#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k42 s LEU 2 N 0.00 2.89 0.00 3.17 2.01 -1.26 -5.08 118.68 120.41 1k42 s LEU 2 Ca 0.00 0.70 0.00 0.00 0.01 0.00 0.00 54.13 54.84 1k42 s LEU 2 Cb 0.00 -3.39 0.00 0.00 0.01 0.00 0.00 46.19 42.81 1k42 s LEU 2 CO 0.00 -1.47 0.00 0.55 1.01 0.00 0.00 176.35 176.44 1k42 n VAL 3 N -2.92 0.00 -0.14 -1.59 3.14 -1.26 -5.02 118.33 110.54 1k42 n VAL 3 Ca 0.07 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.35 1k42 n VAL 3 Cb 0.59 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 33.36 1k42 n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k42 h ALA 4 N 0.00 0.55 -2.67 1.55 0.00 -1.11 -3.42 119.26 114.17 1k42 h ALA 4 Ca 0.00 -0.23 -0.56 0.00 0.00 0.00 0.00 54.91 54.12 1k42 h ALA 4 Cb 0.00 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1k42 h ALA 4 CO 0.00 0.29 0.12 1.21 0.00 0.00 0.00 179.25 180.86 1k42 s ASN 5 N -6.13 7.05 -0.09 0.00 3.84 -1.12 -1.84 114.94 116.65 1k42 s ASN 5 Ca -0.13 1.27 0.02 0.00 0.21 0.00 0.00 52.86 54.22 1k42 s ASN 5 Cb 0.10 -2.43 0.02 0.00 -0.55 0.00 0.00 41.25 38.39 1k42 s ASN 5 CO 0.79 -0.10 -0.12 -0.63 -2.79 0.00 0.00 177.10 174.24 1k42 s ILE 6 N 0.64 1.25 -0.11 -5.21 1.09 -1.26 -4.68 121.20 112.91 1k42 s ILE 6 Ca 0.39 -0.50 0.00 0.00 -1.10 0.00 0.00 60.65 59.43 1k42 s ILE 6 Cb -0.18 -1.16 0.00 0.00 -1.06 0.00 0.00 42.46 40.06 1k42 s ILE 6 CO 0.20 0.39 0.00 -3.20 -0.10 0.00 0.00 174.94 172.22 1k42 n ASN 7 N 4.15 -5.18 0.06 3.58 4.05 -1.26 -3.61 115.26 117.05 1k42 n ASN 7 Ca -0.20 0.03 -0.01 0.00 0.45 0.00 0.00 54.58 54.85 1k42 n ASN 7 Cb 0.51 -2.77 0.29 0.00 1.23 0.00 0.00 39.78 39.04 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 177.26 175.44 1k42 h GLY 8 N 0.00 0.38 -2.11 8.20 0.00 -1.78 -1.37 103.07 106.39 1k42 h GLY 8 Ca -0.02 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1k42 h GLY 8 CO 0.03 0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.44 1k42 n GLY 9 N -0.59 1.82 3.46 4.60 0.00 -1.26 -4.40 105.19 108.82 1k42 n GLY 9 Ca -0.00 -0.50 -0.22 0.00 0.00 0.00 0.00 46.02 45.29 1k42 n GLY 9 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1k42 n PHE 10 N 0.50 -2.70 0.03 1.61 3.72 -0.52 -4.32 117.46 115.79 1k42 n PHE 10 Ca 0.15 0.95 -0.21 0.00 -0.05 0.00 0.00 57.45 58.29 1k42 n PHE 10 Cb 0.62 -4.79 -0.14 0.00 -0.94 0.00 0.00 39.48 34.23 1k42 n PHE 10 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1k42 h GLU 11 N -2.53 0.28 0.14 -1.08 5.08 -1.82 -3.38 114.58 111.27 1k42 h GLU 11 Ca -0.53 -0.48 -0.24 0.00 -1.00 0.00 0.00 59.36 57.10 1k42 h GLU 11 Cb 1.35 0.18 0.03 0.00 0.50 0.00 0.00 28.75 30.80 1k42 h GLU 11 CO 0.52 1.23 -1.04 1.03 -1.00 0.00 0.00 179.01 179.75 1k42 h SER 12 N -0.26 0.68 -2.46 1.42 0.87 -1.91 -3.44 113.55 108.45 1k42 h SER 12 Ca -0.28 -0.88 -0.53 0.00 -1.23 0.00 0.00 61.79 58.87 1k42 h SER 12 Cb 1.79 -0.22 0.03 0.00 -0.44 0.00 0.00 62.40 63.56 1k42 h SER 12 CO 0.09 1.50 1.15 0.41 -0.53 0.00 0.00 176.83 179.45 1k42 n THR 13 N -3.96 0.49 -2.64 2.23 -1.04 -1.26 -4.93 114.28 103.17 1k42 n THR 13 Ca -0.14 -0.09 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 1k42 n THR 13 Cb 0.90 -2.19 -0.05 0.00 -1.82 0.00 0.00 70.33 67.18 1k42 n THR 13 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1k42 s PRO 14 N 3.26 4.71 1.01 -2.82 0.04 -1.26 -4.96 135.00 134.97 1k42 s PRO 14 Ca 0.84 1.59 -0.21 0.00 0.04 0.00 0.00 61.00 63.26 1k42 s PRO 14 Cb -0.46 -3.29 -0.13 0.00 0.04 0.00 0.00 34.50 30.65 1k42 s PRO 14 CO 0.39 0.27 -0.94 0.00 0.04 0.00 0.00 177.00 176.75 1k42 n ALA 15 N 2.03 -5.30 0.00 8.56 0.00 -1.26 -4.88 120.51 119.66 1k42 n ALA 15 Ca 0.01 -1.01 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1k42 n ALA 15 Cb 0.47 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1k42 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k42 n GLY 16 N 3.22 4.19 3.70 0.00 0.00 -0.73 -4.92 105.19 110.65 1k42 n GLY 16 Ca -0.01 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.66 1k42 n GLY 16 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1k42 n VAL 17 N -0.15 2.66 -3.36 1.61 3.14 -1.26 -2.88 118.33 118.08 1k42 n VAL 17 Ca 0.00 -0.50 -0.37 0.00 -2.96 0.00 0.00 64.34 60.51 1k42 n VAL 17 Cb 0.00 -1.57 -0.06 0.00 -1.06 0.00 0.00 33.84 31.15 1k42 n VAL 17 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1k42 s VAL 18 N -1.21 4.86 -0.09 1.55 1.01 -0.61 -4.88 120.40 121.02 1k42 s VAL 18 Ca 0.62 0.94 0.14 0.00 0.00 0.00 0.00 61.98 63.68 1k42 s VAL 18 Cb -0.50 -3.78 -0.24 0.00 0.00 0.00 0.00 36.38 31.86 1k42 s VAL 18 CO 0.57 0.41 0.49 0.35 0.00 0.00 0.00 175.10 176.92 1k42 n THR 19 N 1.28 1.55 -3.69 3.92 -2.24 -1.26 -4.72 114.28 109.11 1k42 n THR 19 Ca -0.09 -0.81 -0.30 0.00 -2.27 0.00 0.00 64.05 60.59 1k42 n THR 19 Cb 0.52 -0.88 -0.15 0.00 -2.10 0.00 0.00 70.33 67.71 1k42 n THR 19 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1k42 s ASP 20 N -5.93 3.92 0.56 3.42 1.01 -1.26 -4.98 116.67 113.41 1k42 s ASP 20 Ca -0.06 -1.62 0.42 0.00 0.71 0.00 0.00 52.55 52.00 1k42 s ASP 20 Cb 0.07 -0.77 1.60 0.00 1.01 0.00 0.00 42.92 44.83 1k42 s ASP 20 CO 0.83 -0.41 1.67 0.17 0.21 0.00 0.00 175.17 177.63 1k42 h LEU 21 N 8.08 0.00 0.16 1.23 -0.00 -1.90 0.38 115.31 123.26 1k42 h LEU 21 Ca -0.14 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 57.73 1k42 h LEU 21 Cb 1.01 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.67 1k42 h LEU 21 CO 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 178.44 178.82 1k42 h ALA 22 N 1.17 -0.23 -0.91 0.17 0.00 -1.94 -2.67 119.26 114.85 1k42 h ALA 22 Ca 0.72 -0.05 -0.49 0.00 0.00 0.00 0.00 54.91 55.09 1k42 h ALA 22 Cb 2.97 0.10 -0.28 0.00 0.00 0.00 0.00 17.79 20.57 1k42 h ALA 22 CO -0.01 -0.63 0.57 -0.85 0.00 0.00 0.00 179.25 