#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 4.25 0.47 -0.89 1.43 -1.26 -5.02 118.68 117.66 1k42 s LEU 2 Ca 0.00 1.79 0.07 0.00 -1.03 0.00 0.00 54.13 54.96 1k42 s LEU 2 Cb 0.00 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.67 1k42 s LEU 2 CO 0.00 -0.64 0.39 0.54 0.23 0.00 0.00 176.35 176.88 1k42 s VAL 3 N 2.56 2.27 -0.02 -1.59 0.11 -1.26 -5.02 120.40 117.45 1k42 s VAL 3 Ca 0.56 -1.40 -0.20 0.00 -2.93 0.00 0.00 61.98 58.00 1k42 s VAL 3 Cb -0.24 -2.67 -0.12 0.00 -1.53 0.00 0.00 36.38 31.81 1k42 s VAL 3 CO 0.20 0.00 0.86 0.00 -3.33 0.00 0.00 175.10 172.83 1k42 h ALA 4 N 0.92 -0.52 -2.04 1.54 0.00 -1.08 -3.42 119.26 114.67 1k42 h ALA 4 Ca -0.39 -0.17 -0.57 0.00 0.00 0.00 0.00 54.91 53.78 1k42 h ALA 4 Cb 1.28 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 1k42 h ALA 4 CO 0.57 -0.54 0.95 1.21 0.00 0.00 0.00 179.25 181.45 1k42 s ASN 5 N -4.99 6.77 -0.09 0.00 2.47 -1.14 -2.33 114.94 115.63 1k42 s ASN 5 Ca -0.11 1.42 -0.04 0.00 0.42 0.00 0.00 52.86 54.55 1k42 s ASN 5 Cb 0.01 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.24 1k42 s ASN 5 CO 0.37 -0.96 0.07 -0.63 -3.72 0.00 0.00 177.10 172.23 1k42 s ILE 6 N 4.07 4.83 -1.85 -5.21 1.09 -1.25 -4.26 121.20 118.61 1k42 s ILE 6 Ca 0.56 -0.10 0.00 0.00 -1.10 0.00 0.00 60.65 60.01 1k42 s ILE 6 Cb -0.19 -3.09 0.00 0.00 -1.06 0.00 0.00 42.46 38.12 1k42 s ILE 6 CO 0.20 0.57 0.00 0.59 -0.10 0.00 0.00 174.94 176.20 1k42 n ASN 7 N 1.92 -5.33 0.25 3.58 4.13 -1.26 -3.95 115.26 114.61 1k42 n ASN 7 Ca -0.18 0.43 0.08 0.00 1.68 0.00 0.00 54.58 56.59 1k42 n ASN 7 Cb 0.54 -4.36 0.61 0.00 -1.54 0.00 0.00 39.78 35.03 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1k42 h GLY 8 N 0.00 0.00 -3.10 7.41 0.00 -1.74 -0.92 103.07 104.72 1k42 h GLY 8 Ca -0.36 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.58 1k42 h GLY 8 CO 0.52 0.00 0.21 0.61 0.00 0.00 0.00 176.54 177.88 1k42 n GLY 9 N -1.30 5.09 4.05 4.60 0.00 -1.26 -3.61 105.19 112.76 1k42 n GLY 9 Ca -0.03 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.06 -1.50 0.07 1.61 3.01 -0.35 -4.40 117.46 114.84 1k42 n PHE 10 Ca 0.47 0.46 -0.19 0.00 1.01 0.00 0.00 57.45 59.20 1k42 n PHE 10 Cb 1.16 -3.13 -0.14 0.00 -0.01 0.00 0.00 39.48 37.36 1k42 n PHE 10 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1k42 h GLU 11 N -2.08 0.30 0.00 -1.08 4.39 -1.85 -3.34 114.58 110.93 1k42 h GLU 11 Ca -0.67 -0.51 -0.15 0.00 0.34 0.00 0.00 59.36 58.37 1k42 h GLU 11 Cb 1.39 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 30.21 1k42 h GLU 11 CO 0.59 1.18 -0.95 0.77 -1.16 0.00 0.00 179.01 179.45 1k42 h SER 12 N 0.08 0.00 -3.36 1.42 0.02 -1.90 -3.44 113.55 106.37 1k42 h SER 12 Ca -0.26 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.12 1k42 h SER 12 Cb 2.04 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 64.52 1k42 h SER 12 CO 0.17 0.62 0.90 -0.89 -1.14 0.00 0.00 176.83 176.50 1k42 s THR 13 N -2.89 4.33 0.31 -2.27 2.01 -1.25 -5.00 115.64 110.87 1k42 s THR 13 Ca 0.01 1.48 -0.27 0.00 0.31 0.00 0.00 61.69 63.21 1k42 s THR 13 Cb 0.08 -4.39 -0.09 0.00 0.01 0.00 0.00 72.50 68.11 1k42 s THR 13 CO 0.78 -0.62 1.00 -2.16 -0.69 0.00 0.00 174.62 172.93 1k42 s PRO 14 N 4.01 4.58 1.00 4.92 0.04 -1.26 -4.89 135.00 143.40 1k42 s PRO 14 Ca 0.49 1.51 -0.19 0.00 0.04 0.00 0.00 61.00 62.85 1k42 s PRO 14 Cb -0.12 -2.95 -0.16 0.00 0.04 0.00 0.00 34.50 31.31 1k42 s PRO 14 CO 0.22 0.24 -0.91 0.00 0.04 0.00 0.00 177.00 176.59 1k42 n ALA 15 N 0.80 -5.54 0.00 8.56 0.00 -1.26 -4.83 120.51 118.24 1k42 n ALA 15 Ca 0.01 -0.79 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1k42 n ALA 15 Cb 0.48 -1.10 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 3.48 4.31 3.72 0.00 0.00 -1.18 -4.91 105.19 110.61 1k42 n GLY 16 Ca -0.02 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.44 1.69 -2.99 1.61 3.14 -1.26 -2.78 118.33 117.30 1k42 n VAL 17 Ca 0.00 -0.42 -0.37 0.00 -2.96 0.00 0.00 64.34 60.59 1k42 n VAL 17 Cb 0.00 -1.69 -0.06 0.00 -1.06 0.00 0.00 33.84 31.02 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 -0.78 4.43 -0.12 1.55 1.01 -0.32 -4.90 120.40 121.27 1k42 s VAL 18 Ca 0.58 1.51 0.17 0.00 0.00 0.00 0.00 61.98 64.25 1k42 s VAL 18 Cb -0.55 -3.95 -0.22 0.00 0.00 0.00 0.00 36.38 31.66 1k42 s VAL 18 CO 0.59 0.24 0.50 0.35 0.00 0.00 0.00 175.10 176.78 1k42 n THR 19 N 0.82 1.15 -3.53 3.92 -2.24 -1.26 -4.78 114.28 108.37 1k42 n THR 19 Ca -0.02 -0.74 -0.27 0.00 -2.27 0.00 0.00 64.05 60.76 1k42 n THR 19 Cb 0.50 -0.59 -0.14 0.00 -2.10 0.00 0.00 70.33 68.00 1k42 n THR 19 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k42 s ASP 20 N -5.55 3.04 0.55 3.42 -1.08 -1.26 -4.99 116.67 110.80 1k42 s ASP 20 Ca -0.06 -1.09 0.42 0.00 -0.52 0.00 0.00 52.55 51.30 1k42 s ASP 20 Cb 0.08 -0.19 1.63 0.00 -1.46 0.00 0.00 42.92 42.98 1k42 s ASP 20 CO 0.83 -0.42 1.71 0.17 0.52 0.00 0.00 175.17 177.98 1k42 h LEU 21 N 8.39 0.01 0.33 -1.34 -0.00 -1.91 0.30 115.31 121.09 1k42 h LEU 21 Ca -0.18 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.68 1k42 h LEU 21 Cb 1.04 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.71 1k42 h LEU 21 CO 0.40 -0.00 -0.16 0.00 -0.00 0.00 0.00 178.44 178.68 1k42 h ALA 22 N 1.25 -0.45 -0.90 0.17 0.00 -1.95 -2.71 119.26 114.66 1k42 h ALA 22 Ca 0.72 -0.10 -0.49 0.00 0.00 0.00 0.00 54.91 55.03 1k42 h ALA 22 Cb 2.89 0.17 -0.28 0.00 0.00 0.00 0.00 17.79 20.57 1k42 h ALA 22 CO -0.02 -0.74 0.56 -0.85 0.00 0.00 0.00 179.25 178.20 1k42 n GLU 23 N -5.28 2.27 0.10 0.00 0.28 0.87 -4.26 120.64 114.62 1k42 n GLU 23 Ca -0.10 -3.09 -0.11 0.00 -0.16 0.00 0.00 57.16 53.69 1k42 n GLU 23 Cb 0.20 -2.15 -0.07 0.00 1.43 0.00 0.00 31.44 30.85 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 1.15 -0.32 -4.47 -1.84 0.00 -0.76 -3.46 103.07 93.38 1k42 h GLY 24 Ca 0.57 0.12 -0.66 0.00 0.00 0.00 0.00 47.33 47.36 1k42 h GLY 24 CO 1.07 -0.12 -0.87 0.14 0.00 0.00 0.00 176.54 176.76 1k42 s VAL 25 N -3.74 1.96 0.00 4.60 1.01 -1.10 -4.97 120.40 118.15 1k42 s VAL 25 Ca -0.13 -1.23 -0.24 0.00 0.00 0.00 0.00 61.98 60.38 1k42 s VAL 25 Cb 0.01 -1.66 -0.16 0.00 0.00 0.00 0.00 36.38 34.57 1k42 s VAL 25 CO 0.47 0.38 1.14 -0.08 0.00 0.00 0.00 175.10 177.01 1k42 h GLU 26 N 5.04 -0.50 0.00 2.72 4.81 -1.91 -2.89 114.58 121.86 1k42 h GLU 26 Ca -0.44 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1k42 h GLU 26 Cb 1.14 0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1k42 h GLU 26 CO 0.45 -0.18 0.00 0.41 -0.73 0.00 0.00 179.01 178.96 1k42 n GLY 27 N -0.26 -0.86 2.74 1.92 0.00 -1.25 -4.61 105.19 102.87 1k42 n GLY 27 Ca -0.10 -0.16 -0.21 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.00 0.39 -0.17 1.61 0.52 -1.09 -1.38 118.94 116.83 1k42 s TRP 28 Ca 0.38 0.02 0.01 0.00 0.02 0.00 0.00 56.10 56.52 1k42 s TRP 28 Cb 0.17 -0.62 0.03 0.00 -1.15 0.00 0.00 33.47 31.89 1k42 s TRP 28 CO 0.29 -0.25 -0.15 -0.51 0.02 0.00 0.00 176.95 176.36 1k42 s ASP 29 N 1.89 2.93 0.54 2.95 1.11 -0.01 -2.70 116.67 123.39 1k42 s ASP 29 Ca 0.03 -0.61 0.06 0.00 0.18 0.00 0.00 52.55 52.21 1k42 s ASP 29 Cb -0.12 -1.26 0.06 0.00 1.07 0.00 0.00 42.92 42.67 1k42 s ASP 29 CO -0.04 -0.06 0.75 -0.76 1.18 0.00 0.00 175.17 176.24 1k42 s LEU 30 N 1.42 3.29 -0.29 1.23 1.43 -1.05 -2.02 118.68 122.69 1k42 s LEU 30 Ca 0.04 -0.52 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1k42 s LEU 30 Cb -0.14 -2.19 0.12 0.00 0.03 0.00 0.00 46.19 44.02 1k42 s LEU 30 CO -0.11 -1.21 0.67 0.20 0.23 0.00 0.00 176.35 176.14 1k42 s ASN 31 N -4.54 -1.07 -0.11 2.29 -0.87 -0.42 -3.89 114.94 106.33 1k42 s ASN 31 Ca 0.60 1.53 -0.01 0.00 -1.57 0.00 0.00 52.86 53.41 1k42 s ASN 31 Cb -0.08 2.02 -0.03 0.00 -0.02 0.00 0.00 41.25 43.15 1k42 s ASN 31 CO 0.38 -0.22 -0.07 0.68 -2.57 0.00 0.00 177.10 175.29 1k42 s VAL 32 N 2.52 3.63 0.55 1.60 -7.23 -1.26 -2.63 120.40 117.57 1k42 s VAL 32 Ca -0.07 -0.48 0.06 0.00 -1.81 0.00 0.00 61.98 59.69 1k42 s VAL 32 Cb -0.10 -2.53 0.05 0.00 0.56 0.00 0.00 36.38 34.37 1k42 s VAL 32 CO -0.19 0.55 0.49 -0.83 -0.31 0.00 0.00 175.10 174.81 1k42 s GLY 33 N -0.23 2.22 0.39 2.32 0.00 -1.16 -4.96 107.32 105.90 1k42 s GLY 33 Ca 0.03 -1.48 0.24 0.00 0.00 0.00 0.00 44.72 43.51 1k42 s GLY 33 CO 0.03 -1.88 1.73 0.23 0.00 0.00 0.00 173.10 173.21 1k42 h SER 34 N 0.62 0.00 -0.76 1.64 0.87 -1.93 -1.41 113.55 112.58 1k42 h SER 34 Ca -0.35 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1k42 h SER 34 Cb 1.30 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 63.22 1k42 h SER 34 CO 0.53 0.00 0.45 0.77 -0.53 0.00 0.00 176.83 178.05 1k42 h SER 35 N 0.00 0.93 -0.32 6.23 4.64 -1.89 -3.37 113.55 119.76 1k42 h SER 35 Ca 0.00 -0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1k42 h SER 35 Cb 0.11 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 61.97 1k42 h SER 35 CO 0.00 0.72 0.01 0.52 -0.87 0.00 0.00 176.83 177.21 1k42 n VAL 36 N -4.37 0.00 0.24 0.95 0.31 -0.53 -3.65 118.33 111.28 1k42 n VAL 36 Ca 0.08 -0.47 0.08 0.00 -0.01 0.00 0.00 64.34 64.02 1k42 n VAL 36 Cb 0.07 -1.99 0.59 0.00 -0.91 0.00 0.00 33.84 31.61 1k42 n VAL 36 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 1k42 h THR 37 N 7.64 0.99 -3.33 2.52 2.02 -1.74 -3.40 112.91 117.61 1k42 h THR 37 Ca 0.00 -0.43 -0.62 0.00 0.77 0.00 0.00 66.41 66.12 1k42 h THR 37 Cb 1.00 1.24 -0.33 0.00 -1.74 0.00 0.00 68.15 68.32 1k42 h THR 37 CO 1.00 0.12 -0.86 0.21 0.37 0.00 0.00 175.52 176.37 1k42 s ASN 38 N -6.84 2.67 -0.26 4.18 3.84 -1.19 -5.05 114.94 112.29 1k42 s ASN 38 Ca -0.04 -0.48 -0.29 0.00 0.21 0.00 0.00 52.86 52.26 1k42 s ASN 38 Cb 0.16 -1.22 -0.00 0.00 -0.55 0.00 0.00 41.25 39.63 1k42 s ASN 38 CO 0.67 0.10 1.28 -2.16 -2.79 0.00 0.00 177.10 174.20 1k42 s PRO 39 N 0.56 4.01 0.67 0.43 0.04 -1.26 -4.80 135.00 134.65 1k42 s PRO 39 Ca -0.15 1.36 -0.11 0.00 0.04 0.00 0.00 61.00 62.14 1k42 s PRO 39 Cb -0.17 -3.84 0.16 0.00 0.04 0.00 0.00 34.50 30.69 1k42 s PRO 39 CO 0.05 -0.99 0.81 -0.35 0.04 0.00 0.00 177.00 176.56 1k42 n PRO 40 N 7.09 -1.22 -3.94 0.56 -0.04 -1.26 -4.92 135.00 131.26 1k42 n PRO 40 Ca 0.14 -1.26 -0.35 0.00 -0.04 0.00 0.00 63.50 61.99 1k42 n PRO 40 Cb 0.46 -0.92 -0.14 0.00 -0.04 0.00 0.00 33.50 32.86 1k42 n PRO 40 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k42 s VAL 41 N -2.71 3.16 -0.37 0.52 1.01 -1.08 -4.85 120.40 116.07 1k42 s VAL 41 Ca 0.47 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.73 1k42 s VAL 41 Cb -0.02 -2.44 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1k42 s VAL 41 CO 0.34 0.42 0.25 -0.36 0.00 0.00 0.00 175.10 175.76 1k42 s PHE 42 N 1.44 3.23 0.11 5.22 0.08 -1.26 -2.31 117.98 124.49 1k42 s PHE 42 Ca 0.05 -0.51 -0.17 0.00 0.12 0.00 0.00 56.93 56.42 1k42 s PHE 42 Cb -0.14 -2.51 0.04 0.00 -0.57 0.00 0.00 43.02 39.84 1k42 s PHE 42 CO -0.05 -0.51 0.42 -2.00 -0.10 0.00 0.00 175.22 172.99 1k42 s GLU 43 N 1.67 1.05 0.04 0.44 2.12 -1.10 -1.17 118.70 121.75 1k42 s GLU 43 Ca 0.05 -0.61 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 1k42 s GLU 43 Cb -0.18 0.47 -0.04 0.00 0.26 0.00 0.00 34.13 34.63 1k42 s GLU 43 CO 0.09 -0.41 0.22 0.08 -0.54 0.00 0.00 175.26 174.70 1k42 s VAL 44 N -3.50 5.38 -0.14 3.70 1.01 -1.12 -0.34 