 175.12 1k45 s VAL 32 N 2.29 3.97 0.57 1.60 -7.23 -1.26 -2.66 120.40 117.69 1k45 s VAL 32 Ca -0.05 -0.37 0.07 0.00 -1.81 0.00 0.00 61.98 59.83 1k45 s VAL 32 Cb -0.10 -2.67 0.07 0.00 0.56 0.00 0.00 36.38 34.24 1k45 s VAL 32 CO -0.15 0.58 0.59 -0.83 -0.31 0.00 0.00 175.10 174.98 1k45 s GLY 33 N -0.57 2.09 0.33 2.32 0.00 -1.16 -4.95 107.32 105.38 1k45 s GLY 33 Ca 0.09 -1.61 0.21 0.00 0.00 0.00 0.00 44.72 43.40 1k45 s GLY 33 CO 0.02 -1.85 1.62 1.44 0.00 0.00 0.00 173.10 174.33 1k45 n SER 34 N -2.01 0.54 -0.11 1.64 7.64 -1.26 -1.34 113.62 118.71 1k45 n SER 34 Ca 0.06 0.74 -0.02 0.00 1.01 0.00 0.00 58.87 60.66 1k45 n SER 34 Cb 0.63 -0.79 0.21 0.00 -1.01 0.00 0.00 64.21 63.25 1k45 n SER 34 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1k45 h SER 35 N 0.00 0.73 -0.98 6.43 4.64 -1.90 -3.38 113.55 119.10 1k45 h SER 35 Ca 0.00 -0.13 -0.28 0.00 -0.47 0.00 0.00 61.79 60.91 1k45 h SER 35 Cb 0.09 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 1k45 h SER 35 CO 0.00 0.72 0.78 -0.69 -0.87 0.00 0.00 176.83 176.77 1k45 s VAL 36 N -5.18 3.27 0.12 0.95 1.01 -0.45 -3.71 120.40 116.41 1k45 s VAL 36 Ca -0.09 -0.13 0.15 0.00 0.00 0.00 0.00 61.98 61.91 1k45 s VAL 36 Cb 0.16 -3.64 0.04 0.00 0.00 0.00 0.00 36.38 32.94 1k45 s VAL 36 CO 0.79 -0.61 1.59 0.74 0.00 0.00 0.00 175.10 177.62 1k45 h THR 37 N 7.34 1.10 -3.71 3.92 2.02 -1.75 -3.43 112.91 118.40 1k45 h THR 37 Ca -0.03 -2.03 -0.68 0.00 0.77 0.00 0.00 66.41 64.43 1k45 h THR 37 Cb 1.06 2.19 -0.19 0.00 -1.74 0.00 0.00 68.15 69.47 1k45 h THR 37 CO 1.16 0.52 -0.71 0.21 0.37 0.00 0.00 175.52 177.06 1k45 s ASN 38 N -6.56 4.52 -0.39 4.18 3.84 -1.25 -5.07 114.94 114.20 1k45 s ASN 38 Ca 0.01 -0.10 -0.29 0.00 0.21 0.00 0.00 52.86 52.69 1k45 s ASN 38 Cb 0.11 -1.08 0.01 0.00 -0.55 0.00 0.00 41.25 39.74 1k45 s ASN 38 CO 0.73 0.33 1.28 -2.16 -2.79 0.00 0.00 177.10 174.50 1k45 s PRO 39 N -1.00 3.74 0.79 0.43 0.04 -1.26 -4.90 135.00 132.84 1k45 s PRO 39 Ca 0.14 0.93 -0.12 0.00 0.04 0.00 0.00 61.00 61.99 1k45 s PRO 39 Cb -0.11 -3.93 0.06 0.00 0.04 0.00 0.00 34.50 30.56 1k45 s PRO 39 CO 0.03 -1.35 1.13 -1.25 0.04 0.00 0.00 177.00 175.60 1k45 s PRO 40 N 4.51 2.16 -0.21 0.56 0.04 -1.26 -4.90 135.00 135.90 1k45 s PRO 40 Ca 0.55 0.38 -0.05 0.00 0.04 0.00 0.00 61.00 61.93 1k45 s PRO 40 Cb -0.12 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1k45 s PRO 40 CO 0.29 -1.51 -0.01 0.08 0.04 0.00 0.00 177.00 175.89 1k45 s VAL 41 N -3.36 3.77 -0.30 -0.36 1.01 -1.13 -4.91 120.40 115.12 1k45 s VAL 41 Ca 0.61 -0.37 -0.05 0.00 0.00 0.00 0.00 61.98 62.17 1k45 s VAL 41 Cb -0.12 -2.71 0.03 0.00 0.00 0.00 0.00 36.38 33.57 1k45 s VAL 41 CO 0.52 0.42 0.05 -0.36 0.00 0.00 0.00 175.10 175.72 1k45 s PHE 42 N 1.22 3.18 -0.08 5.22 0.08 -1.26 -1.70 117.98 124.64 1k45 s PHE 42 Ca 0.03 -1.35 -0.16 0.00 0.12 0.00 0.00 56.93 55.57 1k45 s PHE 42 Cb -0.15 -2.20 0.04 0.00 -0.57 0.00 0.00 43.02 40.14 1k45 s PHE 42 CO 0.01 -0.68 0.39 -2.00 -0.10 0.00 0.00 175.22 172.84 1k45 s GLU 43 N 1.40 0.63 0.20 0.44 -6.30 -1.05 -1.14 118.70 112.89 1k45 s GLU 43 Ca -0.00 0.18 -0.11 0.00 -2.50 0.00 0.00 54.97 52.54 1k45 s GLU 43 Cb -0.18 0.29 -0.07 0.00 0.00 0.00 0.00 34.13 34.17 1k45 s GLU 43 CO 0.01 -0.15 0.54 0.08 0.02 0.00 0.00 175.26 175.76 1k45 s VAL 44 N -0.66 4.93 0.03 3.70 1.01 -1.13 0.00 120.40 128.27 1k45 s VAL 44 Ca -0.08 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.46 1k45 s VAL 44 Cb -0.04 -3.65 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1k45 s VAL 44 CO 0.03 0.02 -0.06 -0.22 0.00 0.00 0.00 175.10 174.88 1k45 s LEU 45 N -2.57 2.20 -0.30 3.92 0.20 -0.57 -3.01 118.68 118.55 1k45 s LEU 45 Ca 0.44 -0.43 -0.04 0.00 0.69 0.00 0.00 54.13 54.79 1k45 s LEU 45 Cb -0.12 -0.11 0.03 0.00 -0.43 0.00 0.00 46.19 45.56 1k45 s LEU 45 CO 0.21 -0.17 0.03 -1.61 -0.29 0.00 0.00 176.35 174.52 1k45 s GLU 46 N -1.21 2.70 0.02 1.98 2.02 -1.26 -1.70 118.70 121.25 1k45 s GLU 46 Ca -0.09 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 53.82 1k45 s GLU 46 Cb -0.08 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.87 1k45 s GLU 46 CO -0.00 -0.55 -0.07 0.95 0.02 0.00 0.00 175.26 175.60 1k45 s THR 47 N 1.36 0.56 -0.03 3.63 -4.23 -0.94 -4.99 115.64 111.00 1k45 s THR 47 Ca -0.02 -0.65 0.31 0.00 -1.18 0.00 0.00 61.69 60.15 1k45 s THR 47 Cb -0.19 -0.54 0.34 0.00 1.34 0.00 0.00 72.50 73.46 1k45 s THR 47 CO 0.00 -0.09 1.93 0.28 -0.54 0.00 0.00 174.62 176.20 1k45 h SER 48 N 5.29 0.00 0.89 3.99 0.02 -1.92 -1.77 113.55 120.06 1k45 h SER 48 Ca -0.32 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.63 1k45 h SER 48 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1k45 h SER 48 CO 0.46 0.00 0.00 0.47 -1.14 0.00 0.00 176.83 176.62 1k45 n