178.33 1k42 n GLU 23 N -5.19 2.25 0.12 0.00 0.28 0.12 -4.41 120.64 113.81 1k42 n GLU 23 Ca -0.08 -3.07 -0.06 0.00 -0.16 0.00 0.00 57.16 53.78 1k42 n GLU 23 Cb 0.12 -2.14 -0.03 0.00 1.43 0.00 0.00 31.44 30.81 1k42 n GLU 23 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 1k42 h GLY 24 N 1.11 -0.42 -4.79 -1.84 0.00 -0.88 -3.46 103.07 92.79 1k42 h GLY 24 Ca 0.58 0.15 -0.68 0.00 0.00 0.00 0.00 47.33 47.38 1k42 h GLY 24 CO 1.06 -0.15 -0.88 0.14 0.00 0.00 0.00 176.54 176.71 1k42 s VAL 25 N -2.86 1.99 0.11 4.60 1.01 -1.21 -4.97 120.40 119.07 1k42 s VAL 25 Ca -0.06 -1.06 -0.14 0.00 0.00 0.00 0.00 61.98 60.72 1k42 s VAL 25 Cb 0.01 -1.67 -0.07 0.00 0.00 0.00 0.00 36.38 34.65 1k42 s VAL 25 CO 0.18 0.56 1.44 -0.08 0.00 0.00 0.00 175.10 177.20 1k42 h GLU 26 N 5.76 0.74 0.00 2.72 4.81 -1.88 -2.76 114.58 123.97 1k42 h GLU 26 Ca -0.38 -0.37 0.00 0.00 -0.13 0.00 0.00 59.36 58.48 1k42 h GLU 26 Cb 1.15 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1k42 h GLU 26 CO 0.47 0.99 0.00 0.41 -0.73 0.00 0.00 179.01 180.15 1k42 n GLY 27 N 0.11 -1.48 2.88 1.92 0.00 -1.23 -4.60 105.19 102.78 1k42 n GLY 27 Ca -0.03 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 1k42 n GLY 27 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1k42 s TRP 28 N -3.09 1.05 -0.25 1.61 0.52 -1.04 -1.42 118.94 116.32 1k42 s TRP 28 Ca 0.10 -0.41 -0.03 0.00 0.02 0.00 0.00 56.10 55.79 1k42 s TRP 28 Cb 0.13 -0.94 0.02 0.00 -1.15 0.00 0.00 33.47 31.53 1k42 s TRP 28 CO 0.50 -0.35 -0.04 -0.51 0.02 0.00 0.00 176.95 176.57 1k42 s ASP 29 N 1.45 4.41 0.41 2.95 1.11 -0.04 -3.29 116.67 123.67 1k42 s ASP 29 Ca -0.02 -0.78 0.06 0.00 0.18 0.00 0.00 52.55 51.99 1k42 s ASP 29 Cb -0.13 -1.70 0.01 0.00 1.07 0.00 0.00 42.92 42.16 1k42 s ASP 29 CO -0.04 -0.12 0.56 -0.76 1.18 0.00 0.00 175.17 176.00 1k42 s LEU 30 N 1.37 3.72 -0.29 1.23 1.43 -1.17 -2.09 118.68 122.88 1k42 s LEU 30 Ca 0.01 -0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 1k42 s LEU 30 Cb -0.16 -2.75 0.12 0.00 0.03 0.00 0.00 46.19 43.42 1k42 s LEU 30 CO -0.03 -0.69 0.68 0.20 0.23 0.00 0.00 176.35 176.74 1k42 s ASN 31 N -4.29 -1.05 -0.18 2.29 -0.87 -0.37 -3.91 114.94 106.55 1k42 s ASN 31 Ca 0.51 1.52 -0.09 0.00 -1.57 0.00 0.00 52.86 53.24 1k42 s ASN 31 Cb -0.10 1.97 -0.05 0.00 -0.02 0.00 0.00 41.25 43.05 1k42 s ASN 31 CO 0.33 -0.22 0.11 0.68 -2.57 0.00 0.00 177.10 175.43 1k42 s VAL 32 N 2.45 5.24 0.57 1.60 -7.23 -1.26 -2.23 120.40 119.53 1k42 s VAL 32 Ca -0.07 0.12 0.09 0.00 -1.81 0.00 0.00 61.98 60.31 1k42 s VAL 32 Cb -0.09 -3.36 0.08 0.00 0.56 0.00 0.00 36.38 33.56 1k42 s VAL 32 CO -0.19 0.48 0.70 -0.83 -0.31 0.00 0.00 175.10 174.95 1k42 s GLY 33 N 0.10 1.88 0.45 2.32 0.00 -1.17 -4.95 107.32 105.96 1k42 s GLY 33 Ca 0.08 -1.94 0.27 0.00 0.00 0.00 0.00 44.72 43.13 1k42 s GLY 33 CO -0.00 -1.75 1.82 1.76 0.00 0.00 0.00 173.10 174.93 1k42 h SER 34 N 0.31 0.00 -0.74 1.64 0.02 -1.92 -0.94 113.55 111.91 1k42 h SER 34 Ca -0.31 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1k42 h SER 34 Cb 1.29 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.80 1k42 h SER 34 CO 0.44 0.00 0.37 0.77 -1.14 0.00 0.00 176.83 177.28 1k42 h SER 35 N 0.00 0.97 -0.48 3.07 4.64 -1.90 -3.37 113.55 116.49 1k42 h SER 35 Ca 0.00 -0.10 -0.11 0.00 -0.47 0.00 0.00 61.79 61.10 1k42 h SER 35 Cb 0.17 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 61.99 1k42 h SER 35 CO 0.00 0.81 0.29 -0.69 -0.87 0.00 0.00 176.83 176.37 1k42 s VAL 36 N -5.63 3.18 0.26 0.95 1.01 -0.36 -3.76 120.40 116.04 1k42 s VAL 36 Ca -0.11 -0.15 0.14 0.00 0.00 0.00 0.00 61.98 61.86 1k42 s VAL 36 Cb 0.17 -3.42 0.06 0.00 0.00 0.00 0.00 36.38 33.19 1k42 s VAL 36 CO 0.81 -0.37 1.71 0.74 0.00 0.00 0.00 175.10 177.99 1k42 h THR 37 N 7.50 1.18 -4.10 3.92 2.02 -1.73 -3.43 112.91 118.27 1k42 h THR 37 Ca 0.04 -1.71 -0.69 0.00 0.77 0.00 0.00 66.41 64.82 1k42 h THR 37 Cb 1.00 1.96 -0.24 0.00 -1.74 0.00 0.00 68.15 69.13 1k42 h THR 37 CO 1.08 0.46 -0.79 0.20 0.37 0.00 0.00 175.52 176.85 1k42 s ASN 38 N -6.69 3.89 -0.38 4.18 0.01 -1.26 -5.08 114.94 109.61 1k42 s ASN 38 Ca -0.01 -0.24 -0.29 0.00 -0.71 0.00 0.00 52.86 51.61 1k42 s ASN 38 Cb 0.12 -0.79 0.01 0.00 0.41 0.00 0.00 41.25 41.00 1k42 s ASN 38 CO 0.72 0.34 1.33 -2.16 -1.51 0.00 0.00 177.10 175.83 1k42 s PRO 39 N -0.69 3.71 1.05 -0.60 0.04 -1.26 -4.87 135.00 132.38 1k42 s PRO 39 Ca 0.11 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.96 1k42 s PRO 39 Cb -0.11 -3.96 0.24 0.00 0.04 0.00 0.00 34.50 30.72 1k42 s PRO 39 CO 0.00 -1.39 1.30 -1.25 0.04 0.00 0.00 177.00 175.70 1k42 s PRO 40 N 4.61 -0.09 -0.19 0.56 0.04 -1.26 -4.93 135.00 133.74 1k42 s PRO 40 Ca 0.58 -0.44 -0.00 0.00 0.04 0.00 0.00 61.00 61.17 1k42 s PRO 40 Cb -0.14 -1.76 0.01 0.00 0.04 0.00 0.00 34.50 32.65 1k42 s PRO 40 CO 0.29 -2.90 -0.15 0.08 0.04 0.00 0.00 177.00 174.36 1k42 s VAL 41 N -3.73 2.52 -0.33 -0.36 1.01 -1.11 -4.90 120.40 113.49 1k42 s VAL 41 Ca 0.75 -0.79 -0.08 0.00 0.00 0.00 0.00 61.98 61.86 1k42 s VAL 41 Cb -0.04 -2.09 0.02 0.00 0.00 0.00 0.00 36.38 34.27 1k42 s VAL 41 CO 0.54 0.50 0.14 -0.36 0.00 0.00 0.00 175.10 175.92 1k42 s PHE 42 N 1.28 3.21 -0.04 5.22 0.08 -1.26 -2.04 117.98 124.44 1k42 s PHE 42 Ca 0.04 -1.03 -0.15 0.00 0.12 0.00 0.00 56.93 55.91 1k42 s PHE 42 Cb -0.14 -2.33 0.03 0.00 -0.57 0.00 0.00 43.02 40.01 1k42 s PHE 42 CO -0.08 -0.62 0.34 -2.00 -0.10 0.00 0.00 175.22 172.76 1k42 s GLU 43 N 1.51 0.65 0.03 0.44 -6.30 -1.11 -1.57 118.70 112.35 1k42 s GLU 43 Ca 0.02 -0.05 -0.00 0.00 -2.50 0.00 0.00 54.97 52.44 1k42 s GLU 43 Cb -0.18 0.29 -0.04 0.00 0.00 0.00 0.00 34.13 34.20 1k42 s GLU 43 CO 0.04 -0.17 0.16 0.08 0.02 0.00 0.00 175.26 175.39 1k42 s VAL 44 N -1.06 5.13 0.17 3.70 1.01 -1.14 -0.63 120.40 127.58 