120.40 125.40 1k42 s VAL 44 Ca 0.01 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1k42 s VAL 44 Cb 0.01 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.82 1k42 s VAL 44 CO -0.10 0.22 -0.16 -0.76 0.00 0.00 0.00 175.10 174.29 1k42 s LEU 45 N -2.26 1.82 -0.42 3.92 2.01 -0.48 -3.09 118.68 120.19 1k42 s LEU 45 Ca 0.32 -0.51 -0.16 0.00 0.01 0.00 0.00 54.13 53.79 1k42 s LEU 45 Cb -0.13 -1.24 0.02 0.00 0.01 0.00 0.00 46.19 44.85 1k42 s LEU 45 CO 0.24 -0.01 0.37 -1.61 1.01 0.00 0.00 176.35 176.35 1k42 s GLU 46 N 1.23 3.03 0.27 1.70 2.02 -1.26 -2.39 118.70 123.31 1k42 s GLU 46 Ca 0.00 -0.88 0.04 0.00 0.02 0.00 0.00 54.97 54.15 1k42 s GLU 46 Cb -0.14 -3.97 -0.01 0.00 0.10 0.00 0.00 34.13 30.10 1k42 s GLU 46 CO -0.07 -0.80 0.28 0.25 0.02 0.00 0.00 175.26 174.93 1k42 n THR 47 N 5.30 0.00 0.77 3.63 -2.24 -1.06 -5.02 114.28 115.67 1k42 n THR 47 Ca -0.09 -1.82 0.08 0.00 -2.27 0.00 0.00 64.05 59.95 1k42 n THR 47 Cb 0.47 0.96 -0.01 0.00 -2.10 0.00 0.00 70.33 69.65 1k42 n THR 47 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1k42 n SER 48 N -1.87 1.61 0.09 3.42 7.64 -1.26 -4.26 113.62 118.99 1k42 n SER 48 Ca 0.05 -1.31 0.12 0.00 1.01 0.00 0.00 58.87 58.74 1k42 n SER 48 Cb 0.49 0.52 0.16 0.00 -1.01 0.00 0.00 64.21 64.37 1k42 n SER 48 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1k42 h ASP 49 N 1.73 0.00 -2.44 6.43 5.19 -1.96 -3.47 116.42 121.90 1k42 h ASP 49 Ca 0.00 -0.12 -0.59 0.00 -0.62 0.00 0.00 57.03 55.70 1k42 h ASP 49 Cb 0.57 0.00 0.17 0.00 0.18 0.00 0.00 39.33 40.25 1k42 h ASP 49 CO 0.00 0.06 -0.77 0.00 -3.12 0.00 0.00 179.24 175.41 1k42 n ALA 50 N -1.93 -2.13 0.09 3.45 0.00 -1.26 -4.88 120.51 113.85 1k42 n ALA 50 Ca 0.03 -0.02 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 1k42 n ALA 50 Cb 0.47 -1.61 -0.12 0.00 0.00 0.00 0.00 19.45 18.19 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 0.15 0.57 -4.99 0.00 0.13 -1.91 -3.44 132.00 122.51 1k42 h PRO 51 Ca -0.43 -0.76 -0.65 0.00 -0.87 0.00 0.00 66.00 63.29 1k42 h PRO 51 Cb 1.43 0.25 -0.35 0.00 0.13 0.00 0.00 31.00 32.46 1k42 h PRO 51 CO 0.45 1.34 -0.85 -2.00 -0.23 0.00 0.00 178.00 176.70 1k42 s GLU 52 N -2.96 2.81 7.97 0.86 2.56 -1.26 -5.01 118.70 123.66 1k42 s GLU 52 Ca -0.08 -0.76 0.00 0.00 0.00 0.00 0.00 54.97 54.12 1k42 s GLU 52 Cb 0.06 -2.41 0.00 0.00 2.00 0.00 0.00 34.13 33.78 1k42 s GLU 52 CO 0.92 -0.17 0.00 0.41 -0.56 0.00 0.00 175.26 175.86 1k42 n GLY 53 N 4.52 3.91 1.78 -1.50 0.00 -1.26 -3.85 105.19 108.79 1k42 n GLY 53 Ca -0.20 0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 8.71 -0.98 -3.89 1.61 4.13 -1.26 -4.72 115.26 118.85 1k42 n ASN 54 Ca 0.00 -2.09 -0.11 0.00 1.68 0.00 0.00 54.58 54.06 1k42 n ASN 54 Cb 0.00 0.40 -0.13 0.00 -1.54 0.00 0.00 39.78 38.50 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1k42 s LYS 55 N -0.11 0.08 0.30 3.52 1.02 -1.25 -2.55 119.74 120.75 1k42 s LYS 55 Ca 0.07 -0.12 -0.07 0.00 0.02 0.00 0.00 55.97 55.87 1k42 s LYS 55 Cb 0.22 0.03 -0.00 0.00 -0.52 0.00 0.00 37.83 37.55 1k42 s LYS 55 CO -0.06 -0.01 0.46 0.14 -0.92 0.00 0.00 175.35 174.96 1k42 s VAL 56 N -0.31 0.00 -0.50 3.17 -7.23 -1.01 -4.41 120.40 110.11 1k42 s VAL 56 Ca -0.03 -1.54 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 1k42 s VAL 56 Cb -0.02 -2.49 0.13 0.00 0.56 0.00 0.00 36.38 34.55 1k42 s VAL 56 CO -0.00 0.00 0.39 -0.22 -0.31 0.00 0.00 175.10 174.96 1k42 s LEU 57 N -3.15 5.82 -0.26 1.32 2.96 -0.67 -1.38 118.68 123.33 1k42 s LEU 57 Ca 0.28 -1.95 -0.28 0.00 -0.22 0.00 0.00 54.13 51.96 1k42 s LEU 57 Cb -0.00 -2.05 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1k42 s LEU 57 CO 0.15 -0.71 1.01 0.00 -1.32 0.00 0.00 176.35 175.48 1k42 s ALA 58 N 1.33 3.63 0.01 5.97 0.00 0.54 -2.03 121.76 131.21 1k42 s ALA 58 Ca 0.06 0.04 0.04 0.00 0.00 0.00 0.00 51.96 52.11 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 -0.00 -1.15 -0.11 0.08 0.00 0.00 0.00 175.76 174.57 1k42 s VAL 59 N 3.25 3.33 -0.68 0.00 1.01 -0.27 -2.71 120.40 124.33 1k42 s VAL 59 Ca 0.42 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 1k42 s VAL 59 Cb -0.14 -2.42 0.18 0.00 0.00 0.00 0.00 36.38 33.99 1k42 s VAL 59 CO 0.09 0.39 0.52 -0.89 0.00 0.00 0.00 175.10 175.21 1k42 s THR 60 N -0.95 4.22 -0.16 3.92 2.01 -0.98 -0.18 115.64 123.52 1k42 s THR 60 Ca 0.16 -2.82 -0.22 0.00 0.31 0.00 0.00 61.69 59.13 1k42 s THR 60 Cb -0.11 -3.70 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1k42 s THR 60 CO 0.06 -0.92 0.65 -0.69 -0.69 0.00 0.00 174.62 173.04 1k42 s VAL 61 N 0.01 5.03 -0.46 3.82 1.01 -1.09 -2.65 120.40 126.07 1k42 s VAL 61 Ca 0.17 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.48 1k42 s VAL 61 Cb -0.18 -3.97 0.31 0.00 0.00 0.00 0.00 36.38 32.54 1k42 s VAL 61 CO -0.05 0.15 1.08 -0.46 0.00 0.00 0.00 175.10 175.82 1k42 n ASN 62 N 4.66 -2.29 0.00 3.32 0.23 -1.26 -2.24 115.26 117.67 1k42 n ASN 62 Ca -0.01 -3.64 0.00 0.00 -0.53 0.00 0.00 54.58 50.40 1k42 n ASN 62 Cb 0.50 1.83 0.00 0.00 -2.08 0.00 0.00 39.78 40.03 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 0.51 1.13 3.95 4.83 0.00 -1.26 -4.85 105.19 109.50 1k42 n GLY 63 Ca 0.07 0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.90 1k42 n GLY 63 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1k42 s VAL 64 N 0.00 2.02 0.00 1.61 -7.23 -1.26 -3.16 120.40 112.38 1k42 s VAL 64 Ca 0.00 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.01 1k42 s VAL 64 Cb 0.00 -2.86 0.00 0.00 0.56 0.00 0.00 36.38 34.08 1k42 s VAL 64 CO 0.00 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.40 1k42 n GLY 65 