#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 3.11 1.23 -0.89 1.43 -1.26 -4.94 118.68 117.36 1k42 s LEU 2 Ca 0.00 -0.36 -0.17 0.00 -1.03 0.00 0.00 54.13 52.57 1k42 s LEU 2 Cb 0.00 -2.55 0.26 0.00 0.03 0.00 0.00 46.19 43.93 1k42 s LEU 2 CO 0.00 -3.00 0.63 0.55 0.23 0.00 0.00 176.35 174.77 1k42 n VAL 3 N 8.05 0.00 0.08 -1.59 3.14 -1.26 -4.90 118.33 121.86 1k42 n VAL 3 Ca 0.40 -0.27 -0.07 0.00 -2.96 0.00 0.00 64.34 61.44 1k42 n VAL 3 Cb 0.47 -0.83 -0.04 0.00 -1.06 0.00 0.00 33.84 32.37 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 -2.82 0.48 -2.75 1.55 0.00 -1.64 -3.43 119.26 110.64 1k42 h ALA 4 Ca -0.51 -0.80 -0.60 0.00 0.00 0.00 0.00 54.91 53.01 1k42 h ALA 4 Cb 1.27 -0.11 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 1k42 h ALA 4 CO 0.36 1.05 -0.07 1.21 0.00 0.00 0.00 179.25 181.80 1k42 s ASN 5 N -6.84 6.55 -0.22 0.00 3.84 -1.22 -2.22 114.94 114.83 1k42 s ASN 5 Ca -0.01 0.65 -0.04 0.00 0.21 0.00 0.00 52.86 53.67 1k42 s ASN 5 Cb 0.10 -2.28 -0.02 0.00 -0.55 0.00 0.00 41.25 38.51 1k42 s ASN 5 CO 0.82 -0.15 -0.02 -0.63 -2.79 0.00 0.00 177.10 174.33 1k42 s ILE 6 N 1.52 3.63 -0.21 -5.21 1.01 -1.26 -4.52 121.20 116.17 1k42 s ILE 6 Ca 0.23 -0.41 -0.01 0.00 0.00 0.00 0.00 60.65 60.46 1k42 s ILE 6 Cb -0.15 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1k42 s ILE 6 CO 0.09 0.42 0.18 -3.20 0.00 0.00 0.00 174.94 172.43 1k42 n ASN 7 N 4.62 -2.44 0.16 3.58 4.05 -1.26 -3.99 115.26 119.99 1k42 n ASN 7 Ca -0.18 -0.09 0.16 0.00 0.45 0.00 0.00 54.58 54.92 1k42 n ASN 7 Cb 0.51 -1.23 0.55 0.00 1.23 0.00 0.00 39.78 40.85 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 -0.38 0.00 0.00 8.20 0.00 -1.79 -3.37 103.07 105.73 1k42 h GLY 8 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.24 1k42 h GLY 8 CO 0.09 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.24 1k42 n GLY 9 N -1.45 -1.80 0.00 4.60 0.00 -1.26 -3.07 105.19 102.21 1k42 n GLY 9 Ca 0.06 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.74 1k42 n GLY 9 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1k42 n PHE 10 N 0.00 0.00 0.07 1.61 -1.74 -1.26 -4.06 117.46 112.08 1k42 n PHE 10 Ca 0.00 0.00 -0.04 0.00 -0.56 0.00 0.00 57.45 56.85 1k42 n PHE 10 Cb 0.00 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 40.98 1k42 n PHE 10 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 1k42 h GLU 11 N 0.39 -0.26 0.00 3.97 4.39 -1.94 -3.28 114.58 117.85 1k42 h GLU 11 Ca 0.00 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1k42 h GLU 11 Cb 0.00 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 1k42 h GLU 11 CO 0.00 -0.17 0.00 0.43 -1.16 0.00 0.00 179.01 178.11 1k42 n SER 12 N -4.74 0.00 -4.02 1.42 7.64 -1.26 -4.61 113.62 108.05 1k42 n SER 12 Ca -0.03 -0.38 -0.28 0.00 1.01 0.00 0.00 58.87 59.19 1k42 n SER 12 Cb 0.11 -0.15 -0.17 0.00 -1.01 0.00 0.00 64.21 62.99 1k42 n SER 12 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1k42 s THR 13 N -2.30 1.40 0.44 0.44 2.01 -1.24 -4.66 115.64 111.74 1k42 s THR 13 Ca 0.29 -0.57 -0.21 0.00 0.31 0.00 0.00 61.69 61.50 1k42 s THR 13 Cb 0.16 -1.31 -0.10 0.00 0.01 0.00 0.00 72.50 