1k42 s VAL 44 Ca -0.11 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1k42 s VAL 44 Cb -0.04 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1k42 s VAL 44 CO 0.04 0.22 0.36 -1.48 0.00 0.00 0.00 175.10 174.24 1k42 s LEU 45 N -2.20 0.67 -0.15 3.92 -0.00 -0.96 -1.77 118.68 118.19 1k42 s LEU 45 Ca 0.30 -0.69 0.02 0.00 -0.00 0.00 0.00 54.13 53.76 1k42 s LEU 45 Cb -0.13 1.53 0.01 0.00 -0.00 0.00 0.00 46.19 47.61 1k42 s LEU 45 CO 0.22 -0.93 -0.21 -1.83 -0.00 0.00 0.00 176.35 173.59 1k42 s GLU 46 N -3.92 3.01 0.53 1.48 -1.05 -1.26 -1.62 118.70 115.86 1k42 s GLU 46 Ca 0.13 -0.85 0.02 0.00 -0.15 0.00 0.00 54.97 54.12 1k42 s GLU 46 Cb 0.02 -2.46 0.00 0.00 -0.44 0.00 0.00 34.13 31.25 1k42 s GLU 46 CO -0.03 -0.06 0.10 0.95 0.95 0.00 0.00 175.26 177.18 1k42 s THR 47 N 0.93 1.23 -1.91 1.83 -4.23 -0.91 -4.97 115.64 107.60 1k42 s THR 47 Ca -0.04 -1.87 0.21 0.00 -1.18 0.00 0.00 61.69 58.81 1k42 s THR 47 Cb -0.15 -2.10 0.54 0.00 1.34 0.00 0.00 72.50 72.13 1k42 s THR 47 CO -0.05 0.00 1.46 -1.54 -0.54 0.00 0.00 174.62 173.95 1k42 n SER 48 N -1.41 3.68 0.00 3.99 3.41 -1.26 -4.17 113.62 117.85 1k42 n SER 48 Ca -0.16 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 1k42 n SER 48 Cb 0.66 -0.39 0.00 0.00 -0.26 0.00 0.00 64.21 64.22 1k42 n SER 48 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1k42 n ASP 49 N 1.44 1.38 -4.36 4.04 8.00 -1.26 -5.07 116.55 120.72 1k42 n ASP 49 Ca 0.21 -1.64 -0.40 0.00 0.71 0.00 0.00 54.79 53.67 1k42 n ASP 49 Cb 0.59 0.00 0.02 0.00 -0.02 0.00 0.00 41.12 41.70 1k42 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k42 n ALA 50 N -0.32 -2.19 0.09 2.24 0.00 -1.26 -4.88 120.51 114.20 1k42 n ALA 50 Ca 0.00 0.02 -0.23 0.00 0.00 0.00 0.00 53.44 53.24 1k42 n ALA 50 Cb 0.28 -1.61 -0.13 0.00 0.00 0.00 0.00 19.45 17.99 1k42 n ALA 50 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1k42 h PRO 51 N 0.26 0.62 -3.18 0.00 0.13 -1.91 -3.42 132.00 124.50 1k42 h PRO 51 Ca -0.42 -0.84 -0.60 0.00 -0.87 0.00 0.00 66.00 63.28 1k42 h PRO 51 Cb 1.43 0.28 -0.40 0.00 0.13 0.00 0.00 31.00 32.44 1k42 h PRO 51 CO 0.46 1.38 -0.76 -1.21 -0.23 0.00 0.00 178.00 177.65 1k42 s GLU 52 N -2.95 0.97 0.29 0.86 8.01 -1.26 -4.98 118.70 119.63 1k42 s GLU 52 Ca -0.10 -1.55 0.00 0.00 0.01 0.00 0.00 54.97 53.33 1k42 s GLU 52 Cb 0.05 -2.08 0.00 0.00 -4.31 0.00 0.00 34.13 27.79 1k42 s GLU 52 CO 0.93 -1.10 0.00 0.41 0.01 0.00 0.00 175.26 175.52 1k42 n GLY 53 N 4.13 0.97 0.52 -1.39 0.00 -1.26 -4.50 105.19 103.65 1k42 n GLY 53 Ca 0.05 -1.22 -0.00 0.00 0.00 0.00 0.00 46.02 44.85 1k42 n GLY 53 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k42 n ASN 54 N 0.33 -0.02 -3.98 1.61 3.02 -1.26 -4.58 115.26 110.38 1k42 n ASN 54 Ca 0.00 -1.27 -0.13 0.00 -0.03 0.00 0.00 54.58 53.15 1k42 n ASN 54 Cb 0.00 -0.04 -0.13 0.00 -0.61 0.00 0.00 39.78 39.00 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1k42 s LYS 55 N 0.00 0.35 0.30 3.52 1.02 -1.26 -2.14 119.74 121.53 1k42 s LYS 55 Ca 0.00 -0.42 -0.08 0.00 0.02 0.00 0.00 55.97 55.49 1k42 s LYS 55 Cb 0.00 -0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.13 1k42 s LYS 55 CO -0.00 0.04 0.49 0.14 -0.92 0.00 0.00 175.35 175.09 1k42 s VAL 56 N -0.79 0.00 -0.49 3.17 -7.23 -0.64 -4.50 120.40 109.92 1k42 s VAL 56 Ca -0.06 -1.49 -0.14 0.00 -1.81 0.00 0.00 61.98 58.47 1k42 s VAL 56 Cb -0.06 -2.48 0.10 0.00 0.56 0.00 0.00 36.38 34.49 1k42 s VAL 56 CO -0.00 0.00 0.41 -0.22 -0.31 0.00 0.00 175.10 174.98 1k42 s LEU 57 N -3.13 5.77 -0.29 1.32 2.96 -0.72 -2.27 118.68 122.32 1k42 s LEU 57 Ca 0.26 -1.56 -0.27 0.00 -0.22 0.00 0.00 54.13 52.35 1k42 s LEU 57 Cb -0.01 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.54 1k42 s LEU 57 CO 0.15 -0.71 0.98 0.00 -1.32 0.00 0.00 176.35 175.45 1k42 s ALA 58 N 1.58 3.56 0.01 5.97 0.00 0.20 -2.03 121.76 131.05 1k42 s ALA 58 Ca 0.04 -0.09 0.04 0.00 0.00 0.00 0.00 51.96 51.94 1k42 s ALA 58 Cb -0.26 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 1k42 s ALA 58 CO 0.04 -1.28 -0.09 0.08 0.00 0.00 0.00 175.76 174.52 1k42 s VAL 59 N 3.32 3.49 -0.71 0.00 1.01 -0.42 -2.74 120.40 124.36 1k42 s VAL 59 Ca 0.41 -0.86 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1k42 s VAL 59 Cb -0.13 -2.52 0.18 0.00 0.00 0.00 0.00 36.38 33.91 1k42 s VAL 59 CO 0.12 0.37 0.56 -0.89 0.00 0.00 0.00 175.10 175.26 1k42 s THR 60 N -1.00 4.25 -0.08 3.92 2.01 -0.86 0.05 115.64 123.93 1k42 s THR 60 Ca 0.17 -2.94 -0.25 0.00 0.31 0.00 0.00 61.69 58.98 1k42 s THR 60 Cb -0.11 -3.71 -0.03 0.00 0.01 0.00 0.00 72.50 68.66 1k42 s THR 60 CO 0.07 -0.94 0.76 -0.69 -0.69 0.00 0.00 174.62 173.14 1k42 s VAL 61 N -0.15 4.99 -0.46 3.82 1.01 -1.10 -2.76 120.40 125.75 1k42 s VAL 61 Ca 0.18 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.79 1k42 s VAL 61 Cb -0.17 -4.10 0.31 0.00 0.00 0.00 0.00 36.38 32.42 1k42 s VAL 61 CO -0.05 0.19 1.08 -0.46 0.00 0.00 0.00 175.10 175.86 1k42 n ASN 62 N 4.09 -2.43 0.00 3.32 0.23 -1.26 -2.04 115.26 117.16 1k42 n ASN 62 Ca 0.01 -3.65 0.00 0.00 -0.53 0.00 0.00 54.58 50.41 1k42 n ASN 62 Cb 0.51 1.92 0.00 0.00 -2.08 0.00 0.00 39.78 40.12 1k42 n ASN 62 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k42 n GLY 63 N 0.56 0.50 1.34 4.83 0.00 -1.26 -4.86 105.19 106.31 1k42 n GLY 63 Ca 0.07 0.31 -0.10 0.00 0.00 0.00 0.00 46.02 46.30 1k42 n GLY 63 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1k42 n VAL 64 N 0.00 0.00 -3.20 1.61 0.24 -1.26 -4.00 118.33 111.71 1k42 n VAL 64 Ca 0.00 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 1k42 n VAL 64 Cb 0.00 -1.82 0.00 0.00 -1.47 0.00 0.00 33.84 30.55 1k42 n VAL 64 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1k42 n GLY 65 N 1.94 5.44 0.69 7.63 0.00 -1.25 -4.22 105.19 115.43 1k42 n