N -3.55 4.97 0.00 2.32 0.00 -1.24 -4.13 105.19 103.56 1k42 n GLY 65 Ca 0.16 -1.92 0.11 0.00 0.00 0.00 0.00 46.02 44.36 1k42 n GLY 65 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1k42 n ASN 66 N 0.00 0.80 -4.67 1.61 3.02 -1.26 -4.91 115.26 109.85 1k42 n ASN 66 Ca 0.00 -0.70 -0.29 0.00 -0.03 0.00 0.00 54.58 53.56 1k42 n ASN 66 Cb 0.00 0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 39.81 1k42 n ASN 66 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1k42 s ASN 67 N -3.02 4.89 0.00 6.41 -0.87 -1.26 -4.99 114.94 116.09 1k42 s ASN 67 Ca 0.09 -0.26 0.00 0.00 -1.57 0.00 0.00 52.86 51.12 1k42 s ASN 67 Cb 0.17 -1.11 0.00 0.00 -0.02 0.00 0.00 41.25 40.29 1k42 s ASN 67 CO 0.80 0.15 0.80 -0.81 -2.57 0.00 0.00 177.10 175.48 1k42 n PRO 68 N 0.36 0.92 -2.78 -0.60 -0.04 -1.26 -3.83 135.00 127.77 1k42 n PRO 68 Ca -0.11 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.18 1k42 n PRO 68 Cb 0.53 -1.12 0.00 0.00 -0.04 0.00 0.00 33.50 32.87 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 -0.36 1.81 -0.00 0.54 2.14 -1.26 -4.79 117.44 115.51 1k42 n TRP 69 Ca 0.00 -3.26 -0.00 0.00 2.07 0.00 0.00 57.50 56.31 1k42 n TRP 69 Cb 0.06 -0.34 -0.00 0.00 -0.81 0.00 0.00 31.31 30.22 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 2.90 0.00 -3.49 -0.67 5.19 -1.66 -3.41 116.42 115.28 1k42 h ASP 70 Ca 0.07 0.00 -0.61 0.00 -0.62 0.00 0.00 57.03 55.87 1k42 h ASP 70 Cb 0.99 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 40.37 1k42 h ASP 70 CO 0.62 0.04 -0.42 -0.63 -3.12 0.00 0.00 179.24 175.73 1k42 s ILE 71 N -1.05 5.33 -0.01 0.35 1.01 -0.56 -3.00 121.20 123.27 1k42 s ILE 71 Ca -0.00 0.33 0.04 0.00 0.00 0.00 0.00 60.65 61.01 1k42 s ILE 71 Cb 0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.91 1k42 s ILE 71 CO 0.00 0.34 -0.14 -0.70 0.00 0.00 0.00 174.94 174.45 1k42 s GLU 72 N 0.95 1.16 0.02 2.79 2.12 -1.08 0.13 118.70 124.79 1k42 s GLU 72 Ca 0.11 -0.49 0.08 0.00 0.36 0.00 0.00 54.97 55.03 1k42 s GLU 72 Cb -0.13 -1.11 -0.02 0.00 0.26 0.00 0.00 34.13 33.13 1k42 s GLU 72 CO 0.04 0.28 -0.23 0.00 -0.54 0.00 0.00 175.26 174.81 1k42 s ALA 73 N -0.25 1.96 0.10 6.30 0.00 -0.31 -1.30 121.76 128.25 1k42 s ALA 73 Ca 0.04 -1.10 -0.05 0.00 0.00 0.00 0.00 51.96 50.85 1k42 s ALA 73 Cb -0.06 -0.43 -0.02 0.00 0.00 0.00 0.00 23.12 22.61 1k42 s ALA 73 CO -0.00 0.46 0.13 0.99 0.00 0.00 0.00 175.76 177.33 1k42 s THR 74 N -0.71 0.14 -0.04 0.00 2.01 -0.86 0.27 115.64 116.44 1k42 s THR 74 Ca 0.09 -1.53 0.05 0.00 0.31 0.00 0.00 61.69 60.61 1k42 s THR 74 Cb -0.09 -1.64 -0.01 0.00 0.01 0.00 0.00 72.50 70.77 1k42 s THR 74 CO 0.01 -0.63 -0.20 0.00 -0.69 0.00 0.00 174.62 173.11 1k42 s ALA 75 N -3.94 1.74 0.00 7.40 0.00 -1.06 -0.83 121.76 125.07 1k42 s ALA 75 Ca 0.12 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1k42 s ALA 75 Cb 0.06 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1k42 s ALA 75 CO -0.06 0.34 0.00 1.97 0.00 0.00 0.00 175.76 178.02 1k42 n PHE 76 N 2.98 0.00 -1.99 0.00 1.16 -0.48 -2.59 117.46 116.54 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 0.53 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 2.40 0.11 3.97 0.04 -1.26 -4.18 135.00 134.07 1k42 s PRO 77 Ca 0.00 0.16 0.09 0.00 0.04 0.00 0.00 61.00 61.29 1k42 s PRO 77 Cb 0.00 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 1k42 s PRO 77 CO 0.00 -1.26 -0.22 0.08 0.04 0.00 0.00 177.00 175.64 1k42 s VAL 78 N -3.39 1.82 -0.29 -0.36 1.01 -0.75 -3.96 120.40 114.48 1k42 s VAL 78 Ca 0.60 -1.59 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1k42 s VAL 78 Cb -0.11 -1.65 0.06 0.00 0.00 0.00 0.00 36.38 34.68 1k42 s VAL 78 CO 0.49 -0.03 -0.04 0.20 0.00 0.00 0.00 175.10 175.72 1k42 s ASN 79 N -1.94 4.71 0.21 3.32 0.01 -0.98 -2.82 114.94 117.44 1k42 s ASN 79 Ca 0.08 -1.42 0.01 0.00 -0.71 0.00 0.00 52.86 50.82 1k42 s ASN 79 Cb -0.10 -1.64 0.01 0.00 0.41 0.00 0.00 41.25 39.93 1k42 s ASN 79 CO 0.05 -0.25 0.09 1.33 -1.51 0.00 0.00 177.10 176.81 1k42 n VAL 80 N 4.51 0.00 -4.06 1.60 0.24 -0.73 -4.13 118.33 115.75 1k42 n VAL 80 Ca -0.12 -0.91 -0.13 0.00 -2.04 0.00 0.00 64.34 61.14 1k42 n VAL 80 Cb 0.43 -0.09 -0.13 0.00 -1.47 0.00 0.00 33.84 32.58 1k42 n VAL 80 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1k42 s ARG 81 N -2.82 0.39 -0.41 7.34 1.81 -1.26 -4.71 118.95 119.29 1k42 s ARG 81 Ca 0.07 -0.42 -0.29 0.00 -1.72 0.00 0.00 55.73 53.37 1k42 s ARG 81 Cb -0.01 -0.25 0.01 0.00 -0.45 0.00 0.00 34.95 34.26 1k42 s ARG 81 CO 0.04 0.06 1.29 -1.25 -0.68 0.00 0.00 175.30 174.76 1k42 s PRO 82 N -0.79 3.70 0.00 3.54 0.04 -1.26 -3.14 135.00 137.09 1k42 s PRO 82 Ca -0.05 0.88 0.00 0.00 0.04 0.00 0.00 61.00 61.87 1k42 s PRO 82 Cb -0.06 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.53 1k42 s PRO 82 CO -0.00 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.05 1k42 n GLY 83 N 4.82 1.93 3.84 0.56 0.00 -1.26 -5.06 105.19 110.02 1k42 n GLY 83 Ca 0.15 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.95 4.62 -0.04 1.61 1.01 -1.19 -4.98 120.40 119.49 1k42 s VAL 84 Ca 0.00 1.06 -0.16 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 32.70 1k42 s VAL 84 CO 0.00 -0.19 0.43 0.28 0.00 0.00 0.00 175.10 175.62 1k42 s THR 85 N -1.99 5.07 0.11 3.92 -1.32 -1.26 -4.14 115.64 116.03 1k42 s THR 85 Ca 0.55 0.88 0.10 0.00 -1.21 0.00 0.00 61.69 62.01 1k42 s THR 85 Cb -0.10 -3.75 -0.04 0.00 -1.51 0.00 0.00 72.50 67.10 1k42 s THR 85 CO 0.17 0.49 -0.25 -0.31 -2.21 0.00 0.00 174.62 172.51 1k42 s TYR 86 N -0.48 2.35 0.14 9.09 1.51 -0.62 -2.73 117.35 126.61 1k42 s TYR 86 Ca 0.24 -0.37 