71.26 1k42 s THR 13 CO 0.32 0.43 1.00 -2.16 -0.69 0.00 0.00 174.62 173.51 1k42 s PRO 14 N 1.18 4.07 1.00 4.92 0.04 -1.26 -4.60 135.00 140.35 1k42 s PRO 14 Ca -0.03 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.11 1k42 s PRO 14 Cb -0.14 -2.23 -0.16 0.00 0.04 0.00 0.00 34.50 32.01 1k42 s PRO 14 CO -0.04 -0.19 -0.90 0.00 0.04 0.00 0.00 177.00 175.92 1k42 n ALA 15 N -0.62 -5.55 0.00 8.56 0.00 -1.26 -4.87 120.51 116.77 1k42 n ALA 15 Ca 0.07 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.74 1k42 n ALA 15 Cb 0.53 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 3.49 4.36 3.71 0.00 0.00 -0.83 -4.92 105.19 111.00 1k42 n GLY 16 Ca -0.02 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.64 2.18 -3.22 1.61 3.14 -1.26 -2.91 118.33 117.23 1k42 n VAL 17 Ca 0.00 -0.50 -0.36 0.00 -2.96 0.00 0.00 64.34 60.52 1k42 n VAL 17 Cb 0.00 -1.61 -0.06 0.00 -1.06 0.00 0.00 33.84 31.11 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 -1.13 4.70 -0.04 1.55 1.01 -0.86 -4.90 120.40 120.74 1k42 s VAL 18 Ca 0.57 1.08 0.15 0.00 0.00 0.00 0.00 61.98 63.79 1k42 s VAL 18 Cb -0.54 -3.81 -0.23 0.00 0.00 0.00 0.00 36.38 31.80 1k42 s VAL 18 CO 0.61 0.25 0.31 0.35 0.00 0.00 0.00 175.10 176.62 1k42 n THR 19 N 0.83 0.12 -3.74 3.92 -2.24 -1.26 -4.86 114.28 107.05 1k42 n THR 19 Ca -0.04 -0.39 -0.13 0.00 -2.27 0.00 0.00 64.05 61.22 1k42 n THR 19 Cb 0.51 0.05 -0.14 0.00 -2.10 0.00 0.00 70.33 68.66 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 -3.91 -0.20 -0.06 3.42 1.01 -1.26 -5.04 116.67 110.62 1k42 s ASP 20 Ca -0.06 0.43 -0.06 0.00 0.71 0.00 0.00 52.55 53.57 1k42 s ASP 20 Cb 0.09 0.32 -0.28 0.00 1.01 0.00 0.00 42.92 44.06 1k42 s ASP 20 CO 0.64 -0.16 0.61 0.17 0.21 0.00 0.00 175.17 176.64 1k42 h LEU 21 N 7.21 0.46 -2.48 1.23 8.10 -1.92 0.38 115.31 128.29 1k42 h LEU 21 Ca -0.42 -0.79 0.01 0.00 0.11 0.00 0.00 57.88 56.79 1k42 h LEU 21 Cb 1.15 -0.15 -0.00 0.00 -0.44 0.00 0.00 40.66 41.22 1k42 h LEU 21 CO 0.39 1.68 0.02 0.00 -4.11 0.00 0.00 178.44 176.43 1k42 h ALA 22 N 0.25 1.52 -0.21 0.17 0.00 -1.92 -2.54 119.26 116.53 1k42 h ALA 22 Ca -0.34 -0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.35 1k42 h ALA 22 Cb 2.06 0.00 -0.38 0.00 0.00 0.00 0.00 17.79 19.47 1k42 h ALA 22 CO 0.14 -0.03 -1.05 -0.85 0.00 0.00 0.00 179.25 177.46 1k42 n GLU 23 N -3.79 0.92 0.00 0.00 0.28 -1.24 -4.84 120.64 111.96 1k42 n GLU 23 Ca -0.03 -2.77 0.00 0.00 -0.16 0.00 0.00 57.16 54.21 1k42 n GLU 23 Cb 0.11 -0.82 0.00 0.00 1.43 0.00 0.00 31.44 32.15 1k42 n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1k42 n GLY 24 N -0.07 -0.14 3.70 -1.84 0.00 0.13 -4.84 105.19 102.13 1k42 n GLY 24 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 1k42 n GLY 24 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1k42 s VAL 25 N -0.72 5.00 0.37 1.61 1.01 -0.96 -4.93 120.40 121.77 1k42 s VAL 25 Ca 0.00 1.49 0.10 0.00 0.00 0.00 0.00 61.98 63.56 1k42 s VAL 25 Cb 0.00 -4.06 0.32 0.00 0.00 0.00 0.00 36.38 32.64 1k42 s VAL 25 CO 0.00 0.18 1.89 -0.08 0.00 0.00 0.00 175.10 177.10 1k42 h GLU 26 N 6.97 0.63 -0.33 2.72 4.81 -1.89 -1.44 114.58 126.05 1k42 h