ASP 49 N -2.78 0.12 -4.38 3.07 8.00 -1.26 -4.87 116.55 114.46 1k45 n ASP 49 Ca 0.01 0.52 -0.40 0.00 0.71 0.00 0.00 54.79 55.62 1k45 n ASP 49 Cb 0.24 -0.55 0.01 0.00 -0.02 0.00 0.00 41.12 40.81 1k45 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k45 n ALA 50 N -1.54 -2.12 0.08 2.24 0.00 -0.67 -4.88 120.51 113.62 1k45 n ALA 50 Ca 0.06 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 1k45 n ALA 50 Cb 0.29 -1.63 -0.13 0.00 0.00 0.00 0.00 19.45 17.97 1k45 n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1k45 h PRO 51 N 0.39 0.55 -4.26 0.00 0.13 -1.89 -3.43 132.00 123.49 1k45 h PRO 51 Ca -0.41 -0.77 -0.61 0.00 -0.87 0.00 0.00 66.00 63.35 1k45 h PRO 51 Cb 1.42 0.26 -0.39 0.00 0.13 0.00 0.00 31.00 32.43 1k45 h PRO 51 CO 0.47 1.34 -0.78 -2.00 -0.23 0.00 0.00 178.00 176.81 1k45 s GLU 52 N -2.88 1.47 6.96 0.86 2.56 -1.26 -5.02 118.70 121.39 1k45 s GLU 52 Ca -0.10 -1.04 0.00 0.00 0.00 0.00 0.00 54.97 53.83 1k45 s GLU 52 Cb 0.04 -2.56 0.00 0.00 2.00 0.00 0.00 34.13 33.62 1k45 s GLU 52 CO 0.91 -0.67 0.00 0.41 -0.56 0.00 0.00 175.26 175.35 1k45 n GLY 53 N 4.67 1.83 0.67 -1.50 0.00 -1.26 -4.23 105.19 105.38 1k45 n GLY 53 Ca -0.10 -0.57 -0.02 0.00 0.00 0.00 0.00 46.02 45.33 1k45 n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k45 n ASN 54 N 7.87 -0.30 -3.99 1.61 4.13 -1.26 -4.68 115.26 118.63 1k45 n ASN 54 Ca 0.00 -1.36 -0.18 0.00 1.68 0.00 0.00 54.58 54.72 1k45 n ASN 54 Cb 0.00 0.09 -0.15 0.00 -1.54 0.00 0.00 39.78 38.18 1k45 n ASN 54 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1k45 s LYS 55 N 0.00 0.63 0.29 3.52 1.02 -1.26 -2.20 119.74 121.74 1k45 s LYS 55 Ca 0.00 -0.27 -0.06 0.00 0.02 0.00 0.00 55.97 55.67 1k45 s LYS 55 Cb 0.01 -0.61 -0.01 0.00 -0.52 0.00 0.00 37.83 36.70 1k45 s LYS 55 CO -0.00 0.15 0.43 0.14 -0.92 0.00 0.00 175.35 175.15 1k45 s VAL 56 N -0.13 0.00 -0.51 3.17 -7.23 -0.69 -4.18 120.40 110.83 1k45 s VAL 56 Ca 0.02 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.49 1k45 s VAL 56 Cb -0.03 -2.48 0.13 0.00 0.56 0.00 0.00 36.38 34.55 1k45 s VAL 56 CO -0.00 0.00 0.41 -0.22 -0.31 0.00 0.00 175.10 174.98 1k45 s LEU 57 N -3.15 5.87 -0.38 1.32 2.96 -0.65 -1.51 118.68 123.15 1k45 s LEU 57 Ca 0.29 -1.95 -0.28 0.00 -0.22 0.00 0.00 54.13 51.98 1k45 s LEU 57 Cb 0.01 -2.07 0.02 0.00 0.50 0.00 0.00 46.19 44.64 1k45 s LEU 57 CO 0.15 -0.73 1.03 0.00 -1.32 0.00 0.00 176.35 175.49 1k45 s ALA 58 N 1.32 3.38 0.01 5.97 0.00 0.10 -2.25 121.76 130.30 1k45 s ALA 58 Ca 0.06 -0.32 0.03 0.00 0.00 0.00 0.00 51.96 51.74 1k45 s ALA 58 Cb -0.26 -3.67 -0.03 0.00 0.00 0.00 0.00 23.12 19.15 1k45 s ALA 58 CO -0.00 -1.71 -0.06 0.08 0.00 0.00 0.00 175.76 174.07 1k45 s VAL 59 N 3.76 3.71 -0.73 0.00 1.01 -0.26 -2.54 120.40 125.36 1k45 s VAL 59 Ca 0.43 -0.80 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1k45 s VAL 59 Cb -0.11 -2.63 0.19 0.00 0.00 0.00 0.00 36.38 33.83 1k45 s VAL 59 CO 0.20 0.36 0.59 -0.89 0.00 0.00 0.00 175.10 175.36 1k45 s THR 60 N -1.04 4.43 -0.05 3.92 2.01 -0.69 0.18 115.64 124.41 1k45 s THR 60 Ca 0.18 -2.91 -0.27 0.00 0.31 0.00 0.00 61.69 59.01 1k45 s THR 60 Cb -0.11 -3.81 -0.03 0.00 0.01 0.00 0.00 72.50 68.56 1k45 s THR 60 CO 0.09 -0.95 0.84 -0.69 -0.69 0.00 0.00 174.62 173.21 1k45 s VAL 61 N -0.15 4.95 -0.46 3.82 1.01 -1.06 -2.85 120.40 125.66 1k45 s VAL 61 Ca 0.19 1.74 0.06 0.00 0.00 0.00 0.00 61.98 63.96 1k45 s VAL 61 Cb -0.16 -4.17 0.31 0.00 0.00 0.00 0.00 36.38 32.36 1k45 s VAL 61 CO -0.06 0.19 1.09 -0.46 0.00 0.00 0.00 175.10 175.85 1k45 n ASN 62 N 3.97 -2.43 0.00 3.32 0.23 -1.26 -2.30 115.26 116.79 1k45 n ASN 62 Ca 0.03 -3.64 0.00 0.00 -0.53 0.00 0.00 54.58 50.44 1k45 n ASN 62 Cb 0.51 1.92 0.00 0.00 -2.08 0.00 0.00 39.78 40.13 1k45 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k45 n GLY 63 N 0.56 0.68 0.50 4.83 0.00 -1.26 -4.85 105.19 105.65 1k45 n GLY 63 Ca 0.06 0.29 -0.04 0.00 0.00 0.00 0.00 46.02 46.33 1k45 n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k45 n VAL 64 N 0.00 0.00 -3.30 1.61 0.24 -1.26 -3.92 118.33 111.70 1k45 n VAL 64 Ca 0.00 -0.13 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 1k45 n VAL 64 Cb 0.00 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 30.44 1k45 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k45 n GLY 65 N 3.86 5.55 0.29 7.63 0.00 -1.24 -4.14 105.19 117.13 1k45 n GLY 65 Ca 0.02 -1.71 0.10 0.00 0.00 0.00 0.00 46.02 44.43 1k45 n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k45 n ASN 66 N -0.67 0.88 -4.22 1.61 4.13 -1.26 -4.82 115.26 110.91 1k45 n ASN 66 Ca 0.00 -1.56 -0.21 0.00 1.68 0.00 0.00 54.58 54.48 1k45 n ASN 66 Cb 0.00 -0.05 -0.12 0.00 -1.54 0.00 0.00 39.78 38.06 1k45 n ASN 66 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1k45 