0.08 0.00 -1.01 0.00 0.00 57.07 56.02 1k42 s TYR 86 Cb -0.16 -1.29 -0.04 0.00 -0.11 0.00 0.00 41.96 40.36 1k42 s TYR 86 CO 0.12 0.31 -0.10 0.99 -1.11 0.00 0.00 175.55 175.76 1k42 s THR 87 N -1.03 3.25 -0.17 -0.71 2.01 -0.55 -2.09 115.64 116.35 1k42 s THR 87 Ca 0.14 -1.45 -0.00 0.00 0.31 0.00 0.00 61.69 60.69 1k42 s THR 87 Cb -0.10 -2.56 0.04 0.00 0.01 0.00 0.00 72.50 69.90 1k42 s THR 87 CO 0.06 0.02 -0.05 -0.31 -0.69 0.00 0.00 174.62 173.65 1k42 s TYR 88 N -1.40 1.77 0.12 4.92 1.51 -0.70 -2.61 117.35 120.94 1k42 s TYR 88 Ca 0.22 -1.16 0.10 0.00 -1.01 0.00 0.00 57.07 55.23 1k42 s TYR 88 Cb -0.10 -1.34 -0.04 0.00 -0.11 0.00 0.00 41.96 40.37 1k42 s TYR 88 CO 0.14 -0.64 -0.24 0.99 -1.11 0.00 0.00 175.55 174.69 1k42 s THR 89 N 1.61 2.42 0.16 -0.71 2.01 -0.94 -2.02 115.64 118.17 1k42 s THR 89 Ca -0.00 -1.64 -0.12 0.00 0.31 0.00 0.00 61.69 60.24 1k42 s THR 89 Cb -0.16 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.29 1k42 s THR 89 CO -0.08 0.13 0.36 -0.51 -0.69 0.00 0.00 174.62 173.83 1k42 s ILE 90 N -1.05 0.07 -0.07 1.82 2.07 -0.06 -1.12 121.20 122.86 1k42 s ILE 90 Ca 0.15 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.34 1k42 s ILE 90 Cb -0.10 -1.59 0.02 0.00 0.13 0.00 0.00 42.46 40.92 1k42 s ILE 90 CO 0.07 -0.30 -0.06 0.26 -1.91 0.00 0.00 174.94 173.00 1k42 s TRP 91 N -3.90 1.05 0.08 3.50 0.52 -0.43 -1.51 118.94 118.25 1k42 s TRP 91 Ca 0.11 -0.39 0.08 0.00 0.02 0.00 0.00 56.10 55.92 1k42 s TRP 91 Cb 0.02 -0.90 -0.04 0.00 -1.15 0.00 0.00 33.47 31.40 1k42 s TRP 91 CO -0.04 -0.31 -0.16 0.00 0.02 0.00 0.00 176.95 176.46 1k42 s ALA 92 N 1.22 2.70 -0.30 0.98 0.00 -1.13 -1.58 121.76 123.65 1k42 s ALA 92 Ca -0.05 -1.27 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 1k42 s ALA 92 Cb -0.14 -0.73 0.14 0.00 0.00 0.00 0.00 23.12 22.39 1k42 s ALA 92 CO -0.02 0.59 0.66 0.50 0.00 0.00 0.00 175.76 177.50 1k42 s ARG 93 N -1.89 0.56 0.08 0.00 3.52 -0.67 -1.27 118.95 119.28 1k42 s ARG 93 Ca 0.17 1.32 0.02 0.00 -0.13 0.00 0.00 55.73 57.12 1k42 s ARG 93 Cb -0.11 0.79 -0.04 0.00 -1.56 0.00 0.00 34.95 34.03 1k42 s ARG 93 CO 0.09 -0.27 0.11 0.00 -0.81 0.00 0.00 175.30 174.41 1k42 s ALA 94 N 2.87 3.65 0.32 6.12 0.00 -1.04 -0.96 121.76 132.72 1k42 s ALA 94 Ca -0.01 -0.98 0.06 0.00 0.00 0.00 0.00 51.96 51.03 1k42 s ALA 94 Cb -0.12 -1.51 0.74 0.00 0.00 0.00 0.00 23.12 22.22 1k42 s ALA 94 CO -0.19 0.76 1.82 0.93 0.00 0.00 0.00 175.76 179.07 1k42 h GLU 95 N 3.24 0.76 -6.27 0.00 5.08 -1.40 -3.37 114.58 112.62 1k42 h GLU 95 Ca -0.46 -0.05 -0.69 0.00 -1.00 0.00 0.00 59.36 57.16 1k42 h GLU 95 Cb 1.16 -0.17 -0.30 0.00 0.50 0.00 0.00 28.75 29.94 1k42 h GLU 95 CO 0.68 0.50 -0.88 -0.65 -1.00 0.00 0.00 179.01 177.66 1k42 s GLN 96 N -5.81 2.37 0.55 2.33 1.11 -1.26 -4.87 119.66 114.09 1k42 s GLN 96 Ca -0.11 -0.90 -0.21 0.00 0.01 0.00 0.00 55.36 54.15 1k42 s GLN 96 Cb 0.23 -2.13 -0.05 0.00 -1.01 0.00 0.00 33.01 30.06 1k42 s GLN 96 CO 0.80 0.47 1.28 0.16 0.01 0.00 0.00 175.29 178.01 1k42 s ASP 97 N -0.38 5.35 0.00 5.90 1.47 -1.26 -4.25 116.67 123.50 1k42 s ASP 97 Ca 0.03 2.58 0.00 0.00 1.18 0.00 0.00 52.55 56.34 1k42 s ASP 97 Cb -0.12 -2.62 0.00 0.00 -0.34 0.00 0.00 42.92 39.84 1k42 s ASP 97 CO 0.02 -1.50 0.00 0.61 0.68 0.00 0.00 175.17 174.98 1k42 n GLY 98 N 0.64 1.17 3.27 2.12 0.00 -1.11 -4.95 105.19 106.34 1k42 n GLY 98 Ca 0.11 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 1.99 0.25 4.61 0.00 -1.18 -4.54 121.76 120.88 1k42 s ALA 99 Ca 0.00 -1.03 0.11 0.00 0.00 0.00 0.00 51.96 51.03 1k42 s ALA 99 Cb 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 23.12 22.57 1k42 s ALA 99 CO 0.00 0.49 -0.12 0.08 0.00 0.00 0.00 175.76 176.20 1k42 s VAL 100 N -0.57 2.90 0.17 0.00 1.01 -1.06 0.28 120.40 123.14 1k42 s VAL 100 Ca 0.09 -2.07 -0.17 0.00 0.00 0.00 0.00 61.98 59.84 1k42 s VAL 100 Cb -0.09 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1k42 s VAL 100 CO -0.01 -0.30 0.47 -0.69 0.00 0.00 0.00 175.10 174.57 1k42 s VAL 101 N -2.20 0.04 -0.16 2.92 1.01 -1.16 -4.51 120.40 116.34 1k42 s VAL 101 Ca 0.28 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.52 1k42 s VAL 101 Cb -0.07 -1.48 0.01 0.00 0.00 0.00 0.00 36.38 34.85 1k42 s VAL 101 CO 0.16 -0.18 -0.19 -0.55 0.00 0.00 0.00 175.10 174.34 1k42 s SER 102 N -2.86 3.30 -0.32 3.32 0.15 -1.17 -2.66 113.70 113.46 1k42 s SER 102 Ca 0.08 -0.58 0.03 0.00 0.70 0.00 0.00 55.95 56.18 1k42 s SER 102 Cb 0.00 -1.50 0.09 0.00 -1.71 0.00 0.00 66.02 62.90 1k42 s SER 102 CO -0.05 0.05 0.01 -0.36 1.20 0.00 0.00 173.24 174.09 1k42 s PHE 103 N 1.02 3.58 0.29 3.44 0.40 -1.12 -1.36 117.98 124.24 1k42 s PHE 103 Ca -0.02 -2.71 0.04 0.00 -0.60 0.00 0.00 56.93 53.64 1k42 s PHE 103 Cb -0.15 -2.62 -0.06 0.00 0.51 0.00 0.00 43.02 40.71 1k42 s PHE 103 CO -0.05 -0.92 0.02 0.95 0.70 0.00 0.00 175.22 175.92 1k42 s THR 104 N 0.99 1.18 0.14 0.64 -4.23 -1.12 -2.24 115.64 111.00 1k42 s THR 104 Ca 0.04 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.59 1k42 s THR 104 Cb -0.20 -2.60 -0.04 0.00 1.34 0.00 0.00 72.50 71.00 1k42 s THR 104 CO -0.07 -0.14 -0.15 0.68 -0.54 0.00 0.00 174.62 174.41 1k42 s VAL 105 N -3.31 1.45 -0.19 2.29 -7.23 -1.16 -1.87 120.40 110.38 1k42 s VAL 105 Ca 0.33 -1.83 -0.35 0.00 -1.81 0.00 0.00 61.98 58.32 1k42 s VAL 105 Cb 0.07 -1.67 0.14 0.00 0.56 0.00 0.00 36.38 35.48 1k42 s VAL 105 CO 0.13 -0.44 1.23 -0.83 -0.31 0.00 0.00 175.10 174.88 1k42 s GLY 106 N -2.63 -0.29 0.02 2.32 0.00 -1.05 -2.42 107.32 103.27 1k42 s GLY 106 Ca 0.12 1.56 0.00 0.00 0.00 0.00 0.00 44.72 46.40 1k42 s GLY 106 CO 0.04 0.51 0.02 