GLU 26 Ca -0.37 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.82 1k42 h GLU 26 Cb 1.18 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1k42 h GLU 26 CO 0.77 0.42 0.00 0.41 -0.73 0.00 0.00 179.01 179.88 1k42 n GLY 27 N -1.45 2.33 2.70 1.92 0.00 -1.26 -4.55 105.19 104.88 1k42 n GLY 27 Ca 0.16 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.00 0.02 0.01 1.61 0.52 -0.54 -0.99 118.94 118.57 1k42 s TRP 28 Ca 0.24 0.30 0.07 0.00 0.02 0.00 0.00 56.10 56.72 1k42 s TRP 28 Cb 0.13 -0.45 -0.02 0.00 -1.15 0.00 0.00 33.47 31.98 1k42 s TRP 28 CO 0.17 -0.21 -0.20 -0.51 0.02 0.00 0.00 176.95 176.21 1k42 s ASP 29 N 2.19 2.37 0.45 2.95 1.11 -0.29 -2.27 116.67 123.18 1k42 s ASP 29 Ca 0.05 -0.43 0.07 0.00 0.18 0.00 0.00 52.55 52.42 1k42 s ASP 29 Cb -0.12 -0.23 -0.01 0.00 1.07 0.00 0.00 42.92 43.62 1k42 s ASP 29 CO -0.04 0.20 0.33 -0.76 1.18 0.00 0.00 175.17 176.09 1k42 s LEU 30 N -0.78 3.15 -0.29 1.23 1.43 -0.98 -1.26 118.68 121.17 1k42 s LEU 30 Ca 0.07 -0.96 -0.11 0.00 -1.03 0.00 0.00 54.13 52.10 1k42 s LEU 30 Cb -0.08 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.59 1k42 s LEU 30 CO 0.00 -0.74 0.66 0.20 0.23 0.00 0.00 176.35 176.70 1k42 s ASN 31 N -4.11 -1.10 -0.10 2.29 0.01 -0.74 -3.95 114.94 107.25 1k42 s ASN 31 Ca 0.43 1.56 -0.02 0.00 -0.71 0.00 0.00 52.86 54.12 1k42 s ASN 31 Cb -0.01 2.08 -0.03 0.00 0.41 0.00 0.00 41.25 43.70 1k42 s ASN 31 CO 0.25 -0.22 -0.02 0.68 -1.51 0.00 0.00 177.10 176.27 1k42 s VAL 32 N 2.59 4.07 0.66 1.60 -7.23 -1.26 -2.94 120.40 117.90 1k42 s VAL 32 Ca -0.07 -0.33 -0.02 0.00 -1.81 0.00 0.00 61.98 59.76 1k42 s VAL 32 Cb -0.10 -2.72 0.08 0.00 0.56 0.00 0.00 36.38 34.20 1k42 s VAL 32 CO -0.19 0.58 0.92 -0.83 -0.31 0.00 0.00 175.10 175.27 1k42 s GLY 33 N -0.60 1.77 0.15 2.32 0.00 -1.16 -4.92 107.32 104.88 1k42 s GLY 33 Ca 0.10 -1.38 0.13 0.00 0.00 0.00 0.00 44.72 43.56 1k42 s GLY 33 CO 0.02 -0.96 1.39 1.44 0.00 0.00 0.00 173.10 174.99 1k42 n SER 34 N -2.68 0.28 0.09 1.64 7.64 -1.26 -1.54 113.62 117.78 1k42 n SER 34 Ca 0.11 0.61 -0.05 0.00 1.01 0.00 0.00 58.87 60.55 1k42 n SER 34 Cb 0.60 -0.66 0.11 0.00 -1.01 0.00 0.00 64.21 63.26 1k42 n SER 34 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1k42 h SER 35 N 0.00 0.26 -0.66 6.43 4.64 -1.92 -3.38 113.55 118.91 1k42 h SER 35 Ca 0.00 -0.15 -0.32 0.00 -0.47 0.00 0.00 61.79 60.85 1k42 h SER 35 Cb 0.08 -0.08 -0.05 0.00 -0.31 0.00 0.00 62.40 62.05 1k42 h SER 35 CO 0.00 0.81 0.88 -0.69 -0.87 0.00 0.00 176.83 176.97 1k42 s VAL 36 N -3.72 3.51 0.44 0.95 1.01 -0.59 -4.54 120.40 117.46 1k42 s VAL 36 Ca -0.04 -0.57 0.17 0.00 0.00 0.00 0.00 61.98 61.54 1k42 s VAL 36 Cb 0.12 -4.23 0.20 0.00 0.00 0.00 0.00 36.38 32.47 1k42 s VAL 36 CO 0.80 -1.02 2.00 0.74 0.00 0.00 0.00 175.10 177.62 1k42 h THR 37 N 6.91 1.03 -3.34 3.92 2.02 -1.85 -3.38 112.91 118.21 1k42 h THR 37 Ca 0.14 -0.63 -0.56 0.00 0.77 0.00 0.00 66.41 66.13 1k42 h THR 37 Cb 0.98 1.35 -0.38 0.00 -1.74 0.00 0.00 68.15 68.37 1k42 h THR 37 CO 1.23 0.17 -0.79 0.21 0.37 0.00 0.00 175.52 176.71 1k42 s ASN 38 N -6.83 2.90 0.36 4.18 2.47 -1.26 -5.12 114.94 111.63 1k42 s ASN 38 Ca -0.04 -0.70 -0.25 0.00 0.42 0.00 0.00 52.86 52.29 1k42 s ASN 38 Cb 0.15 -0.93 -0.09 0.00 -1.45 0.00 0.00 41.25 38.93 1k42 s ASN 38 CO 0.68 -0.19 1.03 -2.16 -3.72 0.00 0.00 177.10 172.73 1k42 s PRO 39 N 1.62 4.36 0.00 0.43 0.04 -1.26 -4.72 135.00 135.47 1k42 s PRO 39 Ca 0.00 1.51 0.00 0.00 0.04 0.00 0.00 61.00 62.55 1k42 s PRO 39 Cb -0.15 -2.72 0.00 0.00 0.04 0.00 0.00 34.50 31.67 1k42 s PRO 39 CO -0.08 0.04 0.00 -0.35 0.04 0.00 0.00 177.00 176.65 1k42 n PRO 40 N 0.31 0.48 -4.04 0.56 -0.04 -1.26 -4.95 135.00 126.06 1k42 n PRO 40 Ca 0.03 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.15 1k42 n PRO 40 Cb 0.49 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.80 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 -0.41 2.70 -0.37 0.52 1.01 -1.07 -4.84 120.40 117.94 1k42 s VAL 41 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.13 1k42 s VAL 41 Cb 0.00 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1k42 s VAL 41 CO 0.00 0.48 0.24 -0.36 0.00 0.00 0.00 175.10 175.46 1k42 s PHE 42 N 1.35 3.23 -0.21 5.22 0.08 -1.26 -2.24 117.98 124.14 1k42 s PHE 42 Ca 0.05 -0.59 -0.20 0.00 0.12 0.00 0.00 56.93 56.31 1k42 s PHE 42 Cb -0.14 -2.49 0.06 0.00 -0.57 0.00 0.00 43.02 39.88 1k42 s PHE 42 CO -0.08 -0.53 0.57 -2.00 -0.10 0.00 0.00 175.22 173.09 1k42 s GLU 43 N 1.65 0.67 0.18 0.44 -6.30 -1.12 -2.02 118.70 112.20 1k42 s GLU 43 Ca 0.04 0.79 -0.09 0.00 -2.50 0.00 0.00 54.97 53.22 1k42 s GLU 43 Cb -0.18 0.33 -0.07 0.00 0.00 0.00 0.00 34.13 34.21 1k42 s GLU 43 CO 0.09 -0.08 0.48 0.08 0.02 0.00 0.00 175.26 175.85 1k42 s VAL 44 N 0.30 5.01 0.17 3.70 1.01 -1.14 -0.70 120.40 128.74 1k42 s VAL 44 Ca -0.00 0.39 -0.10 0.00 0.00 0.00 0.00 61.98 62.26 1k42 s VAL 44 Cb -0.04 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.70 1k42 s VAL 44 CO 0.01 0.04 0.32 -1.48 0.00 0.00 0.00 175.10 173.99 1k42 s LEU 45 N -2.56 0.84 -0.29 3.92 -0.00 -0.73 -1.97 118.68 117.90 1k42 s LEU 45 Ca 0.43 -0.82 -0.05 0.00 -0.00 0.00 0.00 54.13 53.69 1k42 s LEU 45 Cb -0.12 1.32 0.02 0.00 -0.00 0.00 0.00 46.19 47.41 1k42 s LEU 45 CO 0.21 -0.92 0.03 -1.61 -0.00 0.00 0.00 176.35 174.07 1k42 s GLU 46 N -3.95 2.89 0.35 1.48 2.02 -1.26 -1.03 118.70 119.20 1k42 s GLU 46 Ca 0.16 -0.97 0.08 0.00 0.02 0.00 0.00 54.97 54.26 1k42 s GLU 46 Cb 0.03 -3.25 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 1k42 s GLU 46 CO -0.00 -0.47 0.15 0.95 0.02 0.00 0.00 175.26 175.91 1k42 s THR 47 N 1.41 2.92 -0.99 3.63 -4.23 0.26 -4.85 115.64 113.79 1k42 s THR 47 Ca 0.01 -1.68 0.23 0.00 -1.18 0.00 0.00 61.69 59.06 1k42 s THR 47 Cb -0.18 -2.98 -0.11 0.00 1.34 0.00 0.00 72.50 70.58 1k42 s THR 47 CO 0.00 -0.15 1.17 -0.24 -0.54 0.00 0.00 174.62 174.86 1k42 n SER 48 N -1.17 0.73 -0.69 3.99 2.88 -1.26 -3.92 113.62 114.18 1k42 n SER 48 Ca -0.03 -0.59 0.10 0.00 -1.33 0.00 0.00 58.87 57.02 1k42 n SER 48 Cb 0.62 0.61 0.05 0.00 -0.75 0.00 0.00 64.21 64.74 1k42 n SER 48 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1k42 n ASP 49 N -1.51 2.41 -4.38 -3.46 9.92 -1.26 -5.00 116.55 113.27 1k42 n ASP 49 Ca 0.05 -1.71 -0.41 0.00 -0.53 0.00 0.00 54.79 52.20 1k42 n ASP 49 Cb 