s ASN 67 N -1.59 2.08 0.00 6.41 0.01 -1.26 -5.01 114.94 115.58 1k45 s ASN 67 Ca 0.31 -0.63 0.00 0.00 -0.71 0.00 0.00 52.86 51.83 1k45 s ASN 67 Cb 0.15 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.71 1k45 s ASN 67 CO 0.24 0.00 0.77 -0.81 -1.51 0.00 0.00 177.10 175.80 1k45 n PRO 68 N 1.28 0.93 -2.97 -0.60 -0.04 -1.26 -3.90 135.00 128.44 1k45 n PRO 68 Ca -0.20 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 1k45 n PRO 68 Cb 0.54 -1.16 -0.02 0.00 -0.04 0.00 0.00 33.50 32.83 1k45 n PRO 68 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1k45 n TRP 69 N -0.32 1.27 -0.01 0.54 2.14 -1.26 -4.76 117.44 115.04 1k45 n TRP 69 Ca 0.00 -3.56 -0.00 0.00 2.07 0.00 0.00 57.50 56.01 1k45 n TRP 69 Cb 0.08 -0.40 -0.00 0.00 -0.81 0.00 0.00 31.31 30.18 1k45 n TRP 69 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1k45 h ASP 70 N 2.97 -0.01 -3.35 -0.67 3.32 -1.66 -3.42 116.42 113.59 1k45 h ASP 70 Ca 0.07 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.52 1k45 h ASP 70 Cb 0.94 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.37 1k45 h ASP 70 CO 0.58 0.11 -0.43 -0.63 -1.72 0.00 0.00 179.24 177.15 1k45 s ILE 71 N -1.23 5.36 -0.07 0.35 1.09 0.73 -2.98 121.20 124.45 1k45 s ILE 71 Ca -0.00 0.33 -0.01 0.00 -1.10 0.00 0.00 60.65 59.87 1k45 s ILE 71 Cb 0.00 -3.54 0.03 0.00 -1.06 0.00 0.00 42.46 37.89 1k45 s ILE 71 CO 0.01 0.39 -0.02 -0.70 -0.10 0.00 0.00 174.94 174.52 1k45 s GLU 72 N 0.60 0.78 -0.32 2.79 2.12 -1.09 0.19 118.70 123.77 1k45 s GLU 72 Ca 0.11 0.01 -0.02 0.00 0.36 0.00 0.00 54.97 55.44 1k45 s GLU 72 Cb -0.12 -1.03 0.06 0.00 0.26 0.00 0.00 34.13 33.30 1k45 s GLU 72 CO 0.02 -0.25 0.03 0.00 -0.54 0.00 0.00 175.26 174.51 1k45 s ALA 73 N 1.71 2.86 0.33 6.30 0.00 0.95 -1.08 121.76 132.84 1k45 s ALA 73 Ca 0.02 -1.89 0.04 0.00 0.00 0.00 0.00 51.96 50.13 1k45 s ALA 73 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.98 1k45 s ALA 73 CO -0.05 -1.35 0.49 0.99 0.00 0.00 0.00 175.76 175.84 1k45 s THR 74 N 1.23 4.49 -0.03 0.00 2.01 0.38 -0.76 115.64 122.95 1k45 s THR 74 Ca -0.03 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.21 1k45 s THR 74 Cb -0.20 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 68.69 1k45 s THR 74 CO -0.02 -0.29 -0.23 0.00 -0.69 0.00 0.00 174.62 173.40 1k45 s ALA 75 N -2.22 2.30 0.00 7.40 0.00 -0.19 -0.76 121.76 128.29 1k45 s ALA 75 Ca 0.42 -1.08 0.00 0.00 0.00 0.00 0.00 51.96 51.31 1k45 s ALA 75 Cb -0.09 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1k45 s ALA 75 CO 0.33 0.53 0.00 1.97 0.00 0.00 0.00 175.76 178.58 1k45 n PHE 76 N 2.44 0.00 -1.93 0.00 1.16 -0.70 -2.35 117.46 116.09 1k45 n PHE 76 Ca -0.16 0.00 -0.30 0.00 -1.87 0.00 0.00 57.45 55.12 1k45 n PHE 76 Cb 0.51 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.43 1k45 n PHE 76 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1k45 s PRO 77 N -2.00 2.78 0.18 3.97 0.04 -1.26 -3.93 135.00 134.77 1k45 s PRO 77 Ca 0.00 0.39 0.09 0.00 0.04 0.00 0.00 61.00 61.52 1k45 s PRO 77 Cb 0.00 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1k45 s PRO 77 CO 0.00 -1.06 -0.18 0.08 0.04 0.00 0.00 177.00 175.88 1k45 s VAL 78 N -3.35 1.88 -0.14 -0.36 1.01 -0.61 -3.30 120.40 115.53 1k45 s VAL 78 Ca 0.58 -2.00 0.01 0.00 0.00 0.00 0.00 61.98 60.57 1k45 s VAL 78 Cb -0.11 -1.92 0.02 0.00 0.00 0.00 0.00 36.38 34.37 1k45 s VAL 78 CO 0.51 -0.35 -0.17 0.20 0.00 0.00 0.00 175.10 175.29 1k45 s ASN 79 N -2.82 2.74 0.18 3.32 0.01 -0.65 -2.73 114.94 114.99 1k45 s ASN 79 Ca 0.18 -0.51 0.01 0.00 -0.71 0.00 0.00 52.86 51.83 1k45 s ASN 79 Cb -0.05 -1.24 -0.00 0.00 0.41 0.00 0.00 41.25 40.37 1k45 s ASN 79 CO 0.07 -0.00 0.04 1.33 -1.51 0.00 0.00 177.10 177.03 1k45 n VAL 80 N 4.46 0.00 -4.09 1.60 0.24 -0.66 -4.13 118.33 115.74 1k45 n VAL 80 Ca -0.19 -0.99 -0.14 0.00 -2.04 0.00 0.00 64.34 60.99 1k45 n VAL 80 Cb 0.51 0.30 -0.12 0.00 -1.47 0.00 0.00 33.84 33.05 1k45 n VAL 80 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1k45 s ARG 81 N -2.68 0.49 -0.60 7.34 0.52 -1.26 -4.71 118.95 118.03 1k45 s ARG 81 Ca 0.06 -0.56 -0.28 0.00 -0.52 0.00 0.00 55.73 54.43 1k45 s ARG 81 Cb 0.00 -0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.17 1k45 s ARG 81 CO 0.04 0.07 1.41 -1.25 0.02 0.00 0.00 175.30 175.59 1k45 s PRO 82 N -1.08 3.24 0.00 3.54 0.04 -1.26 -3.23 135.00 136.24 1k45 s PRO 82 Ca -0.06 0.31 0.00 0.00 0.04 0.00 0.00 61.00 61.29 1k45 s PRO 82 Cb -0.07 -4.15 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1k45 s PRO 82 CO 0.00 -2.03 0.00 0.41 0.04 0.00 0.00 177.00 175.42 1k45 n GLY 83 N 5.30 2.17 3.83 0.56 0.00 -1.26 -5.07 105.19 110.72 1k45 n GLY 83 Ca 0.11 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.16 1k45 