GLY 65 Ca 0.06 -1.60 0.06 0.00 0.00 0.00 0.00 46.02 44.53 1k42 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k42 n ASN 66 N -0.51 2.00 -4.13 1.61 5.15 -1.26 -4.85 115.26 113.27 1k42 n ASN 66 Ca 0.00 -2.01 -0.18 0.00 -0.60 0.00 0.00 54.58 51.79 1k42 n ASN 66 Cb 0.00 -0.26 -0.12 0.00 -0.53 0.00 0.00 39.78 38.87 1k42 n ASN 66 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k42 s ASN 67 N -0.98 1.46 0.00 1.20 0.01 -1.26 -5.01 114.94 110.35 1k42 s ASN 67 Ca 0.25 -0.53 0.00 0.00 -0.71 0.00 0.00 52.86 51.87 1k42 s ASN 67 Cb 0.13 -0.05 0.00 0.00 0.41 0.00 0.00 41.25 41.74 1k42 s ASN 67 CO 0.16 -0.06 0.78 -0.81 -1.51 0.00 0.00 177.10 175.66 1k42 n PRO 68 N 1.58 0.92 -2.89 -0.60 -0.04 -1.26 -3.89 135.00 128.82 1k42 n PRO 68 Ca -0.20 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.08 1k42 n PRO 68 Cb 0.55 -1.14 -0.01 0.00 -0.04 0.00 0.00 33.50 32.86 1k42 n PRO 68 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1k42 n TRP 69 N -0.34 1.65 -0.00 0.54 2.14 -1.26 -4.65 117.44 115.51 1k42 n TRP 69 Ca 0.00 -3.45 -0.00 0.00 2.07 0.00 0.00 57.50 56.11 1k42 n TRP 69 Cb 0.07 -0.37 -0.00 0.00 -0.81 0.00 0.00 31.31 30.19 1k42 n TRP 69 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 1k42 h ASP 70 N 2.94 -0.01 -3.42 -0.67 5.19 -1.65 -3.40 116.42 115.39 1k42 h ASP 70 Ca 0.08 0.00 -0.59 0.00 -0.62 0.00 0.00 57.03 55.89 1k42 h ASP 70 Cb 0.94 0.00 -0.10 0.00 0.18 0.00 0.00 39.33 40.35 1k42 h ASP 70 CO 0.61 0.07 0.04 -0.63 -3.12 0.00 0.00 179.24 176.21 1k42 s ILE 71 N -1.25 5.07 -0.14 0.35 1.09 -0.09 -3.03 121.20 123.19 1k42 s ILE 71 Ca -0.00 1.09 -0.00 0.00 -1.10 0.00 0.00 60.65 60.64 1k42 s ILE 71 Cb 0.00 -3.90 -0.01 0.00 -1.06 0.00 0.00 42.46 37.49 1k42 s ILE 71 CO 0.01 0.16 -0.14 -0.70 -0.10 0.00 0.00 174.94 174.17 1k42 s GLU 72 N 1.64 3.34 -0.23 2.79 2.12 -0.95 -0.62 118.70 126.79 1k42 s GLU 72 Ca 0.27 -0.70 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 1k42 s GLU 72 Cb -0.16 -2.63 0.07 0.00 0.26 0.00 0.00 34.13 31.67 1k42 s GLU 72 CO 0.10 0.16 0.03 0.00 -0.54 0.00 0.00 175.26 175.01 1k42 s ALA 73 N 0.48 1.40 0.33 6.30 0.00 -0.51 -1.24 121.76 128.52 1k42 s ALA 73 Ca -0.10 -1.11 0.10 0.00 0.00 0.00 0.00 51.96 50.85 1k42 s ALA 73 Cb -0.16 -1.36 -0.06 0.00 0.00 0.00 0.00 23.12 21.55 1k42 s ALA 73 CO 0.05 -1.30 -0.06 0.99 0.00 0.00 0.00 175.76 175.44 1k42 s THR 74 N 1.67 2.51 -0.05 0.00 2.01 -0.89 -0.49 115.64 120.41 1k42 s THR 74 Ca 0.00 -2.12 0.06 0.00 0.31 0.00 0.00 61.69 59.94 1k42 s THR 74 Cb -0.18 -2.67 -0.02 0.00 0.01 0.00 0.00 72.50 69.65 1k42 s THR 74 CO -0.11 -0.24 -0.24 0.00 -0.69 0.00 0.00 174.62 173.34 1k42 s ALA 75 N -2.54 2.23 0.00 7.40 0.00 -0.68 -0.86 121.76 127.32 1k42 s ALA 75 Ca 0.33 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.23 1k42 s ALA 75 Cb -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 22.44 1k42 s ALA 75 CO 0.18 0.47 0.00 1.97 0.00 0.00 0.00 175.76 178.37 1k42 n PHE 76 N 2.72 0.00 -1.90 0.00 1.16 -0.50 -2.35 117.46 116.58 1k42 n PHE 76 Ca -0.17 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.12 1k42 n PHE 76 Cb 0.52 0.00 0.07 0.00 -1.61 0.00 0.00 39.48 38.46 1k42 n PHE 76 CO 0.00 0.00 0.00 -1.25 -1.87 0.00 0.00 176.76 173.64 1k42 s PRO 77 N -2.00 2.38 0.11 3.97 0.04 -1.26 -4.28 135.00 133.96 1k42 s PRO 77 Ca 0.00 0.27 0.08 0.00 0.04 0.00 0.00 61.00 61.39 1k42 s PRO 77 Cb 0.00 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 1k42 s PRO 77 CO 0.00 -1.33 -0.20 0.08 0.04 0.00 0.00 177.00 175.59 1k42 s VAL 78 N -3.47 1.70 -0.25 -0.36 1.01 -0.58 -4.22 120.40 114.23 1k42 s VAL 78 Ca 0.60 -1.61 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1k42 s VAL 78 Cb -0.11 -1.59 0.04 0.00 0.00 0.00 0.00 36.38 34.72 1k42 s VAL 78 CO 0.50 -0.12 -0.08 0.20 0.00 0.00 0.00 175.10 175.60 1k42 s ASN 79 N -2.05 4.32 0.34 3.32 0.01 -0.77 -2.82 114.94 117.29 1k42 s ASN 79 Ca 0.08 -1.08 0.01 0.00 -0.71 0.00 0.00 52.86 51.16 1k42 s ASN 79 Cb -0.09 -1.62 0.01 0.00 0.41 0.00 0.00 41.25 39.96 1k42 s ASN 79 CO 0.05 -0.16 0.06 1.33 -1.51 0.00 0.00 177.10 176.87 1k42 n VAL 80 N 4.58 0.00 -4.16 1.60 0.24 -0.88 -4.08 118.33 115.63 1k42 n VAL 80 Ca -0.16 -1.53 -0.15 0.00 -2.04 0.00 0.00 64.34 60.46 1k42 n VAL 80 Cb 0.45 0.20 -0.13 0.00 -1.47 0.00 0.00 33.84 32.90 1k42 n VAL 80 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1k42 s ARG 81 N -3.25 0.56 -0.35 7.34 6.06 -1.26 -4.69 118.95 123.36 1k42 s ARG 81 Ca 0.04 -0.52 -0.29 0.00 -2.50 0.00 0.00 55.73 52.47 1k42 s ARG 81 Cb -0.00 -0.46 0.01 0.00 0.06 0.00 0.00 34.95 34.55 1k42 s ARG 81 CO 0.03 0.11 1.31 -1.25 -2.50 0.00 0.00 175.30 172.99 1k42 s PRO 82 N -0.88 3.81 0.00 5.12 0.04 -1.26 -3.09 135.00 138.74 1k42 s PRO 82 Ca -0.03 1.09 0.00 0.00 0.04 0.00 0.00 61.00 62.10 1k42 s PRO 82 Cb -0.06 -3.92 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1k42 s PRO 82 CO 0.00 -1.26 0.00 0.41 0.04 0.00 0.00 177.00 176.19 1k42 n GLY 83 N 4.55 2.30 3.84 0.56 0.00 -1.26 -5.05 105.19 110.13 1k42 n GLY 83 Ca 0.15 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1k42 n GLY 83 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k42 s VAL 84 N -2.07 4.64 -0.06 1.61 1.01 -1.18 -4.97 120.40 119.38 1k42 s VAL 84 Ca 0.00 1.