1.16 0.00 0.00 0.00 173.10 174.83 1k42 n ASN 107 N -0.12 0.06 0.00 1.64 0.23 -0.92 -1.69 115.26 114.46 1k42 n ASN 107 Ca 0.00 -1.04 0.01 0.00 -0.53 0.00 0.00 54.58 53.02 1k42 n ASN 107 Cb 0.58 -0.01 0.07 0.00 -2.08 0.00 0.00 39.78 38.34 1k42 n ASN 107 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1k42 n GLN 108 N -1.04 0.59 -0.32 -3.83 6.02 -1.26 -2.45 117.38 115.10 1k42 n GLN 108 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.07 1k42 n GLN 108 Cb 0.02 -1.06 0.22 0.00 1.02 0.00 0.00 30.24 30.43 1k42 n GLN 108 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1k42 n SER 109 N -0.56 3.51 0.00 1.08 7.64 -1.26 -4.92 113.62 119.11 1k42 n SER 109 Ca 0.02 -2.35 0.00 0.00 1.01 0.00 0.00 58.87 57.54 1k42 n SER 109 Cb 0.01 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 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 0.36 0.00 -1.45 1.43 3.72 -1.02 -4.99 117.46 115.51 1k42 n PHE 110 Ca 0.17 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.26 1k42 n PHE 110 Cb 0.63 -0.48 0.08 0.00 -0.94 0.00 0.00 39.48 38.77 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 -0.36 2.45 -0.01 -1.08 1.11 -1.26 -4.85 119.66 115.66 1k42 s GLN 111 Ca 0.00 0.94 0.00 0.00 0.01 0.00 0.00 55.36 56.32 1k42 s GLN 111 Cb 0.00 -1.94 0.01 0.00 -1.01 0.00 0.00 33.01 30.08 1k42 s GLN 111 CO 0.00 -1.45 -0.00 -2.00 0.01 0.00 0.00 175.29 171.85 1k42 s GLU 112 N -5.02 0.18 0.00 2.91 2.12 -1.26 -2.18 118.70 115.46 1k42 s GLU 112 Ca 0.60 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.95 1k42 s GLU 112 Cb -0.15 -0.29 0.00 0.00 0.26 0.00 0.00 34.13 33.95 1k42 s GLU 112 CO 0.55 -0.05 0.00 0.66 -0.54 0.00 0.00 175.26 175.88 1k42 n TYR 113 N 3.61 0.00 -2.47 5.30 4.01 -1.02 -4.92 117.16 121.67 1k42 n TYR 113 Ca -0.20 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.28 1k42 n TYR 113 Cb 0.55 -0.11 0.03 0.00 -0.31 0.00 0.00 39.34 39.50 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 -2.46 1.63 -0.30 2.72 0.00 -1.26 -4.96 107.32 102.68 1k42 s GLY 114 Ca 0.00 -0.83 -0.02 0.00 0.00 0.00 0.00 44.72 43.87 1k42 s GLY 114 CO 0.00 -0.54 0.63 -1.60 0.00 0.00 0.00 173.10 171.59 1k42 s ARG 115 N -4.95 0.54 -0.41 2.90 3.52 -1.26 -2.99 118.95 116.31 1k42 s ARG 115 Ca 0.54 0.99 0.08 0.00 -0.13 0.00 0.00 55.73 57.20 1k42 s ARG 115 Cb -0.10 0.55 0.25 0.00 -1.56 0.00 0.00 34.95 34.08 1k42 s ARG 115 CO 0.44 -0.57 0.61 1.47 -0.81 0.00 0.00 175.30 176.44 1k42 n LEU 116 N 5.43 -0.59 -4.89 -0.88 -0.00 -0.95 -5.03 117.00 110.09 1k42 n LEU 116 Ca -0.02 -4.35 -0.24 0.00 -0.00 0.00 0.00 56.01 51.41 1k42 n LEU 116 Cb 0.51 0.69 -0.04 0.00 -0.00 0.00 0.00 43.42 44.59 1k42 n LEU 116 CO 0.02 2.05 -0.12 -1.38 -0.00 0.00 0.00 177.39 177.96 1k42 s HIS 117 N -0.72 3.31 -0.13 1.47 -3.43 -1.26 -2.77 115.29 111.76 1k42 s HIS 117 Ca 0.34 -0.01 -0.01 0.00 -0.80 0.00 0.00 55.06 54.59 1k42 s HIS 117 Cb 0.19 -1.54 0.00 0.00 -1.43 0.00 0.00 32.58 29.80 1k42 s HIS 117 CO -0.14 0.50 0.11 -1.91 -2.00 0.00 0.00 174.74 171.29 1k42 n GLU 118 N -0.92 -0.75 -4.51 -0.38 4.07 -1.09 -4.94 120.64 112.13 1k42 n GLU 118 Ca -0.08 0.08 -0.34 0.00 -0.06 0.00 0.00 57.16 56.76 1k42 n GLU 118 Cb 0.56 -2.84 -0.11 0.00 -0.06 0.00 0.00 31.44 28.99 1k42 n GLU 118 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 1k42 s GLN 119 N -4.70 3.10 0.62 5.31 -0.21 -1.17 -4.96 119.66 117.65 1k42 s GLN 119 Ca 0.03 -0.51 -0.15 0.00 0.02 0.00 0.00 55.36 54.76 1k42 s GLN 119 Cb -0.01 -2.73 -0.02 0.00 1.00 0.00 0.00 33.01 31.24 1k42 s GLN 119 CO 0.07 0.53 1.06 -0.65 -2.12 0.00 0.00 175.29 174.19 1k42 s GLN 120 N -0.44 3.16 -0.02 2.91 -1.52 -1.26 -2.97 119.66 119.52 1k42 s GLN 120 Ca 0.07 1.17 0.02 0.00 -1.95 0.00 0.00 55.36 54.67 1k42 s GLN 120 Cb -0.12 -2.01 0.01 0.00 -0.22 0.00 0.00 33.01 30.66 1k42 s GLN 120 CO 0.02 -0.93 -0.06 0.42 -0.25 0.00 0.00 175.29 174.49 1k42 s ILE 121 N -2.57 0.56 0.77 1.08 -1.09 0.14 -4.94 121.20 115.15 1k42 s ILE 121 Ca 0.63 -0.24 -0.06 0.00 -2.23 0.00 0.00 60.65 58.75 1k42 s ILE 121 Cb -0.16 -0.52 0.16 0.00 -1.58 0.00 0.00 42.46 40.37 1k42 s ILE 121 CO 0.41 0.19 1.05 0.35 -1.23 0.00 0.00 174.94 175.71 1k42 n THR 122 N 3.36 0.00 1.47 2.92 -2.24 -1.26 -2.74 114.28 115.79 1k42 n THR 122 Ca -0.18 -1.25 0.12 0.00 -2.27 0.00 0.00 64.05 60.47 1k42 n THR 122 Cb 0.55 -1.17 0.71 0.00 -2.10 0.00 0.00 70.33 68.32 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 -3.13 0.03 -3.44 4.28 -2.24 -1.26 -2.48 114.28 106.04 1k42 n THR 123 Ca 0.15 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1k42 n THR 123 Cb 0.55 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 -1.03 1.76 -3.39 -0.78 1.02 -1.26 -4.40 120.64 112.56 1k42 n GLU 124 Ca 0.17 0.00 -0.38 0.00 -0.02 0.00 0.00 57.16 56.93 1k42 n GLU 124 Cb 0.09 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 31.44 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 0.07 3.36 -0.24 -0.32 0.52 -1.24 -3.50 118.94 117.60 1k42 s TRP 125 Ca 0.00 0.60 -0.07 0.00 0.02 0.00 0.00 56.10 56.66 1k42 s TRP 125 Cb 0.00 -2.53 -0.03 0.00 -1.15 0.00 0.00 33.47 29.76 1k42 s TRP 125 CO 0.00 -0.03 0.05 -1.14 0.02 0.00 0.00 176.95 175.85 1k42 s GLN 126 N 1.37 3.64 -0.72 4.98 0.74 -0.39 -4.82 119.66 124.45 1k42 s GLN 126 Ca 0.19 -0.49 -0.27 0.00 0.05 0.00 0.00 55.36 54.84 1k42 s GLN 126 Cb -0.15 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.74 1k42 s GLN 126 CO 0.08 -0.14 1.27 -1.25 -0.55 0.00 0.00 175.29 174.70 1k42 s PRO 127 N 1.45 3.22 -0.11 1.67 0.04 -1.26 -2.86 135.00 137.15 1k42 s PRO 127 Ca 0.05 -0.20 -0.00 0.00 0.04 0.00 0.00 61.00 60.89 