n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k45 s VAL 84 N -0.71 4.49 -0.12 1.61 1.01 -1.20 -4.97 120.40 120.51 1k45 s VAL 84 Ca 0.00 1.30 -0.12 0.00 0.00 0.00 0.00 61.98 63.17 1k45 s VAL 84 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1k45 s VAL 84 CO 0.00 -0.23 0.25 -0.89 0.00 0.00 0.00 175.10 174.23 1k45 s THR 85 N -2.06 5.32 0.44 3.92 2.01 -1.26 -4.10 115.64 119.91 1k45 s THR 85 Ca 0.58 0.46 0.07 0.00 0.31 0.00 0.00 61.69 63.11 1k45 s THR 85 Cb -0.10 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 68.83 1k45 s THR 85 CO 0.15 0.50 0.34 -0.31 -0.69 0.00 0.00 174.62 174.62 1k45 s TYR 86 N -0.29 2.48 0.19 4.92 1.51 -0.32 -4.44 117.35 121.40 1k45 s TYR 86 Ca 0.16 -0.58 0.11 0.00 -1.01 0.00 0.00 57.07 55.75 1k45 s TYR 86 Cb -0.13 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 1k45 s TYR 86 CO 0.05 -0.13 -0.19 0.99 -1.11 0.00 0.00 175.55 175.16 1k45 s THR 87 N -2.56 2.62 -0.13 -0.71 2.01 0.12 -2.79 115.64 114.21 1k45 s THR 87 Ca 0.44 -1.91 -0.01 0.00 0.31 0.00 0.00 61.69 60.53 1k45 s THR 87 Cb -0.01 -2.27 0.03 0.00 0.01 0.00 0.00 72.50 70.26 1k45 s THR 87 CO 0.26 -0.11 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.56 1k45 s TYR 88 N -1.68 1.37 0.01 4.92 6.14 -0.96 -1.56 117.35 125.60 1k45 s TYR 88 Ca 0.22 -0.76 0.02 0.00 0.64 0.00 0.00 57.07 57.19 1k45 s TYR 88 Cb -0.08 -1.16 -0.01 0.00 0.42 0.00 0.00 41.96 41.12 1k45 s TYR 88 CO 0.11 -0.52 -0.07 0.99 0.64 0.00 0.00 175.55 176.70 1k45 s THR 89 N 1.75 0.54 0.15 4.34 2.01 -0.97 -1.13 115.64 122.32 1k45 s THR 89 Ca 0.03 -0.57 -0.12 0.00 0.31 0.00 0.00 61.69 61.34 1k45 s THR 89 Cb -0.14 -0.51 0.01 0.00 0.01 0.00 0.00 72.50 71.87 1k45 s THR 89 CO -0.07 -0.04 0.33 -0.51 -0.69 0.00 0.00 174.62 173.64 1k45 s ILE 90 N -0.58 0.07 -0.07 1.82 2.07 0.08 -1.17 121.20 123.42 1k45 s ILE 90 Ca -0.02 -1.07 0.01 0.00 -1.41 0.00 0.00 60.65 58.16 1k45 s ILE 90 Cb -0.05 -1.56 0.02 0.00 0.13 0.00 0.00 42.46 41.00 1k45 s ILE 90 CO 0.00 -0.34 -0.07 0.26 -1.91 0.00 0.00 174.94 172.88 1k45 s TRP 91 N -3.90 1.12 0.08 3.50 0.52 -0.18 -1.40 118.94 118.69 1k45 s TRP 91 Ca 0.10 -0.42 0.07 0.00 0.02 0.00 0.00 56.10 55.88 1k45 s TRP 91 Cb 0.02 -0.93 -0.04 0.00 -1.15 0.00 0.00 33.47 31.38 1k45 s TRP 91 CO -0.05 -0.30 -0.15 0.00 0.02 0.00 0.00 176.95 176.47 1k45 s ALA 92 N 1.13 2.77 -0.30 0.98 0.00 -1.13 -1.56 121.76 123.65 1k45 s ALA 92 Ca -0.07 -1.25 -0.12 0.00 0.00 0.00 0.00 51.96 50.52 1k45 s ALA 92 Cb -0.14 -0.79 0.13 0.00 0.00 0.00 0.00 23.12 22.33 1k45 s ALA 92 CO -0.01 0.60 0.74 0.50 0.00 0.00 0.00 175.76 177.60 1k45 s ARG 93 N -1.92 0.52 0.13 0.00 3.52 -0.35 -0.97 118.95 119.88 1k45 s ARG 93 Ca 0.18 1.24 0.06 0.00 -0.13 0.00 0.00 55.73 57.08 1k45 s ARG 93 Cb -0.11 0.67 -0.04 0.00 -1.56 0.00 0.00 34.95 33.91 1k45 s ARG 93 CO 0.10 -0.17 0.02 0.00 -0.81 0.00 0.00 175.30 174.44 1k45 s ALA 94 N 2.60 3.30 0.37 6.12 0.00 -1.14 -0.04 121.76 132.97 1k45 s ALA 94 Ca -0.06 -1.22 0.12 0.00 0.00 0.00 0.00 51.96 50.80 1k45 s ALA 94 Cb -0.10 -1.14 0.92 0.00 0.00 0.00 0.00 23.12 22.81 1k45 s ALA 94 CO -0.19 0.59 1.83 0.93 0.00 0.00 0.00 175.76 178.93 1k45 h GLU 95 N 3.01 0.56 -6.55 0.00 5.08 -1.36 -3.37 114.58 111.96 1k45 h GLU 95 Ca -0.47 -0.03 -0.67 0.00 -1.00 0.00 0.00 59.36 57.18 1k45 h GLU 95 Cb 1.18 -0.13 -0.28 0.00 0.50 0.00 0.00 28.75 30.03 1k45 h GLU 95 CO 0.59 0.37 -0.88 -0.65 -1.00 0.00 0.00 179.01 177.45 1k45 s GLN 96 N -5.61 1.80 0.89 2.33 -0.21 -1.26 -4.85 119.66 112.75 1k45 s GLN 96 Ca -0.09 -1.01 -0.11 0.00 0.02 0.00 0.00 55.36 54.16 1k45 s GLN 96 Cb 0.23 -1.89 0.13 0.00 1.00 0.00 0.00 33.01 32.48 1k45 s GLN 96 CO 0.79 0.50 1.09 0.16 -2.12 0.00 0.00 175.29 175.71 1k45 s ASP 97 N -1.01 3.48 0.00 5.90 1.47 -1.26 -4.38 116.67 120.87 1k45 s ASP 97 Ca 0.10 1.57 0.00 0.00 1.18 0.00 0.00 52.55 55.41 1k45 s ASP 97 Cb -0.10 -2.24 0.00 0.00 -0.34 0.00 0.00 42.92 40.24 1k45 s ASP 97 CO 0.01 -2.64 0.00 0.61 0.68 0.00 0.00 175.17 173.83 1k45 n GLY 98 N -0.99 0.78 3.27 2.12 0.00 -0.95 -4.94 105.19 104.47 1k45 n GLY 98 Ca 0.07 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 1k45 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k45 s ALA 99 N -2.41 1.89 0.04 4.61 0.00 -1.17 -4.55 121.76 120.17 1k45 s ALA 99 Ca 0.00 -1.05 0.06 0.00 0.00 0.00 0.00 51.96 50.97 1k45 s ALA 99 Cb 0.00 -0.43 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 1k45 s ALA 99 CO 0.00 0.45 -0.14 0.08 0.00 0.00 0.00 175.76 176.14 1k45 s VAL 100 N -0.67 3.07 0.14 0.00 1.01 -1.03 0.12 120.40 123.04 1k45 s VAL 100 Ca 0.09 -1.12 -0.08 0.00 0.00 0.00 0.00 61.98 60.87 1k45 s VAL 100 Cb -0.09 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.95 1k45 s VAL 100 CO 0.01 0.31 0.24 -0.69 0.00 0.00 