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 1k42 s VAL 84 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1k42 s VAL 84 CO 0.00 -0.19 0.33 -0.89 0.00 0.00 0.00 175.10 174.35 1k42 s THR 85 N -1.99 5.20 0.24 3.92 2.01 -1.26 -4.12 115.64 119.63 1k42 s THR 85 Ca 0.55 0.64 0.11 0.00 0.31 0.00 0.00 61.69 63.30 1k42 s THR 85 Cb -0.10 -3.62 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 1k42 s THR 85 CO 0.17 0.55 -0.16 -0.31 -0.69 0.00 0.00 174.62 174.18 1k42 s TYR 86 N -0.79 2.42 0.12 4.92 1.51 -0.59 -1.83 117.35 123.10 1k42 s TYR 86 Ca 0.21 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1k42 s TYR 86 Cb -0.15 -1.12 -0.04 0.00 -0.11 0.00 0.00 41.96 40.55 1k42 s TYR 86 CO 0.09 0.61 -0.22 0.99 -1.11 0.00 0.00 175.55 175.91 1k42 s THR 87 N -2.10 2.55 -0.25 -0.71 2.01 -0.60 -2.19 115.64 114.34 1k42 s THR 87 Ca 0.27 -1.60 0.01 0.00 0.31 0.00 0.00 61.69 60.68 1k42 s THR 87 Cb -0.07 -2.14 0.07 0.00 0.01 0.00 0.00 72.50 70.37 1k42 s THR 87 CO 0.14 0.12 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.86 1k42 s TYR 88 N -1.08 2.43 0.06 4.92 1.51 -0.86 -2.75 117.35 121.58 1k42 s TYR 88 Ca 0.16 -1.86 0.07 0.00 -1.01 0.00 0.00 57.07 54.43 1k42 s TYR 88 Cb -0.10 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 40.00 1k42 s TYR 88 CO 0.08 -0.80 -0.16 0.99 -1.11 0.00 0.00 175.55 174.55 1k42 s THR 89 N 1.38 2.98 0.15 -0.71 2.01 -1.02 -2.27 115.64 118.16 1k42 s THR 89 Ca -0.02 -1.21 -0.12 0.00 0.31 0.00 0.00 61.69 60.64 1k42 s THR 89 Cb -0.19 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.03 1k42 s THR 89 CO -0.08 0.27 0.35 -0.51 -0.69 0.00 0.00 174.62 173.95 1k42 s ILE 90 N -1.02 0.07 -0.07 1.82 2.07 -0.24 -1.08 121.20 122.75 1k42 s ILE 90 Ca 0.16 -1.07 0.01 0.00 -1.41 0.00 0.00 60.65 58.35 1k42 s ILE 90 Cb -0.11 -1.58 0.02 0.00 0.13 0.00 0.00 42.46 40.93 1k42 s ILE 90 CO 0.08 -0.32 -0.08 0.26 -1.91 0.00 0.00 174.94 172.97 1k42 s TRP 91 N -3.90 1.15 0.07 3.50 0.52 -0.56 -1.55 118.94 118.18 1k42 s TRP 91 Ca 0.11 -0.43 0.07 0.00 0.02 0.00 0.00 56.10 55.87 1k42 s TRP 91 Cb 0.02 -0.94 -0.04 0.00 -1.15 0.00 0.00 33.47 31.37 1k42 s TRP 91 CO -0.05 -0.30 -0.16 0.00 0.02 0.00 0.00 176.95 176.46 1k42 s ALA 92 N 1.06 2.69 -0.30 0.98 0.00 -1.15 -1.73 121.76 123.31 1k42 s ALA 92 Ca -0.08 -1.23 -0.10 0.00 0.00 0.00 0.00 51.96 50.55 1k42 s ALA 92 Cb -0.14 -0.76 0.15 0.00 0.00 0.00 0.00 23.12 22.37 1k42 s ALA 92 CO -0.01 0.59 0.71 0.50 0.00 0.00 0.00 175.76 177.56 1k42 s ARG 93 N -1.72 0.52 0.35 0.00 3.52 -0.65 -1.37 118.95 119.60 1k42 s ARG 93 Ca 0.16 1.22 0.07 0.00 -0.13 0.00 0.00 55.73 57.06 1k42 s ARG 93 Cb -0.11 0.73 -0.02 0.00 -1.56 0.00 0.00 34.95 33.99 1k42 s ARG 93 CO 0.08 -0.25 0.33 0.00 -0.81 0.00 0.00 175.30 174.64 1k42 s ALA 94 N 2.82 3.93 0.10 6.12 0.00 -1.15 -0.97 121.76 132.61 1k42 s ALA 94 Ca -0.01 -1.68 -0.22 0.00 0.00 0.00 0.00 51.96 50.05 1k42 s ALA 94 Cb -0.11 -1.19 -0.13 0.00 0.00 0.00 0.00 23.12 21.69 1k42 s ALA 94 CO -0.19 -0.05 1.74 0.93 0.00 0.00 0.00 175.76 178.19 1k42 h GLU 95 N 1.17 0.02 -6.48 0.00 4.39 -1.54 -3.38 114.58 108.75 1k42 h GLU 95 Ca -0.44 -0.00 -0.67 0.00 0.34 0.00 0.00 59.36 58.59 1k42 h GLU 95 Cb 1.26 -0.01 -0.16 0.00 -0.10 0.00 0.00 28.75 29.74 1k42 h GLU 95 CO 0.57 0.02 -0.73 -0.65 -1.16 0.00 0.00 179.01 177.06 1k42 s GLN 96 N -6.19 2.25 0.86 2.33 1.11 -1.26 -4.79 119.66 113.97 1k42 s GLN 96 Ca -0.13 -0.94 -0.11 0.00 0.01 0.00 0.00 55.36 54.19 1k42 s GLN 96 Cb 0.07 -2.36 0.11 0.00 -1.01 0.00 0.00 33.01 29.82 1k42 s GLN 96 CO 0.67 0.53 1.09 0.34 0.01 0.00 0.00 175.29 177.93 1k42 s ASP 97 N -2.00 3.69 0.00 5.90 -1.08 -1.26 -4.38 116.67 117.54 1k42 s ASP 97 Ca 0.20 1.65 0.00 0.00 -0.52 0.00 0.00 52.55 53.88 1k42 s ASP 97 Cb -0.11 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.03 1k42 s ASP 97 CO 0.12 -2.52 0.00 0.61 0.52 0.00 0.00 175.17 173.90 1k42 n GLY 98 N -1.00 1.01 3.36 2.66 0.00 -1.11 -4.94 105.19 105.17 1k42 n GLY 98 Ca 0.08 -0.23 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 1k42 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k42 s ALA 99 N -2.31 2.30 0.12 4.61 0.00 -1.15 -4.50 121.76 120.82 1k42 s ALA 99 Ca 0.00 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 50.88 1k42 s ALA 99 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1k42 s ALA 99 CO 0.00 0.54 -0.24 0.08 0.00 0.00 0.00 175.76 176.14 1k42 s VAL 100 N -0.75 2.43 0.17 0.00 1.01 -1.03 0.28 120.40 122.52 1k42 s VAL 100 Ca 0.11 -1.66 -0.11 0.00 0.00 0.00 0.00 61.98 60.32 1k42 s VAL 100 Cb -0.10 -2.08 -0.00 0.00 0.00 0.00 0.00 36.38 34.20 1k42 s VAL 100 CO 0.01 0.11 0.34 -0.69 0.00 0.00 0.00 175.10 174.87 1k42 s VAL 101 N -1.07 0.06 -0.08 2.92 1.01 -1.16 -4.55 120.40 117.53 1k42 s VAL 101 Ca 0.15 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.88 1k42 s VAL 101 Cb -0.10 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1k42 s VAL 101 CO 0.07 -0.25 -0.08 -0.44 0.00 0.00 0.00 175.10 174.40 1k42 s SER 102 N -2.95 1.76 -0.30 3.32 0.01 -1.16 -2.46 113.70 111.93 1k42 s SER 102 Ca 0.16 -0.25 0.03 0.00 1.31 0.00 0.00 55.95 57.19 1k42 s SER 102 Cb 0.02 -0.74 0.08 0.00 0.21 0.00 0.00 66.02 65.60 1k42 s SER 102 CO -0.00 -0.06 -0.00 -0.36 0.41 0.00 0.00 173.24 173.23 1k42 s PHE 103 N 1.19 3.17 0.31 2.43 0.40 -1.17 -0.37 117.98 123.94 1k42 s PHE 103 Ca -0.05 -2.48 0.09 0.00 -0.60 0.00 0.00 56.93 53.89 1k42 s PHE 103 Cb -0.14 -2.31 -0.06 0.00 0.51 0.00 0.00 43.02 41.02 1k42 s PHE 103 CO -0.02 -0.89 -0.11 0.95 0.70 0.00 0.00 175.22 175.84 1k42 s THR 104 N 1.12 2.13 -0.24 0.64 -4.23 -1.13 -2.01 115.64 111.91 1k42 s THR 104 Ca 0.03 -2.23 -0.03 0.00 -1.18 0.00 0.00 61.69 58.27 1k42 s THR 104 Cb -0.19 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1k42 s THR 104 CO -0.09 -0.29 -0.04 0.68 -0.54 0.00 0.00 174.62 174.34 1k42 s VAL 105 N -2.70 3.27 0.45 2.29 -7.23 -1.10 -1.74 120.40 113.65 1k42 s VAL 105 Ca 0.31 -0.68 0.07 0.00 -1.81 0.00 0.00 61.98 59.87 1k42 s VAL 105 Cb 0.01 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.38 1k42 s VAL 105 CO 0.15 0.32 0.34 -0.83 -0.31 0.00 0.00 175.10 174.76 1k42 s GLY 106 N 1.43 2.26 0.39 2.32 0.00 -0.16 -2.82 107.32 110.74 1k42 s GLY 106 Ca 0.04 -1.76 0.05 0.00 0.00 0.00 0.00 44.72 43.04 1k42 s GLY 106 