0.34 0.18 0.01 0.00 -0.64 0.00 0.00 41.12 41.00 1k42 n ASP 49 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1k42 n ALA 50 N 0.71 -2.09 0.09 2.24 0.00 -1.25 -4.88 120.51 115.33 1k42 n ALA 50 Ca 0.11 0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.41 1k42 n ALA 50 Cb 0.48 -1.65 -0.14 0.00 0.00 0.00 0.00 19.45 18.15 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 0.45 0.56 -4.62 0.00 0.13 -1.91 -3.43 132.00 123.18 1k42 h PRO 51 Ca -0.40 -0.79 -0.65 0.00 -0.87 0.00 0.00 66.00 63.28 1k42 h PRO 51 Cb 1.42 0.27 -0.38 0.00 0.13 0.00 0.00 31.00 32.44 1k42 h PRO 51 CO 0.48 1.36 -0.77 -2.00 -0.23 0.00 0.00 178.00 176.84 1k42 s GLU 52 N -2.86 1.81 4.94 0.86 2.56 -1.26 -5.00 118.70 119.74 1k42 s GLU 52 Ca -0.10 -1.37 0.00 0.00 0.00 0.00 0.00 54.97 53.50 1k42 s GLU 52 Cb 0.05 -2.84 0.00 0.00 2.00 0.00 0.00 34.13 33.34 1k42 s GLU 52 CO 0.92 -0.69 0.00 0.41 -0.56 0.00 0.00 175.26 175.34 1k42 n GLY 53 N 4.47 1.68 2.04 -1.50 0.00 -1.26 -4.32 105.19 106.30 1k42 n GLY 53 Ca -0.08 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.16 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 5.56 -1.28 -3.48 1.61 4.13 -1.26 -4.73 115.26 115.80 1k42 n ASN 54 Ca 0.00 -2.13 -0.13 0.00 1.68 0.00 0.00 54.58 54.00 1k42 n ASN 54 Cb 0.00 0.54 -0.03 0.00 -1.54 0.00 0.00 39.78 38.75 1k42 n ASN 54 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1k42 s LYS 55 N 0.08 1.18 0.30 3.52 -2.85 -1.26 0.91 119.74 121.63 1k42 s LYS 55 Ca 0.06 -0.31 -0.10 0.00 -1.00 0.00 0.00 55.97 54.61 1k42 s LYS 55 Cb 0.28 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.60 1k42 s LYS 55 CO -0.08 -0.48 0.54 0.14 0.10 0.00 0.00 175.35 175.57 1k42 s VAL 56 N -3.06 0.00 -0.61 1.79 -7.23 -0.20 -4.83 120.40 106.26 1k42 s VAL 56 Ca -0.02 -1.39 -0.21 0.00 -1.81 0.00 0.00 61.98 58.56 1k42 s VAL 56 Cb -0.01 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.57 1k42 s VAL 56 CO -0.07 0.00 0.82 -0.22 -0.31 0.00 0.00 175.10 175.32 1k42 s LEU 57 N -3.09 4.87 -0.23 1.32 2.96 -0.45 -1.77 118.68 122.28 1k42 s LEU 57 Ca 0.23 -1.16 -0.29 0.00 -0.22 0.00 0.00 54.13 52.70 1k42 s LEU 57 Cb -0.02 -2.39 0.01 0.00 0.50 0.00 0.00 46.19 44.30 1k42 s LEU 57 CO 0.13 -1.25 1.03 0.00 -1.32 0.00 0.00 176.35 174.94 1k42 s ALA 58 N 3.34 3.68 0.02 5.97 0.00 0.12 -1.27 121.76 133.62 1k42 s ALA 58 Ca 0.17 0.16 0.05 0.00 0.00 0.00 0.00 51.96 52.34 1k42 s ALA 58 Cb -0.20 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1k42 s ALA 58 CO 0.09 -1.04 -0.11 0.08 0.00 0.00 0.00 175.76 174.78 1k42 s VAL 59 N 3.17 3.31 -0.65 0.00 1.01 -0.23 -2.78 120.40 124.22 1k42 s VAL 59 Ca 0.43 -0.93 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1k42 s VAL 59 Cb -0.15 -2.42 0.17 0.00 0.00 0.00 0.00 36.38 33.98 1k42 s VAL 59 CO 0.06 0.38 0.49 -0.89 0.00 0.00 0.00 175.10 175.14 1k42 s THR 60 N -0.96 4.08 -0.21 3.92 2.01 -0.95 -0.16 115.64 123.37 1k42 s THR 60 Ca 0.16 -2.79 -0.20 0.00 0.31 0.00 0.00 61.69 59.17 1k42 s THR 60 Cb -0.11 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 1k42 s THR 60 CO 0.07 -0.90 0.60 -0.69 -0.69 0.00 0.00 174.62 173.01 1k42 s VAL 61 N 0.08 5.03 -0.46 3.82 1.01 -1.12 -2.58 120.40 126.18 1k42 s VAL 61 Ca 0.16 1.11 0.06 0.00 0.00 0.00 0.00 61.98 63.31 1k42 s VAL 61 Cb -0.19 -3.92 0.31 0.00 0.00 0.00 0.00 36.38 32.59 1k42 s VAL 61 CO -0.04 0.11 1.10 -0.46 0.00 0.00 0.00 175.10 175.80 1k42 n ASN 62 N 5.13 -2.40 0.00 3.32 0.23 -1.26 -1.81 115.26 118.47 1k42 n ASN 62 Ca -0.02 -3.66 0.00 0.00 -0.53 0.00 0.00 54.58 50.37 1k42 n ASN 62 Cb 0.50 1.93 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 0.48 -0.92 2.83 4.83 0.00 -1.26 -4.85 105.19 106.29 1k42 n GLY 63 Ca 0.06 0.65 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.79 1.61 0.24 -1.26 -4.62 118.33 111.51 1k42 n VAL 64 Ca 0.00 -0.79 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1k42 n VAL 64 Cb 0.00 -1.53 0.00 0.00 -1.47 0.00 0.00 33.84 30.84 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 -1.23 5.59 1.76 7.63 0.00 -1.26 -4.77 105.19 112.91 1k42 n GLY 65 Ca 0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 46.02 44.63 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 4.37 -4.03 1.61 4.13 -1.26 -4.89 115.26 115.19 1k42 n ASN 66 Ca 0.00 -2.95 -0.13 0.00 1.68 0.00 0.00 54.58 53.18 1k42 n ASN 66 Cb 0.00 -0.70 -0.12 0.00 -1.54 0.00 0.00 39.78 37.42 1k42 n ASN 66 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 1k42 s ASN 67 N -0.70 0.73 0.00 6.41 0.01 -1.26 -5.01 114.94 115.11 1k42 s ASN 67 Ca 0.45 -0.46 0.00 0.00 -0.71 0.00 0.00 52.86 52.14 1k42 s ASN 67 Cb 0.35 0.03 0.00 0.00 0.41 0.00 0.00 41.25 42.04 1k42 s ASN 67 CO 0.11 -0.17 0.82 -0.81 -1.51 0.00 0.00 177.10 175.55 1k42 n PRO 68 N 1.75 0.91 -3.13 -0.60 -0.04 -1.26 -3.92 135.00 128.72 1k42 n PRO 68 Ca -0.21 0.00 -0.19 0.00 -0.04 0.00 0.00 63.50 63.06 1k42 n PRO 68 Cb 0.55 -1.09 -0.03 0.00 -0.04 0.00 0.00 33.50 32.90 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 -0.40 0.84 0.01 0.54 2.14 -1.26 -4.89 117.44 114.43 1k42 n TRP 69 Ca 0.00 -3.81 -0.01 0.00 2.07 0.00 0.00 57.50 55.76 1k42 n TRP 69 Cb 0.04 -0.43 -0.00 0.00 -0.81 0.00 0.00 31.31 30.11 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 2.99 -0.05 -3.25 -0.67 5.19 -1.68 -3.38 116.42 115.58 1k42 h ASP 70 Ca 0.10 0.00 -0.67 0.00 -0.62 0.00 0.00 57.03 55.85 1k42 h ASP 70 Cb 0.90 0.01 -0.31 0.00 0.18 0.00 0.00 39.33 40.12 1k42 h ASP 70 CO 0.55 0.07 -0.81 -0.63 -3.12 0.00 0.00 179.24 175.30 1k42 s ILE 71 N -1.57 2.62 -0.04 0.35 1.01 -0.32 -2.96 121.20 120.28 1k42 s ILE 71 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 60.65 59.90 1k42 s ILE 71 Cb 0.00 -2.12 0.00 0.00 0.01 0.00 0.00 42.46 40.35 1k42 s ILE 71 CO 0.02 0.51 -0.13 -0.70 0.00 0.00 0.00 174.94 174.64 1k42 s GLU 72 N 1.02 1.43 -0.31 2.79 2.12 -1.15 0.13 118.70 124.73 1k42 s GLU 72 Ca -0.01 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 1k42 s GLU 72 Cb -0.15 -1.25 0.06 0.00 0.26 0.00 0.00 34.13 33.05 1k42 s GLU 72 CO -0.03 0.14 0.01 0.00 -0.54 0.00 0.00 175.26 174.84 1k42 s ALA 73 N 0.24 2.82 0.33 6.30 0.00 0.53 -1.79 121.76 130.20 1k42 s ALA 73 Ca -0.06 -1.94 0.07 0.00 0.00 0.00 0.00 51.96 50.03 1k42 s ALA 73 Cb -0.11 -1.94 -0.02 0.00 0.00 0.00 0.00 23.12 21.04 1k42 s ALA 73 