1k42 s PRO 127 Cb -0.15 -4.17 -0.02 0.00 0.04 0.00 0.00 34.50 30.20 1k42 s PRO 127 CO 0.03 -2.10 -0.09 -0.06 0.04 0.00 0.00 177.00 174.81 1k42 s PHE 128 N 5.65 2.89 0.33 0.56 0.08 -0.57 -4.92 117.98 122.01 1k42 s PHE 128 Ca 0.36 -0.30 -0.07 0.00 0.12 0.00 0.00 56.93 57.03 1k42 s PHE 128 Cb -0.08 -1.81 0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1k42 s PHE 128 CO 0.16 0.04 0.54 -0.08 -0.10 0.00 0.00 175.22 175.77 1k42 s THR 129 N -0.10 0.00 0.09 0.64 -1.32 -1.26 -0.88 115.64 112.81 1k42 s THR 129 Ca 0.00 -1.44 -0.26 0.00 -1.21 0.00 0.00 61.69 58.77 1k42 s THR 129 Cb -0.13 -2.60 0.08 0.00 -1.51 0.00 0.00 72.50 68.34 1k42 s THR 129 CO 0.03 0.00 0.93 0.72 -2.21 0.00 0.00 174.62 174.09 1k42 s PHE 130 N -3.10 -0.22 -0.03 9.09 -0.71 -0.86 -4.98 117.98 117.16 1k42 s PHE 130 Ca 0.26 -0.01 0.07 0.00 -1.04 0.00 0.00 56.93 56.20 1k42 s PHE 130 Cb -0.01 0.60 -0.02 0.00 -1.21 0.00 0.00 43.02 42.37 1k42 s PHE 130 CO 0.16 -0.71 -0.24 -1.21 -1.34 0.00 0.00 175.22 171.88 1k42 s GLU 131 N -3.23 2.29 0.09 1.99 2.02 -1.26 -1.73 118.70 118.88 1k42 s GLU 131 Ca 0.09 -0.88 -0.19 0.00 0.02 0.00 0.00 54.97 54.02 1k42 s GLU 131 Cb -0.01 -2.13 0.04 0.00 0.10 0.00 0.00 34.13 32.13 1k42 s GLU 131 CO -0.03 0.53 0.45 0.12 0.02 0.00 0.00 175.26 176.35 1k42 s PHE 132 N -0.53 -0.30 0.09 1.61 2.19 -0.89 -4.94 117.98 115.22 1k42 s PHE 132 Ca 0.07 0.13 0.10 0.00 0.33 0.00 0.00 56.93 57.56 1k42 s PHE 132 Cb -0.11 0.30 -0.03 0.00 -1.31 0.00 0.00 43.02 41.86 1k42 s PHE 132 CO 0.00 -0.68 -0.25 -0.08 1.83 0.00 0.00 175.22 176.04 1k42 s THR 133 N -3.22 2.10 -0.48 0.12 -1.32 -1.26 -1.58 115.64 109.99 1k42 s THR 133 Ca -0.01 -1.56 -0.43 0.00 -1.21 0.00 0.00 61.69 58.48 1k42 s THR 133 Cb 0.00 -1.84 -0.18 0.00 -1.51 0.00 0.00 72.50 68.98 1k42 s THR 133 CO -0.08 0.17 2.14 0.52 -2.21 0.00 0.00 174.62 175.17 1k42 n VAL 134 N 1.30 0.02 0.06 5.08 0.31 -1.26 -4.78 118.33 119.07 1k42 n VAL 134 Ca -0.18 -0.03 -0.12 0.00 -0.01 0.00 0.00 64.34 64.00 1k42 n VAL 134 Cb 0.53 -0.65 -0.07 0.00 -0.91 0.00 0.00 33.84 32.74 1k42 n VAL 134 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1k42 h SER 135 N 9.42 -0.10 0.00 4.52 0.87 -1.96 -3.43 113.55 122.87 1k42 h SER 135 Ca -0.12 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1k42 h SER 135 Cb 1.41 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.41 1k42 h SER 135 CO 1.08 -0.06 0.00 0.47 -0.53 0.00 0.00 176.83 177.79 1k42 n ASP 136 N -5.14 0.00 -2.70 6.23 9.92 -1.26 -5.04 116.55 118.55 1k42 n ASP 136 Ca -0.07 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.12 1k42 n ASP 136 Cb 0.08 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.65 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 0.93 -3.10 -1.24 10.64 -1.26 -4.89 117.38 118.46 1k42 n GLN 137 Ca 0.00 -1.65 -0.43 0.00 -1.83 0.00 0.00 57.00 53.09 1k42 n GLN 137 Cb 0.00 -0.43 -0.07 0.00 -0.86 0.00 0.00 30.24 28.89 1k42 n GLN 137 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 1k42 s GLU 138 N 0.20 3.42 0.34 2.61 0.41 -1.26 -4.88 118.70 119.53 1k42 s GLU 138 Ca 0.20 -0.22 0.25 0.00 -0.41 0.00 0.00 54.97 54.79 1k42 s GLU 138 Cb 0.31 -3.90 0.60 0.00 -1.78 0.00 0.00 34.13 29.37 1k42 s GLU 138 CO -0.08 -0.93 1.70 1.79 -0.49 0.00 0.00 175.26 177.26 1k42 h THR 139 N 5.82 0.00 -3.59 3.63 1.35 -1.93 -3.41 112.91 114.77 1k42 h THR 139 Ca -0.26 -0.73 -0.45 0.00 -0.55 0.00 0.00 66.41 64.42 1k42 h THR 139 Cb 1.10 1.72 -0.33 0.00 -1.73 0.00 0.00 68.15 68.92 1k42 h THR 139 CO 0.88 0.00 -0.79 -0.69 -0.25 0.00 0.00 175.52 174.67 1k42 s VAL 140 N -3.18 0.83 0.23 6.82 1.01 -1.26 -1.78 120.40 123.08 1k42 s VAL 140 Ca 0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.71 1k42 s VAL 140 Cb 0.09 -0.77 -0.03 0.00 0.00 0.00 0.00 36.38 35.66 1k42 s VAL 140 CO 0.62 0.28 0.23 0.27 0.00 0.00 0.00 175.10 176.51 1k42 s ILE 141 N 0.55 0.00 -0.04 2.22 -5.25 -1.13 -4.57 121.20 112.98 1k42 s ILE 141 Ca -0.09 -1.87 -0.02 0.00 -0.99 0.00 0.00 60.65 57.68 1k42 s ILE 141 Cb -0.13 -2.46 0.03 0.00 2.95 0.00 0.00 42.46 42.85 1k42 s ILE 141 CO 0.01 0.00 0.09 0.00 -1.79 0.00 0.00 174.94 173.25 1k42 s ARG 142 N -3.97 0.04 -0.41 0.37 1.70 -0.68 -1.80 118.95 114.20 1k42 s ARG 142 Ca 0.36 0.23 -0.20 0.00 -0.47 0.00 0.00 55.73 55.65 1k42 s ARG 142 Cb 0.05 -0.14 0.02 0.00 -0.57 0.00 0.00 34.95 34.30 1k42 s ARG 142 CO 0.14 -0.12 0.61 0.00 -1.08 0.00 0.00 175.30 174.85 1k42 s ALA 143 N 0.83 3.39 -0.36 7.88 0.00 -1.07 -2.51 121.76 129.91 1k42 s ALA 143 Ca -0.07 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 1k42 s ALA 143 Cb -0.09 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.80 1k42 s ALA 143 CO -0.03 -1.63 1.40 -1.25 0.00 0.00 0.00 175.76 174.25 1k42 s PRO 144 N 2.71 3.69 -0.14 0.00 0.04 -0.78 -2.58 135.00 137.93 1k42 s PRO 144 Ca 0.22 1.10 -0.08 0.00 0.04 0.00 0.00 61.00 62.28 1k42 s PRO 144 Cb -0.14 -3.99 -0.04 0.00 0.04 0.00 0.00 34.50 30.37 1k42 s PRO 144 CO 0.17 -1.42 0.13 0.42 0.04 0.00 0.00 177.00 176.35 1k42 s ILE 145 N 5.13 5.45 0.26 0.56 1.01 0.14 -2.80 121.20 130.94 1k42 s ILE 145 Ca 0.61 0.19 0.07 0.00 0.00 0.00 0.00 60.65 61.52 1k42 s ILE 145 Cb -0.16 -3.41 -0.03 0.00 0.01 0.00 0.00 42.46 38.87 1k42 s ILE 145 CO 0.29 0.56 0.21 -1.00 0.00 0.00 0.00 174.94 175.00 1k42 s HIS 146 N -0.58 3.10 0.19 3.97 3.76 -0.46 -1.16 115.29 124.10 1k42 s HIS 146 Ca 0.13 -0.12 -0.22 0.00 -0.15 0.00 0.00 55.06 54.69 1k42 s HIS 146 Cb -0.12 -1.43 0.06 0.00 1.11 0.00 0.00 32.58 32.20 1k42 s HIS 146 CO 0.02 0.49 0.62 -0.06 -0.85 0.00 0.00 174.74 174.96 1k42 s PHE 147 N -2.14 -0.45 0.00 