CO -0.03 -1.82 0.04 0.21 0.00 0.00 0.00 173.10 171.49 1k42 s ASN 107 N -4.12 3.31 0.13 1.64 2.47 0.16 -2.16 114.94 116.37 1k42 s ASN 107 Ca 0.42 -1.44 -0.19 0.00 0.42 0.00 0.00 52.86 52.08 1k42 s ASN 107 Cb -0.01 -0.09 -0.04 0.00 -1.45 0.00 0.00 41.25 39.65 1k42 s ASN 107 CO 0.25 -0.60 1.76 1.56 -3.72 0.00 0.00 177.10 176.35 1k42 h GLN 108 N 1.83 0.23 -0.77 0.43 4.20 -1.85 -0.89 115.11 118.29 1k42 h GLN 108 Ca -0.42 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.27 1k42 h GLN 108 Cb 1.25 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1k42 h GLN 108 CO 0.74 0.15 0.00 0.43 -0.67 0.00 0.00 178.83 179.49 1k42 n SER 109 N -4.99 1.57 0.00 1.46 7.64 -1.26 -4.79 113.62 113.25 1k42 n SER 109 Ca -0.02 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1k42 n SER 109 Cb 0.06 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 1k42 n SER 109 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1k42 n PHE 110 N 0.06 0.00 -2.22 1.43 3.72 -0.34 -4.99 117.46 115.11 1k42 n PHE 110 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.02 1k42 n PHE 110 Cb 0.35 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.86 1k42 n PHE 110 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1k42 s GLN 111 N -0.06 4.23 -0.09 -1.08 -1.52 -1.26 -4.48 119.66 115.41 1k42 s GLN 111 Ca 0.00 1.94 -0.03 0.00 -1.95 0.00 0.00 55.36 55.32 1k42 s GLN 111 Cb 0.00 -3.77 -0.03 0.00 -0.22 0.00 0.00 33.01 28.99 1k42 s GLN 111 CO 0.00 -0.70 0.02 -2.00 -0.25 0.00 0.00 175.29 172.35 1k42 s GLU 112 N 3.29 3.07 -0.03 2.91 2.12 -1.26 0.39 118.70 129.17 1k42 s GLU 112 Ca 0.64 -0.38 -0.05 0.00 0.36 0.00 0.00 54.97 55.54 1k42 s GLU 112 Cb -0.29 -2.85 -0.02 0.00 0.26 0.00 0.00 34.13 31.24 1k42 s GLU 112 CO 0.24 0.69 -0.10 0.66 -0.54 0.00 0.00 175.26 176.21 1k42 n TYR 113 N 2.19 0.00 -3.45 5.30 4.01 -1.13 -4.92 117.16 119.17 1k42 n TYR 113 Ca -0.19 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.32 1k42 n TYR 113 Cb 0.54 -0.14 0.03 0.00 -0.31 0.00 0.00 39.34 39.46 1k42 n TYR 113 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1k42 s GLY 114 N -3.71 2.04 0.00 2.72 0.00 -1.26 -4.96 107.32 102.15 1k42 s GLY 114 Ca -0.08 -1.71 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1k42 s GLY 114 CO 0.12 -1.82 0.00 -0.96 0.00 0.00 0.00 173.10 170.44 1k42 n ARG 115 N -2.04 0.00 -3.17 2.90 1.85 -1.26 -2.72 116.66 112.21 1k42 n ARG 115 Ca 0.08 0.00 -0.23 0.00 -1.00 0.00 0.00 57.85 56.69 1k42 n ARG 115 Cb 0.63 0.00 -0.07 0.00 -1.05 0.00 0.00 32.46 31.98 1k42 n ARG 115 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 1k42 n LEU 116 N 0.00 0.04 -4.88 2.89 -0.00 -0.85 -4.98 117.00 109.22 1k42 n LEU 116 Ca 0.00 -4.63 -0.31 0.00 -0.00 0.00 0.00 56.01 51.07 1k42 n LEU 116 Cb 0.00 0.65 -0.04 0.00 -0.00 0.00 0.00 43.42 44.03 1k42 n LEU 116 CO 0.00 2.07 0.30 -1.38 -0.00 0.00 0.00 177.39 178.38 1k42 s HIS 117 N -1.10 3.45 -0.01 1.47 -3.43 -1.26 -3.03 115.29 111.37 1k42 s HIS 117 Ca 0.35 0.90 -0.00 0.00 -0.80 0.00 0.00 55.06 55.51 1k42 s HIS 117 Cb 0.17 -2.30 0.00 0.00 -1.43 0.00 0.00 32.58 29.02 1k42 s HIS 117 CO -0.12 0.11 0.01 -1.91 -2.00 0.00 0.00 174.74 170.84 1k42 n GLU 118 N -0.73 -0.03 -4.16 -0.38 2.13 -1.06 -4.93 120.64 111.49 1k42 n GLU 118 Ca 0.01 0.52 -0.19 0.00 0.66 0.00 0.00 57.16 58.15 1k42 n GLU 118 Cb 0.53 -1.57 -0.16 0.00 0.27 0.00 0.00 31.44 30.51 1k42 n GLU 118 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1k42 s GLN 119 N -2.46 0.78 0.64 5.31 -1.52 -1.03 -4.98 119.66 116.41 1k42 s GLN 119 Ca 0.00 -0.10 -0.17 0.00 -1.95 0.00 0.00 55.36 53.15 1k42 s GLN 119 Cb -0.00 -0.79 -0.01 0.00 -0.22 0.00 0.00 33.01 31.99 1k42 s GLN 119 CO 0.01 -0.07 1.17 -0.65 -0.25 0.00 0.00 175.29 175.50 1k42 s GLN 120 N 0.86 2.74 -0.02 2.91 1.11 -1.26 -2.96 119.66 123.04 1k42 s GLN 120 Ca -0.11 1.65 0.01 0.00 0.01 0.00 0.00 55.36 56.92 1k42 s GLN 120 Cb -0.14 -1.92 0.01 0.00 -1.01 0.00 0.00 33.01 29.95 1k42 s GLN 120 CO 0.00 -1.35 -0.04 0.42 0.01 0.00 0.00 175.29 174.33 1k42 s ILE 121 N -1.95 0.38 0.77 1.08 -1.09 0.14 -4.93 121.20 115.61 1k42 s ILE 121 Ca 0.73 -0.14 -0.06 0.00 -2.23 0.00 0.00 60.65 58.94 1k42 s ILE 121 Cb -0.26 -0.37 0.16 0.00 -1.58 0.00 0.00 42.46 40.41 1k42 s ILE 121 CO 0.38 0.14 1.05 0.35 -1.23 0.00 0.00 174.94 175.63 1k42 n THR 122 N 3.39 0.00 1.65 2.92 -2.24 -1.26 -2.74 114.28 115.99 1k42 n THR 122 Ca -0.18 -1.24 0.12 0.00 -2.27 0.00 0.00 64.05 60.48 1k42 n THR 122 Cb 0.55 -1.18 0.69 0.00 -2.10 0.00 0.00 70.33 68.30 1k42 n THR 122 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1k42 n THR 123 N -3.14 0.00 -3.48 4.28 -2.24 -1.26 -2.92 114.28 105.53 1k42 n THR 123 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 1k42 n THR 123 Cb 0.54 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1k42 n THR 123 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k42 n GLU 124 N -0.94 1.79 -3.36 -0.78 1.02 -1.26 -4.36 120.64 112.75 1k42 n GLU 124 Ca 0.17 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.93 1k42 n GLU 124 Cb 0.08 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.42 1k42 n GLU 124 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1k42 s TRP 125 N 0.00 3.33 -0.23 -0.32 0.52 -1.25 -3.55 118.94 117.44 1k42 s TRP 125 Ca 0.00 0.58 -0.07 0.00 0.02 0.00 0.00 56.10 56.64 1k42 s TRP 125 Cb 0.00 -2.57 -0.03 0.00 -1.15 0.00 0.00 33.47 29.72 1k42 s TRP 125 CO 0.00 -0.10 0.05 -0.65 0.02 0.00 0.00 176.95 176.27 1k42 s GLN 126 N 1.63 3.64 -0.62 4.98 -1.52 -0.47 -4.84 119.66 122.46 1k42 s GLN 126 Ca 0.19 -0.49 -0.28 0.00 -1.95 0.00 0.00 55.36 52.83 1k42 s GLN 126 Cb -0.15 -3.25 0.03 0.00 -0.22 0.00 0.00 33.01 29.42 1k42 s GLN 126 CO 0.09 -0.13 1.22 -1.25 -0.25 0.00 0.00 175.29 174.96 1k42 s PRO 127 N 