CO 0.02 -1.37 0.37 0.99 0.00 0.00 0.00 175.76 175.77 1k42 s THR 74 N 1.18 3.78 -0.03 0.00 2.01 -0.39 -0.70 115.64 121.49 1k42 s THR 74 Ca -0.03 -1.21 0.06 0.00 0.31 0.00 0.00 61.69 60.83 1k42 s THR 74 Cb -0.20 -3.29 -0.01 0.00 0.01 0.00 0.00 72.50 69.01 1k42 s THR 74 CO -0.03 -0.17 -0.22 0.00 -0.69 0.00 0.00 174.62 173.52 1k42 s ALA 75 N -2.25 1.84 -0.20 7.40 0.00 -0.40 -1.14 121.76 127.02 1k42 s ALA 75 Ca 0.42 -0.91 -0.36 0.00 0.00 0.00 0.00 51.96 51.12 1k42 s ALA 75 Cb -0.07 -0.53 0.14 0.00 0.00 0.00 0.00 23.12 22.66 1k42 s ALA 75 CO 0.28 0.40 1.24 -0.59 0.00 0.00 0.00 175.76 177.09 1k42 s PHE 76 N -0.28 -0.10 0.76 0.00 -0.12 -0.16 -2.43 117.98 115.66 1k42 s PHE 76 Ca 0.02 0.06 -0.10 0.00 -0.05 0.00 0.00 56.93 56.87 1k42 s PHE 76 Cb -0.11 0.51 0.07 0.00 -0.63 0.00 0.00 43.02 42.87 1k42 s PHE 76 CO 0.01 -0.17 1.11 -1.25 -0.05 0.00 0.00 175.22 174.87 1k42 s PRO 77 N -2.35 2.04 0.12 1.99 0.04 -1.26 -4.08 135.00 131.50 1k42 s PRO 77 Ca 0.10 -0.07 0.04 0.00 0.04 0.00 0.00 61.00 61.11 1k42 s PRO 77 Cb -0.01 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 1k42 s PRO 77 CO -0.04 -1.45 -0.11 0.08 0.04 0.00 0.00 177.00 175.52 1k42 s VAL 78 N -3.43 1.10 -0.01 -0.36 1.01 -0.57 -4.34 120.40 113.80 1k42 s VAL 78 Ca 0.61 -1.81 0.07 0.00 0.00 0.00 0.00 61.98 60.85 1k42 s VAL 78 Cb -0.11 -1.57 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1k42 s VAL 78 CO 0.47 -0.60 -0.22 0.20 0.00 0.00 0.00 175.10 174.95 1k42 s ASN 79 N -2.71 2.56 0.13 3.32 0.01 -0.94 -2.28 114.94 115.02 1k42 s ASN 79 Ca 0.10 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.86 1k42 s ASN 79 Cb -0.01 -0.28 -0.00 0.00 0.41 0.00 0.00 41.25 41.36 1k42 s ASN 79 CO 0.01 0.26 0.15 1.33 -1.51 0.00 0.00 177.10 177.34 1k42 n VAL 80 N 2.50 0.00 -4.09 1.60 0.24 -0.57 -4.58 118.33 113.43 1k42 n VAL 80 Ca -0.15 -0.73 -0.14 0.00 -2.04 0.00 0.00 64.34 61.27 1k42 n VAL 80 Cb 0.52 0.41 -0.13 0.00 -1.47 0.00 0.00 33.84 33.18 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 -2.36 0.44 -0.05 7.34 1.81 -1.26 -4.68 118.95 120.19 1k42 s ARG 81 Ca 0.12 -0.44 -0.30 0.00 -1.72 0.00 0.00 55.73 53.39 1k42 s ARG 81 Cb 0.00 -0.31 -0.03 0.00 -0.45 0.00 0.00 34.95 34.16 1k42 s ARG 81 CO 0.09 0.07 1.09 -1.25 -0.68 0.00 0.00 175.30 174.62 1k42 s PRO 82 N -0.80 4.43 0.00 3.54 0.04 -1.26 -3.20 135.00 137.74 1k42 s PRO 82 Ca -0.04 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1k42 s PRO 82 Cb -0.06 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.98 1k42 s PRO 82 CO 0.00 -0.30 0.00 0.41 0.04 0.00 0.00 177.00 177.15 1k42 n GLY 83 N 3.16 3.07 3.85 0.56 0.00 -1.26 -5.02 105.19 109.55 1k42 n GLY 83 Ca 0.09 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.15 4.70 -0.12 1.61 1.01 -1.20 -4.99 120.40 119.27 1k42 s VAL 84 Ca 0.00 0.92 -0.15 0.00 0.00 0.00 0.00 61.98 62.75 1k42 s VAL 84 Cb 0.00 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1k42 s VAL 84 CO 0.00 -0.15 0.35 -0.89 0.00 0.00 0.00 175.10 174.41 1k42 s THR 85 N -1.94 5.25 0.37 3.92 2.01 -1.26 -4.20 115.64 119.79 1k42 s THR 85 Ca 0.53 0.68 0.08 0.00 0.31 0.00 0.00 61.69 63.28 1k42 s THR 85 