0.00 175.10 174.96 1k45 s VAL 101 N -0.99 0.09 -0.06 2.92 1.01 -1.16 -4.53 120.40 117.68 1k45 s VAL 101 Ca 0.16 -1.35 0.03 0.00 0.00 0.00 0.00 61.98 60.82 1k45 s VAL 101 Cb -0.11 -1.69 0.01 0.00 0.00 0.00 0.00 36.38 34.58 1k45 s VAL 101 CO 0.07 -0.42 -0.15 -0.44 0.00 0.00 0.00 175.10 174.17 1k45 s SER 102 N -2.94 1.98 -0.28 3.32 0.01 -1.17 -2.70 113.70 111.91 1k45 s SER 102 Ca 0.14 -0.33 0.00 0.00 1.31 0.00 0.00 55.95 57.07 1k45 s SER 102 Cb 0.04 -0.75 0.08 0.00 0.21 0.00 0.00 66.02 65.60 1k45 s SER 102 CO -0.03 0.09 0.04 -0.36 0.41 0.00 0.00 173.24 173.38 1k45 s PHE 103 N 0.36 2.19 0.37 2.43 0.40 -0.91 -0.69 117.98 122.14 1k45 s PHE 103 Ca -0.10 -1.86 0.06 0.00 -0.60 0.00 0.00 56.93 54.44 1k45 s PHE 103 Cb -0.14 -1.80 -0.07 0.00 0.51 0.00 0.00 43.02 41.52 1k45 s PHE 103 CO 0.03 -0.83 0.00 0.95 0.70 0.00 0.00 175.22 176.08 1k45 s THR 104 N 1.45 1.78 0.13 0.64 -4.23 -1.13 -2.40 115.64 111.88 1k45 s THR 104 Ca 0.04 -2.04 0.08 0.00 -1.18 0.00 0.00 61.69 58.59 1k45 s THR 104 Cb -0.18 -2.85 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1k45 s THR 104 CO -0.14 -0.05 -0.19 0.68 -0.54 0.00 0.00 174.62 174.38 1k45 s VAL 105 N -2.88 1.72 0.00 2.29 -7.23 -1.15 -1.46 120.40 111.67 1k45 s VAL 105 Ca 0.35 -1.73 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 1k45 s VAL 105 Cb 0.08 -1.68 0.00 0.00 0.56 0.00 0.00 36.38 35.34 1k45 s VAL 105 CO 0.17 -0.22 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 1k45 n GLY 106 N 0.66 1.11 0.26 2.32 0.00 -0.72 -2.50 105.19 106.33 1k45 n GLY 106 Ca -0.16 -0.23 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1k45 n GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k45 n ASN 107 N 0.00 0.09 0.28 1.61 2.04 -0.84 -1.61 115.26 116.82 1k45 n ASN 107 Ca 0.00 -1.08 0.12 0.00 -0.44 0.00 0.00 54.58 53.19 1k45 n ASN 107 Cb 0.00 -0.04 0.78 0.00 -2.53 0.00 0.00 39.78 37.99 1k45 n ASN 107 CO 0.00 0.00 0.00 1.56 -0.44 0.00 0.00 177.26 178.38 1k45 h GLN 108 N 0.00 0.00 0.00 -3.83 7.50 -1.92 -0.72 115.11 116.13 1k45 h GLN 108 Ca -0.02 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.13 1k45 h GLN 108 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.61 1k45 h GLN 108 CO 0.02 0.05 0.00 0.43 -1.50 0.00 0.00 178.83 177.83 1k45 n SER 109 N -3.97 0.00 0.00 1.46 7.64 -1.26 -4.81 113.62 112.67 1k45 n SER 109 Ca -0.03 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 57.98 1k45 n SER 109 Cb 0.13 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1k45 n SER 109 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k45 n PHE 110 N -0.53 0.00 -2.07 1.43 3.72 -0.28 -4.92 117.46 114.81 1k45 n PHE 110 Ca 0.02 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.01 1k45 n PHE 110 Cb 0.01 -0.66 -0.03 0.00 -0.94 0.00 0.00 39.48 37.86 1k45 n PHE 110 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1k45 s GLN 111 N -0.49 2.98 0.16 -1.08 -1.52 -1.26 -4.74 119.66 113.71 1k45 s GLN 111 Ca 0.00 0.92 -0.16 0.00 -1.95 0.00 0.00 55.36 54.17 1k45 s GLN 111 Cb 0.00 -4.28 -0.07 0.00 -0.22 0.00 0.00 33.01 28.44 1k45 s GLN 111 CO 0.00 -2.30 0.59 -2.00 -0.25 0.00 0.00 175.29 171.33 1k45 s GLU 112 N 6.32 4.05 -0.00 2.91 2.12 -1.26 -1.99 118.70 130.85 1k45 s GLU 112 Ca 0.70 0.58 -0.00 0.00 0.36 0.00 0.00 54.97 56.62 1k45 s GLU 112 Cb -0.16 -2.94 -0.00 0.00 0.26 0.00 0.00 34.13 31.29 1k45 s GLU 112 CO 0.26 0.47 -0.00 0.66 -0.54 0.00 0.00 175.26 176.11 1k45 n TYR 113 N 0.85 0.00 -2.46 5.30 4.01 -1.04 -4.92 117.16 118.89 1k45 n TYR 113 Ca -0.05 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.42 1k45 n TYR 113 Cb 0.52 -0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.56 1k45 n TYR 113 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1k45 s GLY 114 N -3.02 1.57 -0.27 2.72 0.00 -1.26 -4.97 107.32 102.08 1k45 s GLY 114 Ca -0.00 -0.60 -0.06 0.00 0.00 0.00 0.00 44.72 44.05 1k45 s GLY 114 CO 0.00 -0.37 0.56 1.09 0.00 0.00 0.00 173.10 174.39 1k45 s ARG 115 N -4.90 0.50 -0.44 2.90 1.70 -1.26 -2.95 118.95 114.50 1k45 s ARG 115 Ca 0.51 1.16 0.05 0.00 -0.47 0.00 0.00 55.73 56.98 1k45 s ARG 115 Cb -0.10 0.54 0.17 0.00 -0.57 0.00 0.00 34.95 34.99 1k45 s ARG 115 CO 0.45 -0.37 0.47 -0.48 -1.08 0.00 0.00 175.30 174.29 1k45 s LEU 116 N 2.80 0.29 0.29 -1.89 2.34 -1.01 -5.03 118.68 116.46 1k45 s LEU 116 Ca 0.04 -2.45 0.06 0.00 0.06 0.00 0.00 54.13 51.84 1k45 s LEU 116 Cb -0.13 0.45 -0.06 0.00 -0.56 0.00 0.00 46.19 45.89 1k45 s LEU 116 CO -0.18 -0.14 -0.03 -1.38 -1.06 0.00 0.00 176.35 173.56 1k45 s HIS 117 N 0.50 1.94 -0.14 3.48 -3.43 -1.26 -2.15 115.29 114.23 1k45 s HIS 117 Ca 0.30 -0.77 -0.01 0.00 -0.80 0.00 0.00 55.06 53.79 1k45 s HIS 117 Cb -0.00 -1.16 -0.01 0.00 -1.43 0.00 0.00 32.58 29.98 1k45 s HIS 117 