1.43 3.43 -0.10 2.91 0.04 -1.26 -2.91 135.00 138.54 1k42 s PRO 127 Ca 0.05 0.12 0.03 0.00 0.04 0.00 0.00 61.00 61.24 1k42 s PRO 127 Cb -0.15 -4.06 -0.01 0.00 0.04 0.00 0.00 34.50 30.32 1k42 s PRO 127 CO 0.03 -1.81 -0.19 -0.06 0.04 0.00 0.00 177.00 175.01 1k42 s PHE 128 N 5.16 2.66 0.34 0.56 0.08 -0.59 -4.94 117.98 121.25 1k42 s PHE 128 Ca 0.41 -0.75 -0.08 0.00 0.12 0.00 0.00 56.93 56.63 1k42 s PHE 128 Cb -0.08 -1.74 0.01 0.00 -0.57 0.00 0.00 43.02 40.65 1k42 s PHE 128 CO 0.23 -0.25 0.56 -0.08 -0.10 0.00 0.00 175.22 175.58 1k42 s THR 129 N 0.17 0.00 0.30 0.64 -1.32 -1.26 -1.08 115.64 113.09 1k42 s THR 129 Ca -0.11 -1.41 -0.19 0.00 -1.21 0.00 0.00 61.69 58.78 1k42 s THR 129 Cb -0.16 -2.62 0.06 0.00 -1.51 0.00 0.00 72.50 68.27 1k42 s THR 129 CO 0.06 0.00 0.89 0.72 -2.21 0.00 0.00 174.62 174.08 1k42 s PHE 130 N -3.03 0.08 -0.01 9.09 -0.71 -0.96 -4.98 117.98 117.45 1k42 s PHE 130 Ca 0.25 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.54 1k42 s PHE 130 Cb -0.02 0.78 -0.01 0.00 -1.21 0.00 0.00 43.02 42.56 1k42 s PHE 130 CO 0.16 -1.29 -0.12 -1.21 -1.34 0.00 0.00 175.22 171.42 1k42 s GLU 131 N -2.35 1.05 0.22 1.99 2.02 -1.26 -2.02 118.70 118.35 1k42 s GLU 131 Ca 0.18 -0.43 -0.12 0.00 0.02 0.00 0.00 54.97 54.61 1k42 s GLU 131 Cb -0.04 -1.00 -0.00 0.00 0.10 0.00 0.00 34.13 33.19 1k42 s GLU 131 CO 0.09 0.24 0.43 -0.06 0.02 0.00 0.00 175.26 175.97 1k42 s PHE 132 N -0.18 0.32 0.05 1.61 0.08 -0.93 -4.95 117.98 113.98 1k42 s PHE 132 Ca 0.03 -0.68 0.06 0.00 0.12 0.00 0.00 56.93 56.46 1k42 s PHE 132 Cb -0.06 0.14 -0.03 0.00 -0.57 0.00 0.00 43.02 42.51 1k42 s PHE 132 CO -0.00 -0.91 -0.17 0.99 -0.10 0.00 0.00 175.22 175.03 1k42 s THR 133 N -3.99 1.36 -0.48 0.64 2.01 -1.26 -1.54 115.64 112.38 1k42 s THR 133 Ca 0.20 -1.17 -0.43 0.00 0.31 0.00 0.00 61.69 60.60 1k42 s THR 133 Cb 0.00 -1.22 -0.18 0.00 0.01 0.00 0.00 72.50 71.11 1k42 s THR 133 CO 0.05 0.03 2.12 0.52 -0.69 0.00 0.00 174.62 176.66 1k42 n VAL 134 N 1.70 0.02 -0.14 3.82 0.31 -1.26 -4.76 118.33 118.02 1k42 n VAL 134 Ca -0.18 -0.03 -0.04 0.00 -0.01 0.00 0.00 64.34 64.07 1k42 n VAL 134 Cb 0.54 -0.63 0.04 0.00 -0.91 0.00 0.00 33.84 32.88 1k42 n VAL 134 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1k42 h SER 135 N 9.22 0.18 0.00 4.52 0.02 -1.97 -3.43 113.55 122.09 1k42 h SER 135 Ca -0.13 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1k42 h SER 135 Cb 1.41 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1k42 h SER 135 CO 1.08 0.14 0.00 0.47 -1.14 0.00 0.00 176.83 177.37 1k42 n ASP 136 N -5.00 0.00 -2.73 3.07 9.92 -1.26 -5.05 116.55 115.50 1k42 n ASP 136 Ca 0.03 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.21 1k42 n ASP 136 Cb 0.16 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 40.74 1k42 n ASP 136 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k42 n GLN 137 N 0.00 1.07 -3.29 -1.24 6.02 -1.26 -4.86 117.38 113.81 1k42 n GLN 137 Ca 0.00 -1.92 -0.42 0.00 -0.01 0.00 0.00 57.00 54.64 1k42 n GLN 137 Cb 0.00 -0.78 -0.08 0.00 1.02 0.00 0.00 30.24 30.39 1k42 n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1k42 s GLU 138 N 0.21 3.26 0.17 -1.09 0.41 -1.26 -4.89 118.70 115.51 1k42 s GLU 138 Ca 0.22 -0.57 0.26 0.00 -0.41 0.00 0.00 54.97 54.47 1k42 s GLU 138 Cb 0.32 -3.92 0.90 0.00 -1.78 0.00 0.00 34.13 29.65 1k42 s GLU 138 CO -0.06 -0.80 1.80 0.25 -0.49 0.00 0.00 175.26 175.96 1k42 n THR 139 N 5.46 0.50 -4.34 3.63 -2.24 -1.26 -4.53 114.28 111.50 1k42 n THR 139 Ca -0.06 -0.20 -0.22 0.00 -2.27 0.00 0.00 64.05 61.30 1k42 n THR 139 Cb 0.48 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 67.94 1k42 n THR 139 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1k42 s VAL 140 N -3.09 0.77 0.24 2.28 1.01 -1.26 -2.07 120.40 118.29 1k42 s VAL 140 Ca 0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.78 1k42 s VAL 140 Cb 0.13 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.75 1k42 s VAL 140 CO 0.57 0.27 0.28 0.27 0.00 0.00 0.00 175.10 176.50 1k42 s ILE 141 N 0.73 0.00 -0.10 2.22 -5.25 -1.13 -4.24 121.20 113.43 1k42 s ILE 141 Ca -0.12 -1.78 -0.06 0.00 -0.99 0.00 0.00 60.65 57.70 1k42 s ILE 141 Cb -0.14 -2.43 0.04 0.00 2.95 0.00 0.00 42.46 42.88 1k42 s ILE 141 CO 0.02 0.00 0.24 0.00 -1.79 0.00 0.00 174.94 173.41 1k42 s ARG 142 N -3.93 0.22 -0.42 0.37 1.70 -0.92 -1.52 118.95 114.44 1k42 s ARG 142 Ca 0.33 0.49 -0.20 0.00 -0.47 0.00 0.00 55.73 55.89 1k42 s ARG 142 Cb 0.04 -0.08 0.02 0.00 -0.57 0.00 0.00 34.95 34.36 1k42 s ARG 142 CO 0.13 -0.14 0.57 0.00 -1.08 0.00 0.00 175.30 174.79 1k42 s ALA 143 N 1.05 3.38 -0.42 7.88 0.00 -0.99 -0.99 121.76 131.67 1k42 s ALA 143 Ca -0.08 -1.27 -0.29 0.00 0.00 0.00 0.00 51.96 50.32 1k42 s ALA 143 Cb -0.09 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.84 1k42 s ALA 143 CO -0.07 -1.67 1.27 -1.25 0.00 0.00 0.00 175.76 174.03 1k42 s PRO 144 N 2.59 3.71 -0.27 0.00 0.04 -0.71 -1.69 135.00 138.67 1k42 s PRO 144 Ca 0.19 0.83 -0.13 0.00 0.04 0.00 0.00 61.00 61.93 1k42 s PRO 144 Cb -0.15 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.40 1k42 s PRO 144 CO 0.17 -1.40 0.28 0.42 0.04 0.00 0.00 177.00 176.51 1k42 s ILE 145 N 4.80 5.25 0.50 0.56 1.01 0.36 -2.86 121.20 130.81 1k42 s ILE 145 Ca 0.54 0.38 -0.07 0.00 0.00 0.00 0.00 60.65 61.50 1k42 s ILE 145 Cb -0.11 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1k42 s ILE 145 CO 0.30 0.22 0.83 -1.00 0.00 0.00 0.00 174.94 175.29 1k42 s HIS 146 N 1.81 3.56 0.12 3.97 3.76 0.50 -1.42 115.29 127.59 1k42 s HIS 146 Ca 0.11 0.93 -0.21 0.00 -0.15 0.00 0.00 55.06 55.74 1k42 s HIS 146 Cb -0.16 -2.39 0.06 0.00 1.11 0.00 0.00 32.58 31.20 1k42 s HIS 146 CO 0.10 -0.33 0.53 -0.06 -0.85 0.00 0.00 174.74 174.13 1k42 s PHE 147 N -2.78 -0.43 0.00 