1.40 0.08 0.34 -3.04 117.98 114.17 1k42 s PHE 147 Ca 0.33 0.18 0.00 0.00 0.12 0.00 0.00 56.93 57.57 1k42 s PHE 147 Cb -0.08 0.58 0.00 0.00 -0.57 0.00 0.00 43.02 42.95 1k42 s PHE 147 CO 0.25 -0.93 0.00 0.41 -0.10 0.00 0.00 175.22 174.85 1k42 n GLY 148 N -0.39 1.11 3.62 4.36 0.00 -1.24 -1.50 105.19 111.15 1k42 n GLY 148 Ca -0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 2.68 0.37 1.61 2.02 -1.26 -4.49 117.35 116.28 1k42 s TYR 149 Ca 0.00 -0.22 0.20 0.00 -0.37 0.00 0.00 57.07 56.68 1k42 s TYR 149 Cb 0.00 -1.23 1.06 0.00 -0.40 0.00 0.00 41.96 41.40 1k42 s TYR 149 CO 0.00 0.59 1.94 0.00 -1.57 0.00 0.00 175.55 176.51 1k42 h ALA 150 N 2.23 1.34 0.00 3.71 0.00 -1.98 -1.07 119.26 123.50 1k42 h ALA 150 Ca -0.45 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1k42 h ALA 150 Cb 1.23 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1k42 h ALA 150 CO 0.59 0.29 0.00 0.00 0.00 0.00 0.00 179.25 180.13 1k42 h ALA 151 N 1.77 1.00 -0.37 0.00 0.00 -1.93 -1.72 119.26 118.01 1k42 h ALA 151 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1k42 h ALA 151 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1k42 h ALA 151 CO 0.03 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.37 1k42 n ASN 152 N -2.32 3.23 -4.90 0.00 3.02 -0.43 -2.55 115.26 111.31 1k42 n ASN 152 Ca 0.02 -2.19 -0.28 0.00 -0.03 0.00 0.00 54.58 52.10 1k42 n ASN 152 Cb 0.25 -0.31 0.01 0.00 -0.61 0.00 0.00 39.78 39.12 1k42 n ASN 152 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1k42 s VAL 153 N -1.34 4.46 -1.24 2.41 1.01 -0.65 -3.95 120.40 121.10 1k42 s VAL 153 Ca 0.29 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.54 1k42 s VAL 153 Cb 0.17 -3.74 0.04 0.00 0.00 0.00 0.00 36.38 32.86 1k42 s VAL 153 CO 0.16 -0.81 0.36 0.61 0.00 0.00 0.00 175.10 175.42 1k42 n GLY 154 N -2.50 -0.49 3.61 4.51 0.00 -0.95 -4.92 105.19 104.45 1k42 n GLY 154 Ca 0.03 0.07 -0.14 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.52 -0.72 -0.18 1.61 -0.87 -1.06 -4.96 114.94 106.24 1k42 s ASN 155 Ca 0.27 1.29 -0.20 0.00 -1.57 0.00 0.00 52.86 52.65 1k42 s ASN 155 Cb -0.14 1.27 -0.03 0.00 -0.02 0.00 0.00 41.25 42.34 1k42 s ASN 155 CO 0.33 -0.31 0.61 -0.89 -2.57 0.00 0.00 177.10 174.27 1k42 s THR 156 N 0.09 5.05 -0.30 1.60 2.01 -1.26 -2.68 115.64 120.14 1k42 s THR 156 Ca -0.02 1.15 -0.09 0.00 0.31 0.00 0.00 61.69 63.05 1k42 s THR 156 Cb -0.04 -3.93 -0.01 0.00 0.01 0.00 0.00 72.50 68.53 1k42 s THR 156 CO 0.02 0.14 0.13 -0.63 -0.69 0.00 0.00 174.62 173.60 1k42 s ILE 157 N 1.71 4.49 -0.10 1.82 1.01 0.74 -1.05 121.20 129.81 1k42 s ILE 157 Ca 0.28 -0.40 -0.08 0.00 0.00 0.00 0.00 60.65 60.45 1k42 s ILE 157 Cb -0.16 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.01 1k42 s ILE 157 CO 0.11 0.12 0.18 -0.31 0.00 0.00 0.00 174.94 175.04 1k42 s TYR 158 N 1.60 3.62 -0.01 3.97 1.51 -0.14 -1.11 117.35 126.79 1k42 s TYR 158 Ca 0.05 0.60 0.03 0.00 -1.01 0.00 0.00 57.07 56.74 1k42 s TYR 158 Cb -0.17 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.68 1k42 s TYR 158 CO 0.05 0.72 -0.10 0.42 -1.11 0.00 0.00 175.55 175.53 1k42 s ILE 159 N -1.02 0.80 -0.29 2.71 1.01 -0.86 -1.67 121.20 121.88 1k42 s ILE 159 Ca 0.16 -0.42 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 1k42 s ILE 159 Cb -0.13 -0.68 0.17 0.00 0.01 0.00 0.00 42.46 41.83 1k42 s ILE 159 CO 0.05 0.23 1.20 -0.62 0.00 0.00 0.00 174.94 175.81 1k42 s ASP 160 N -0.17 -0.25 0.00 3.58 -1.08 -0.62 -1.67 116.67 116.46 1k42 s ASP 160 Ca 0.03 0.45 0.00 0.00 -0.52 0.00 0.00 52.55 52.51 1k42 s ASP 160 Cb -0.05 0.72 0.00 0.00 -1.46 0.00 0.00 42.92 42.13 1k42 s ASP 160 CO -0.00 -0.08 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1k42 n GLY 161 N 2.49 1.12 3.59 2.66 0.00 -1.24 -1.32 105.19 112.49 1k42 n GLY 161 Ca -0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 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 3.16 -3.95 0.99 7.94 -1.21 -3.50 117.00 120.42 1k42 n LEU 162 Ca 0.00 0.13 -0.11 0.00 -1.11 0.00 0.00 56.01 54.92 1k42 n LEU 162 Cb 0.00 -1.56 -0.12 0.00 0.53 0.00 0.00 43.42 42.27 1k42 n LEU 162 CO 0.00 -0.78 -0.37 0.00 -1.11 0.00 0.00 177.39 175.13 1k42 s ALA 163 N 8.71 0.19 -0.22 1.96 0.00 -0.27 -4.11 121.76 128.02 1k42 s ALA 163 Ca 1.01 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 52.57 1k42 s ALA 163 Cb -0.33 0.05 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1k42 s ALA 163 CO 0.34 -0.05 0.01 0.42 0.00 0.00 0.00 175.76 176.48 1k42 s ILE 164 N -0.81 0.94 0.42 0.00 1.01 -1.26 -2.21 121.20 119.29 1k42 s ILE 164 Ca -0.08 -0.89 0.06 0.00 0.00 0.00 0.00 60.65 59.74 1k42 s ILE 164 Cb -0.06 -1.38 -0.07 0.00 0.01 0.00 0.00 42.46 40.96 1k42 s ILE 164 CO -0.00 -0.22 0.03 0.00 0.00 0.00 0.00 174.94 174.75 1k42 s ALA 165 N 1.66 3.34 -0.73 9.38 0.00 -1.07 -0.72 121.76 133.62 1k42 s ALA 165 Ca -0.02 -2.03 -0.15 0.00 0.00 0.00 0.00 51.96 49.77 1k42 s ALA 165 Cb -0.18 0.10 0.19 0.00 0.00 0.00 0.00 23.12 23.23 1k42 s ALA 165 CO -0.09 -0.11 0.69 -1.54 0.00 0.00 0.00 175.76 174.71 1k42 s SER 166 N -3.75 6.57 -0.58 0.00 1.04 -1.26 -1.48 113.70 114.23 1k42 s SER 166 Ca 0.32 -2.37 -0.02 0.00 0.48 0.00 0.00 55.95 54.35 1k42 s SER 166 Cb 0.08 -2.22 0.15 0.00 0.10 0.00 0.00 66.02 64.14 1k42 s SER 166 CO 0.16 -0.68 0.39 -1.10 0.98 0.00 0.00 173.24 172.99 1k42 s GLN 167 N 0.71 2.43 0.00 4.02 -0.21 -1.10 -4.99 119.66 120.52 1k42 s GLN 167 Ca 0.13 -2.41 0.29 0.00 0.02 0.00 0.00 55.36 53.39 1k42 s GLN 167 Cb -0.17 -3.68 1.71 0.00 1.00 0.00 0.00 33.01 31.87 1k42 s GLN 167 CO -0.05 -1.15 2.05 -0.35 -2.12 0.00 0.00 175.29 173.67