CO -0.13 0.21 0.12 -1.91 -2.00 0.00 0.00 174.74 171.03 1k45 n GLU 118 N -0.61 -0.46 -4.03 -0.38 2.13 -1.10 -4.96 120.64 111.23 1k45 n GLU 118 Ca -0.05 0.11 -0.13 0.00 0.66 0.00 0.00 57.16 57.76 1k45 n GLU 118 Cb 0.64 -2.32 -0.13 0.00 0.27 0.00 0.00 31.44 29.90 1k45 n GLU 118 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1k45 s GLN 119 N -3.47 0.31 0.62 5.31 -0.21 -1.24 -5.00 119.66 115.98 1k45 s GLN 119 Ca 0.04 -0.34 -0.14 0.00 0.02 0.00 0.00 55.36 54.94 1k45 s GLN 119 Cb -0.01 -0.18 -0.03 0.00 1.00 0.00 0.00 33.01 33.80 1k45 s GLN 119 CO 0.10 0.04 1.05 -0.65 -2.12 0.00 0.00 175.29 173.70 1k45 s GLN 120 N -0.66 3.29 -0.01 2.91 -0.21 -1.26 -3.00 119.66 120.72 1k45 s GLN 120 Ca -0.05 1.06 0.03 0.00 0.02 0.00 0.00 55.36 56.42 1k45 s GLN 120 Cb -0.05 -2.03 -0.00 0.00 1.00 0.00 0.00 33.01 31.93 1k45 s GLN 120 CO -0.00 -0.82 -0.09 0.42 -2.12 0.00 0.00 175.29 172.68 1k45 s ILE 121 N -2.72 0.72 0.91 1.08 -1.09 0.33 -4.91 121.20 115.52 1k45 s ILE 121 Ca 0.61 -0.37 -0.14 0.00 -2.23 0.00 0.00 60.65 58.52 1k45 s ILE 121 Cb -0.14 -0.62 0.21 0.00 -1.58 0.00 0.00 42.46 40.32 1k45 s ILE 121 CO 0.43 0.21 1.24 0.35 -1.23 0.00 0.00 174.94 175.95 1k45 n THR 122 N 3.02 0.00 1.86 2.92 -2.24 -1.26 -2.24 114.28 116.35 1k45 n THR 122 Ca -0.15 -0.99 0.11 0.00 -2.27 0.00 0.00 64.05 60.75 1k45 n THR 122 Cb 0.56 -1.47 0.65 0.00 -2.10 0.00 0.00 70.33 67.97 1k45 n THR 122 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k45 n THR 123 N -3.66 0.00 -3.54 4.28 -2.24 -1.26 -2.88 114.28 104.98 1k45 n THR 123 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1k45 n THR 123 Cb 0.55 -0.40 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1k45 n THR 123 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k45 n GLU 124 N -0.87 1.82 -3.37 -0.78 1.02 -1.26 -4.37 120.64 112.83 1k45 n GLU 124 Ca 0.16 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.93 1k45 n GLU 124 Cb 0.08 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.43 1k45 n GLU 124 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1k45 s TRP 125 N -0.11 3.42 -0.24 -0.32 0.52 -1.24 -3.49 118.94 117.49 1k45 s TRP 125 Ca 0.00 0.70 -0.07 0.00 0.02 0.00 0.00 56.10 56.76 1k45 s TRP 125 Cb 0.00 -2.53 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1k45 s TRP 125 CO 0.00 0.06 0.05 -0.65 0.02 0.00 0.00 176.95 176.42 1k45 s GLN 126 N 1.07 3.64 -0.63 4.98 -0.21 -0.14 -4.82 119.66 123.53 1k45 s GLN 126 Ca 0.21 -0.49 -0.28 0.00 0.02 0.00 0.00 55.36 54.82 1k45 s GLN 126 Cb -0.15 -3.25 0.03 0.00 1.00 0.00 0.00 33.01 30.64 1k45 s GLN 126 CO 0.08 -0.14 1.27 -1.25 -2.12 0.00 0.00 175.29 173.13 1k45 s PRO 127 N 1.45 3.36 -0.09 2.91 0.04 -1.26 -2.85 135.00 138.55 1k45 s PRO 127 Ca 0.05 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.22 1k45 s PRO 127 Cb -0.15 -4.09 -0.02 0.00 0.04 0.00 0.00 34.50 30.28 1k45 s PRO 127 CO 0.03 -1.90 -0.14 -0.06 0.04 0.00 0.00 177.00 174.96 1k45 s PHE 128 N 5.45 2.74 0.34 0.56 0.08 -0.49 -4.95 117.98 121.71 1k45 s PHE 128 Ca 0.42 -0.44 -0.08 0.00 0.12 0.00 0.00 56.93 56.96 1k45 s PHE 128 Cb -0.08 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1k45 s PHE 128 CO 0.22 -0.04 0.55 -0.08 -0.10 0.00 0.00 175.22 175.77 1k45 s THR 129 N -0.16 0.00 0.07 0.64 -1.32 -1.26 -0.74 115.64 112.88 1k45 s THR 129 Ca -0.01 -1.42 -0.11 0.00 -1.21 0.00 0.00 61.69 58.94 1k45 s THR 129 Cb -0.13 -2.61 0.04 0.00 -1.51 0.00 0.00 72.50 68.28 1k45 s THR 129 CO 0.03 0.00 0.52 2.22 -2.21 0.00 0.00 174.62 175.18 1k45 n PHE 130 N -0.52 -0.79 -4.19 9.09 1.16 -0.29 -4.98 117.46 116.94 1k45 n PHE 130 Ca -0.02 -0.55 -0.19 0.00 -1.87 0.00 0.00 57.45 54.82 1k45 n PHE 130 Cb 0.61 0.26 -0.12 0.00 -1.61 0.00 0.00 39.48 38.63 1k45 n PHE 130 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1k45 s GLU 131 N -2.02 0.87 0.16 3.97 2.02 -1.26 -2.26 118.70 120.19 1k45 s GLU 131 Ca 0.12 -1.00 -0.25 0.00 0.02 0.00 0.00 54.97 53.86 1k45 s GLU 131 Cb -0.01 -0.91 0.06 0.00 0.10 0.00 0.00 34.13 33.37 1k45 s GLU 131 CO 0.02 0.20 0.88 -0.06 0.02 0.00 0.00 175.26 176.32 1k45 s PHE 132 N -1.30 -0.19 0.02 1.61 0.08 -1.12 -4.92 117.98 112.15 1k45 s PHE 132 Ca -0.00 -0.12 0.00 0.00 0.12 0.00 0.00 56.93 56.93 1k45 s PHE 132 Cb -0.10 0.64 -0.01 0.00 -0.57 0.00 0.00 43.02 42.98 1k45 s PHE 132 CO 0.03 -0.88 -0.03 -0.08 -0.10 0.00 0.00 175.22 174.16 1k45 s THR 133 N -3.42 0.14 -0.47 0.64 -1.32 -1.26 -1.17 115.64 108.77 1k45 s THR 133 Ca 0.10 -0.64 -0.41 0.00 -1.21 0.00 0.00 61.69 59.54 1k45 s THR 133 Cb -0.02 -0.23 -0.18 0.00 -1.51 0.00 0.00 72.50 70.56 1k45 s THR 133 CO 0.01 -0.32 1.97 0.52 -2.21 0.00 0.00 174.62 174.60 1k45 n VAL 134 N 2.07 0.00 0.21 5.08 0.31 -1.26 -4.78 118.33 119.96 1k45 n VAL 134 Ca -0.20 