1.40 0.40 0.21 -2.98 117.98 113.80 1k42 s PHE 147 Ca 0.49 0.28 0.00 0.00 -0.60 0.00 0.00 56.93 57.10 1k42 s PHE 147 Cb -0.10 0.43 0.00 0.00 0.51 0.00 0.00 43.02 43.85 1k42 s PHE 147 CO 0.45 -0.76 0.00 0.41 0.70 0.00 0.00 175.22 176.02 1k42 n GLY 148 N -0.11 0.75 3.34 4.36 0.00 -1.26 -0.92 105.19 111.35 1k42 n GLY 148 Ca -0.17 -0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1k42 n GLY 148 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k42 s TYR 149 N -0.49 1.77 0.38 1.61 2.02 -1.26 -4.55 117.35 116.83 1k42 s TYR 149 Ca 0.00 -0.52 0.14 0.00 -0.37 0.00 0.00 57.07 56.32 1k42 s TYR 149 Cb 0.00 -0.84 0.80 0.00 -0.40 0.00 0.00 41.96 41.52 1k42 s TYR 149 CO 0.00 0.37 1.86 0.00 -1.57 0.00 0.00 175.55 176.20 1k42 h ALA 150 N 2.81 1.40 0.00 3.71 0.00 -1.97 -0.97 119.26 124.24 1k42 h ALA 150 Ca -0.40 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1k42 h ALA 150 Cb 1.22 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1k42 h ALA 150 CO 0.58 0.41 0.00 0.00 0.00 0.00 0.00 179.25 180.24 1k42 n ALA 151 N -2.45 1.74 -0.26 0.00 0.00 -1.26 -1.75 120.51 116.52 1k42 n ALA 151 Ca -0.02 -0.06 0.02 0.00 0.00 0.00 0.00 53.44 53.39 1k42 n ALA 151 Cb 0.38 -1.26 0.03 0.00 0.00 0.00 0.00 19.45 18.60 1k42 n ALA 151 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1k42 n ASN 152 N -1.48 2.01 -4.89 0.00 5.15 -0.45 -2.45 115.26 113.16 1k42 n ASN 152 Ca 0.04 -2.21 -0.29 0.00 -0.60 0.00 0.00 54.58 51.52 1k42 n ASN 152 Cb 0.18 -0.09 0.02 0.00 -0.53 0.00 0.00 39.78 39.36 1k42 n ASN 152 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1k42 s VAL 153 N -1.37 4.34 -1.45 3.44 1.01 -0.72 -3.93 120.40 121.73 1k42 s VAL 153 Ca 0.07 0.48 -0.11 0.00 0.00 0.00 0.00 61.98 62.42 1k42 s VAL 153 Cb 0.06 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.79 1k42 s VAL 153 CO 0.01 -0.86 0.72 0.61 0.00 0.00 0.00 175.10 175.58 1k42 n GLY 154 N -2.65 -0.50 3.63 4.51 0.00 -0.87 -4.93 105.19 104.39 1k42 n GLY 154 Ca 0.05 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.08 1k42 n GLY 154 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1k42 s ASN 155 N -2.97 -0.77 -0.22 1.61 -0.87 -1.04 -4.98 114.94 105.70 1k42 s ASN 155 Ca 0.51 1.44 -0.23 0.00 -1.57 0.00 0.00 52.86 53.00 1k42 s ASN 155 Cb -0.26 1.44 -0.01 0.00 -0.02 0.00 0.00 41.25 42.40 1k42 s ASN 155 CO 0.62 -0.24 0.77 -0.89 -2.57 0.00 0.00 177.10 174.79 1k42 s THR 156 N 0.58 4.90 -0.30 1.60 2.01 -1.26 -2.70 115.64 120.47 1k42 s THR 156 Ca -0.02 1.45 -0.11 0.00 0.31 0.00 0.00 61.69 63.33 1k42 s THR 156 Cb -0.05 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 1k42 s THR 156 CO -0.03 -0.01 0.18 -0.63 -0.69 0.00 0.00 174.62 173.45 1k42 s ILE 157 N 2.52 5.00 -0.09 1.82 1.01 0.11 -1.44 121.20 130.12 1k42 s ILE 157 Ca 0.33 -0.16 -0.13 0.00 0.00 0.00 0.00 60.65 60.70 1k42 s ILE 157 Cb -0.16 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.78 1k42 s ILE 157 CO 0.09 0.12 0.30 -0.31 0.00 0.00 0.00 174.94 175.14 1k42 s TYR 158 N 1.69 3.59 -0.02 3.97 1.51 -0.14 -1.30 117.35 126.64 1k42 s TYR 158 Ca 0.06 0.72 0.04 0.00 -1.01 0.00 0.00 57.07 56.88 1k42 s TYR 158 Cb -0.17 -2.24 -0.01 0.00 -0.11 0.00 0.00 41.96 39.44 1k42 s TYR 158 CO 0.09 0.49 -0.14 0.42 -1.11 0.00 0.00 175.55 175.30 1k42 s ILE 159 N -0.40 1.11 -0.29 2.71 1.01 -0.86 -1.64 121.20 122.83 1k42 s ILE 159 Ca 0.19 -0.57 -0.22 0.00 0.00 0.00 0.00 60.65 60.06 1k42 s ILE 159 Cb -0.14 -0.94 0.17 0.00 0.01 0.00 0.00 42.46 41.55 1k42 s ILE 159 CO 0.07 0.32 1.21 -0.62 0.00 0.00 0.00 174.94 175.93 1k42 s ASP 160 N -0.09 -0.24 0.00 3.58 2.15 -0.71 -1.76 116.67 119.60 1k42 s ASP 160 Ca 0.01 0.44 0.00 0.00 0.43 0.00 0.00 52.55 53.42 1k42 s ASP 160 Cb -0.08 0.69 0.00 0.00 -0.30 0.00 0.00 42.92 43.23 1k42 s ASP 160 CO 0.00 -0.07 0.00 0.61 -0.17 0.00 0.00 175.17 175.54 1k42 n GLY 161 N 2.43 1.17 3.59 2.66 0.00 -1.26 -1.49 105.19 112.29 1k42 n GLY 161 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.45 1k42 n GLY 161 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1k42 n LEU 162 N 0.00 3.23 -3.94 0.99 7.94 -1.20 -3.54 117.00 120.48 1k42 n LEU 162 Ca 0.00 0.21 -0.11 0.00 -1.11 0.00 0.00 56.01 55.01 1k42 n LEU 162 Cb 0.00 -1.55 -0.12 0.00 0.53 0.00 0.00 43.42 42.28 1k42 n LEU 162 CO 0.00 -0.68 -0.36 0.00 -1.11 0.00 0.00 177.39 175.23 1k42 s ALA 163 N 8.27 0.11 -0.24 1.96 0.00 -0.24 -4.05 121.76 127.57 1k42 s ALA 163 Ca 1.01 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.62 1k42 s ALA 163 Cb -0.35 0.07 0.06 0.00 0.00 0.00 0.00 23.12 22.90 1k42 s ALA 163 CO 0.36 -0.08 -0.03 0.42 0.00 0.00 0.00 175.76 176.43 1k42 s ILE 164 N -0.83 1.40 0.06 0.00 1.09 -1.26 -2.42 121.20 119.25 1k42 s ILE 164 Ca -0.09 -1.20 0.07 0.00 -1.10 0.00 0.00 60.65 58.33 1k42 s ILE 164 Cb -0.06 -1.73 -0.03 0.00 -1.06 0.00 0.00 42.46 39.58 1k42 s ILE 164 CO -0.00 -0.17 -0.18 0.00 -0.10 0.00 0.00 174.94 174.49 1k42 s ALA 165 N 1.44 1.55 0.23 9.38 0.00 -1.11 -0.79 121.76 132.46 1k42 s ALA 165 Ca -0.04 -1.04 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 1k42 s ALA 165 Cb -0.19 -0.25 -0.09 0.00 0.00 0.00 0.00 23.12 22.60 1k42 s ALA 165 CO -0.08 0.31 1.06 0.45 0.00 0.00 0.00 175.76 177.51 1k42 s SER 166 N -1.41 7.36 0.09 0.00 0.15 -1.26 -1.56 113.70 117.07 1k42 s SER 166 Ca 0.05 2.12 0.02 0.00 0.70 0.00 0.00 55.95 58.84 1k42 s SER 166 Cb -0.09 -2.61 -0.04 0.00 -1.71 0.00 0.00 66.02 61.57 1k42 s SER 166 CO 0.02 -0.10 -0.07 0.00 1.20 0.00 0.00 173.24 174.30 1k42 s GLN 167 N -0.99 0.77 0.00 5.44 -2.07 -0.76 -4.94 119.66 117.11 1k42 s GLN 167 Ca 0.45 -1.23 0.29 0.00 -1.82 0.00 0.00 55.36 53.05 1k42 s GLN 167 Cb -0.29 -0.20 1.72 0.00 -1.09 0.00 0.00 33.01 33.15 1k42 s GLN 167 CO 0.37 -0.01 2.06 -0.35 -1.32 0.00 0.00 175.29 176.03