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 63.98 1k45 n VAL 134 Cb 0.57 -0.47 -0.08 0.00 -0.91 0.00 0.00 33.84 32.95 1k45 n VAL 134 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1k45 h SER 135 N 8.24 -0.42 0.00 4.52 0.02 -1.95 -3.44 113.55 120.52 1k45 h SER 135 Ca -0.11 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1k45 h SER 135 Cb 1.32 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1k45 h SER 135 CO 1.01 -0.21 0.00 0.47 -1.14 0.00 0.00 176.83 176.96 1k45 n ASP 136 N -5.26 0.00 -2.72 3.07 9.92 -1.26 -5.03 116.55 115.27 1k45 n ASP 136 Ca -0.10 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.07 1k45 n ASP 136 Cb 0.24 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.82 1k45 n ASP 136 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k45 n GLN 137 N 0.00 1.14 -3.23 -1.24 6.02 -1.26 -4.91 117.38 113.89 1k45 n GLN 137 Ca 0.00 -2.06 -0.42 0.00 -0.01 0.00 0.00 57.00 54.51 1k45 n GLN 137 Cb 0.00 -0.48 -0.08 0.00 1.02 0.00 0.00 30.24 30.70 1k45 n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1k45 s GLU 138 N -0.23 3.51 0.00 -1.09 0.41 -1.26 -4.89 118.70 115.15 1k45 s GLU 138 Ca 0.23 -0.26 0.29 0.00 -0.41 0.00 0.00 54.97 54.83 1k45 s GLU 138 Cb 0.38 -3.85 1.31 0.00 -1.78 0.00 0.00 34.13 30.18 1k45 s GLU 138 CO -0.07 -0.72 1.95 0.25 -0.49 0.00 0.00 175.26 176.18 1k45 n THR 139 N 5.49 0.03 -3.94 3.63 -2.24 -1.26 -4.56 114.28 111.43 1k45 n THR 139 Ca -0.05 0.01 -0.15 0.00 -2.27 0.00 0.00 64.05 61.59 1k45 n THR 139 Cb 0.49 -0.52 -0.15 0.00 -2.10 0.00 0.00 70.33 68.05 1k45 n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k45 s VAL 140 N -2.87 0.14 0.23 2.28 1.01 -1.26 -1.66 120.40 118.28 1k45 s VAL 140 Ca 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 61.98 62.17 1k45 s VAL 140 Cb 0.19 -0.19 -0.03 0.00 0.00 0.00 0.00 36.38 36.35 1k45 s VAL 140 CO 0.50 0.09 0.20 0.27 0.00 0.00 0.00 175.10 176.16 1k45 s ILE 141 N 0.50 0.00 -0.13 2.22 -4.36 -1.11 -4.61 121.20 113.71 1k45 s ILE 141 Ca -0.05 -1.94 -0.08 0.00 -0.26 0.00 0.00 60.65 58.32 1k45 s ILE 141 Cb -0.07 -2.48 0.04 0.00 1.25 0.00 0.00 42.46 41.20 1k45 s ILE 141 CO -0.01 0.00 0.32 0.00 0.24 0.00 0.00 174.94 175.49 1k45 s ARG 142 N -3.98 0.32 -0.46 0.37 1.70 -0.64 -1.57 118.95 114.69 1k45 s ARG 142 Ca 0.38 0.58 -0.19 0.00 -0.47 0.00 0.00 55.73 56.03 1k45 s ARG 142 Cb 0.05 0.01 0.04 0.00 -0.57 0.00 0.00 34.95 34.49 1k45 s ARG 142 CO 0.15 -0.12 0.57 0.00 -1.08 0.00 0.00 175.30 174.82 1k45 s ALA 143 N 0.92 3.39 -0.41 7.88 0.00 -0.99 -1.75 121.76 130.81 1k45 s ALA 143 Ca -0.06 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 1k45 s ALA 143 Cb -0.07 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.81 1k45 s ALA 143 CO -0.07 -1.83 1.36 -1.25 0.00 0.00 0.00 175.76 173.97 1k45 s PRO 144 N 2.52 3.65 -0.12 0.00 0.04 -0.54 -1.02 135.00 139.52 1k45 s PRO 144 Ca 0.16 0.93 -0.18 0.00 0.04 0.00 0.00 61.00 61.94 1k45 s PRO 144 Cb -0.17 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.34 1k45 s PRO 144 CO 0.14 -1.48 0.48 0.42 0.04 0.00 0.00 177.00 176.60 1k45 s ILE 145 N 5.14 5.19 0.38 0.56 -1.09 0.06 -2.84 121.20 128.60 1k45 s ILE 145 Ca 0.59 0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 59.90 1k45 s ILE 145 Cb -0.13 -3.82 -0.05 0.00 -1.58 0.00 0.00 42.46 36.88 1k45 s ILE 145 CO 0.31 0.32 0.68 -1.00 -1.23 0.00 0.00 174.94 174.02 1k45 s HIS 146 N 0.67 3.50 0.07 3.97 3.76 0.14 -0.03 115.29 127.37 1k45 s HIS 146 Ca 0.26 0.76 -0.26 0.00 -0.15 0.00 0.00 55.06 55.67 1k45 s HIS 146 Cb -0.15 -2.23 0.08 0.00 1.11 0.00 0.00 32.58 31.39 1k45 s HIS 146 CO 0.10 -0.04 0.67 -0.06 -0.85 0.00 0.00 174.74 174.56 1k45 s PHE 147 N -2.39 -0.55 0.00 1.40 0.08 0.49 -3.07 117.98 113.95 1k45 s PHE 147 Ca 0.46 0.57 0.00 0.00 0.12 0.00 0.00 56.93 58.08 1k45 s PHE 147 Cb -0.10 0.51 0.00 0.00 -0.57 0.00 0.00 43.02 42.86 1k45 s PHE 147 CO 0.35 -0.73 0.00 0.41 -0.10 0.00 0.00 175.22 175.16 1k45 n GLY 148 N 0.06 0.71 3.29 4.36 0.00 -1.25 -0.19 105.19 112.16 1k45 n GLY 148 Ca -0.16 -0.27 -0.19 0.00 0.00 0.00 0.00 46.02 45.40 1k45 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k45 s TYR 149 N -0.72 1.58 0.43 1.61 2.02 -1.26 -4.44 117.35 116.57 1k45 s TYR 149 Ca 0.00 -0.54 0.15 0.00 -0.37 0.00 0.00 57.07 56.31 1k45 s TYR 149 Cb 0.00 -0.80 0.96 0.00 -0.40 0.00 0.00 41.96 41.73 1k45 s TYR 149 CO 0.00 0.23 1.96 0.00 -1.57 0.00 0.00 175.55 176.17 1k45 h ALA 150 N 3.26 1.59 0.00 3.71 0.00 -1.97 -0.00 119.26 125.85 1k45 h ALA 150 Ca -0.40 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1k45 h ALA 150 Cb 1.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1k45 h ALA 150 CO 0.53 0.28 0.00 0.00 0.00 0.00 0.00 179.25 180.06 1k45 n ALA 151 N -2.48 1.75 -0.03 0.00 0.00 -1.26 -1.79 120.51 116.70 1k45 n ALA 151 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 53.44 53.42 1k45 n ALA 151 Cb 0.29 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.44 1k45 n ALA 151 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1k45 n ASN 152 N -1.79 2.13 -4.88 0.00 5.15 -0.15 -2.47 115.26 113.25 1k45 n ASN 152 Ca 0.03 -1.96 -0.30 0.00 -0.60 0.00 0.00 54.58 51.75 1k45 n ASN 152 Cb 0.22 -0.04 0.02 0.00 -0.53 0.00 0.00 39.78 39.45 1k45 n ASN 152 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1k45 s VAL 153 N -0.97 4.40 -1.45 3.44 1.01 -0.40 -3.90 120.40 122.53 1k45 s VAL 153 Ca 0.04 0.60 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 1k45 s VAL 153 Cb 0.02 -3.75 0.03 0.00 0.00 0.00 0.00 36.38 32.68 1k45 s VAL 153 CO 0.03 -0.93 0.53 0.61 0.00 0.00 0.00 175.10 175.33 1k45 n GLY 154 N -2.71 -0.51 3.59 4.51 0.00 -0.97 -4.94 105.19 104.17 1k45 n GLY 154 Ca 0.05 0.11 -0.15 0.00 0.00 0.00 0.00 46.02 46.03 1k45 n GLY 154 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k45 s ASN 155 N -2.66 -0.70 -0.17 1.61 -0.87 -1.05 -4.98 114.94 106.13 1k45 s ASN 155 Ca 0.31 1.15 -0.20 0.00 -1.57 0.00 0.00 52.86 52.55 1k45 s ASN 155 Cb -0.15 1.09 -0.03 0.00 -0.02 0.00 0.00 41.25 42.14 1k45 s ASN 155 CO 0.39 -0.38 0.60 -0.89 -2.57 0.00 0.00 177.10 174.25 1k45 s THR 156 N -0.22 5.06 -0.28 1.60 2.01 -1.26 -2.56 115.64 120.00 1k45 s THR 156 Ca -0.04 1.15 -0.09 0.00 0.31 0.00 0.00 61.69 63.02 1k45 s THR 156 Cb -0.03 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.53 1k45 s THR 156 CO 0.04 0.17 0.14 -0.63 -0.69 0.00 0.00 174.62 173.65 1k45 s ILE 157 N 1.51 4.72 -0.21 1.82 1.01 0.13 -1.00 121.20 129.18 1k45 s ILE 157 Ca 0.29 -0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.69 1k45 s ILE 157 Cb -0.16 -3.29 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 1k45 s ILE 157 CO 0.11 0.22 0.13 -0.31 0.00 0.00 0.00 174.94 175.10 1k45 s TYR 158 N 1.66 3.35 -0.02 3.97 1.51 0.94 -1.10 117.35 127.66 1k45 s TYR 158 Ca 0.06 0.24 0.08 0.00 -1.01 0.00 0.00 57.07 56.44 1k45 s TYR 158 Cb -0.16 -2.19 -0.02 0.00 -0.11 0.00 0.00 41.96 39.48 1k45 s TYR 158 CO 0.07 0.17 -0.25 0.42 -1.11 0.00 0.00 175.55 174.84 1k45 s ILE 159 N 0.66 2.01 -0.29 2.71 1.01 -0.96 -1.21 121.20 125.14 1k45 s ILE 159 Ca 0.07 -1.09 -0.22 0.00 0.00 0.00 0.00 60.65 59.41 1k45 s ILE 159 Cb -0.12 -1.67 0.16 0.00 0.01 0.00 0.00 42.46 40.84 1k45 s ILE 159 CO 0.01 0.57 1.21 -0.62 0.00 0.00 0.00 174.94 176.10 1k45 s ASP 160 N -0.60 -0.26 0.00 3.58 2.15 -0.60 -1.63 116.67 119.31 1k45 s ASP 160 Ca 0.10 0.46 0.00 0.00 0.43 0.00 0.00 52.55 53.54 1k45 s ASP 160 Cb -0.10 0.68 0.00 0.00 -0.30 0.00 0.00 42.92 43.21 1k45 s ASP 160 CO -0.01 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.52 1k45 n GLY 161 N 2.39 1.15 3.55 2.66 0.00 -1.25 -1.01 105.19 112.68 1k45 n GLY 161 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1k45 n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k45 s LEU 162 N 0.00 3.41 0.03 0.99 2.96 -1.19 -3.45 118.68 121.43 1k45 s LEU 162 Ca 0.00 1.07 0.03 0.00 -0.22 0.00 0.00 54.13 55.01 1k45 s LEU 162 Cb 0.00 -2.51 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 1k45 s LEU 162 CO 0.00 -2.87 -0.10 0.00 -1.32 0.00 0.00 176.35 172.07 1k45 s ALA 163 N 12.12 0.78 -0.25 5.97 0.00 -0.32 -3.93 121.76 136.13 1k45 s ALA 163 Ca 0.97 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 52.29 1k45 s ALA 163 Cb -0.17 -0.09 0.06 0.00 0.00 0.00 0.00 23.12 22.93 1k45 s ALA 163 CO 0.26 0.11 -0.04 0.42 0.00 0.00 0.00 175.76 176.51 1k45 s ILE 164 N -0.83 1.58 -0.01 0.00 1.01 -1.26 -2.29 121.20 119.40 1k45 s ILE 164 Ca -0.02 -1.32 -0.25 0.00 0.00 0.00 0.00 60.65 59.07 1k45 s ILE 164 Cb -0.07 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.58 1k45 s ILE 164 CO 0.01 -0.15 0.54 0.00 0.00 0.00 0.00 174.94 175.34 1k45 s ALA 165 N 1.36 -1.40 0.70 9.38 0.00 -0.60 -1.23 121.76 129.97 1k45 s ALA 165 Ca -0.04 0.87 -0.05 0.00 0.00 0.00 0.00 51.96 52.73 1k45 s ALA 165 Cb -0.19 0.13 0.08 0.00 0.00 0.00 0.00 23.12 23.14 1k45 s ALA 165 CO -0.07 -0.38 1.00 -1.54 0.00 0.00 0.00 175.76 174.76 1k45 s SER 166 N -1.45 4.70 0.27 0.00 1.04 -1.26 0.16 113.70 117.16 1k45 s SER 166 Ca -0.10 0.26 0.07 0.00 0.48 0.00 0.00 55.95 56.66 1k45 s SER 166 Cb -0.01 -0.87 -0.03 0.00 0.10 0.00 0.00 66.02 65.20 1k45 s SER 166 CO 0.05 -1.64 0.22 0.00 0.98 0.00 0.00 173.24 172.85 1k45 s GLN 167 N -5.20 2.88 0.00 4.02 -2.07 -1.26 -4.85 119.66 113.17 1k45 s GLN 167 Ca 0.61 -1.11 0.29 0.00 -1.82 0.00 0.00 55.36 53.34 1k45 s GLN 167 Cb -0.09 -2.54 1.72 0.00 -1.09 0.00 0.00 33.01 31.01 1k45 s GLN 167 CO 0.44 0.33 2.06 -0.35 -1.32 0.00 0.00 175.29 176.46