Cb -0.11 -3.68 -0.05 0.00 0.01 0.00 0.00 72.50 68.68 1k42 s THR 85 CO 0.18 0.41 0.14 -0.31 -0.69 0.00 0.00 174.62 174.35 1k42 s TYR 86 N 0.21 2.63 0.17 4.92 1.51 -1.13 -4.25 117.35 121.42 1k42 s TYR 86 Ca 0.20 -0.48 0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1k42 s TYR 86 Cb -0.14 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1k42 s TYR 86 CO 0.07 0.29 -0.21 0.99 -1.11 0.00 0.00 175.55 175.57 1k42 s THR 87 N -2.52 2.57 -0.15 -0.71 2.01 0.45 -3.48 115.64 113.81 1k42 s THR 87 Ca 0.39 -1.84 -0.02 0.00 0.31 0.00 0.00 61.69 60.54 1k42 s THR 87 Cb 0.01 -2.22 0.04 0.00 0.01 0.00 0.00 72.50 70.34 1k42 s THR 87 CO 0.22 -0.05 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.63 1k42 s TYR 88 N -1.49 1.17 0.03 4.92 6.14 -0.87 -2.75 117.35 124.50 1k42 s TYR 88 Ca 0.20 -0.74 0.02 0.00 0.64 0.00 0.00 57.07 57.19 1k42 s TYR 88 Cb -0.09 -1.07 -0.02 0.00 0.42 0.00 0.00 41.96 41.21 1k42 s TYR 88 CO 0.10 -0.53 -0.08 0.99 0.64 0.00 0.00 175.55 176.67 1k42 s THR 89 N 1.81 0.59 0.16 4.34 2.01 -1.10 -1.16 115.64 122.29 1k42 s THR 89 Ca 0.01 -0.80 -0.13 0.00 0.31 0.00 0.00 61.69 61.09 1k42 s THR 89 Cb -0.15 -0.59 0.01 0.00 0.01 0.00 0.00 72.50 71.78 1k42 s THR 89 CO -0.07 -0.17 0.37 -0.51 -0.69 0.00 0.00 174.62 173.55 1k42 s ILE 90 N -0.90 0.06 -0.04 1.82 2.07 -0.22 -1.61 121.20 122.38 1k42 s ILE 90 Ca -0.04 -1.06 0.03 0.00 -1.41 0.00 0.00 60.65 58.17 1k42 s ILE 90 Cb -0.07 -1.61 -0.00 0.00 0.13 0.00 0.00 42.46 40.91 1k42 s ILE 90 CO 0.00 -0.28 -0.13 0.26 -1.91 0.00 0.00 174.94 172.88 1k42 s TRP 91 N -3.90 1.37 0.06 3.50 0.52 -0.48 -1.45 118.94 118.56 1k42 s TRP 91 Ca 0.11 -0.38 0.05 0.00 0.02 0.00 0.00 56.10 55.91 1k42 s TRP 91 Cb 0.02 -0.95 -0.03 0.00 -1.15 0.00 0.00 33.47 31.37 1k42 s TRP 91 CO -0.04 -0.14 -0.15 0.00 0.02 0.00 0.00 176.95 176.65 1k42 s ALA 92 N 0.12 1.22 -0.30 0.98 0.00 -1.15 -1.68 121.76 120.95 1k42 s ALA 92 Ca -0.04 -0.94 -0.13 0.00 0.00 0.00 0.00 51.96 50.86 1k42 s ALA 92 Cb -0.10 -0.15 0.14 0.00 0.00 0.00 0.00 23.12 23.01 1k42 s ALA 92 CO 0.01 0.20 0.80 0.50 0.00 0.00 0.00 175.76 177.27 1k42 s ARG 93 N -1.48 0.48 0.35 0.00 3.52 -0.89 -1.61 118.95 119.31 1k42 s ARG 93 Ca 0.00 1.13 0.07 0.00 -0.13 0.00 0.00 55.73 56.80 1k42 s ARG 93 Cb -0.09 0.60 -0.03 0.00 -1.56 0.00 0.00 34.95 33.87 1k42 s ARG 93 CO 0.02 -0.15 0.31 0.00 -0.81 0.00 0.00 175.30 174.67 1k42 s ALA 94 N 2.51 3.88 0.02 6.12 0.00 -1.15 -0.98 121.76 132.17 1k42 s ALA 94 Ca -0.05 -1.67 -0.27 0.00 0.00 0.00 0.00 51.96 49.96 1k42 s ALA 94 Cb -0.09 -1.17 -0.16 0.00 0.00 0.00 0.00 23.12 21.70 1k42 s ALA 94 CO -0.18 -0.02 1.28 1.49 0.00 0.00 0.00 175.76 178.33 1k42 h GLU 95 N 1.21 -0.65 -5.50 0.00 4.81 -1.56 -3.37 114.58 109.51 1k42 h GLU 95 Ca -0.44 0.04 -0.64 0.00 -0.13 0.00 0.00 59.36 58.19 1k42 h GLU 95 Cb 1.26 0.15 -0.11 0.00 0.63 0.00 0.00 28.75 30.67 1k42 h GLU 95 CO 0.58 -0.35 -0.52 -0.65 -0.73 0.00 0.00 179.01 177.34 1k42 s GLN 96 N -4.97 3.71 0.51 1.92 -0.21 -1.26 -4.73 119.66 114.62 1k42 s GLN 96 Ca -0.15 -0.24 -0.23 0.00 0.02 0.00 0.00 55.36 54.76 1k42 s GLN 96 Cb 0.02 -3.21 -0.06 0.00 1.00 0.00 0.00 33.01 30.76 1k42 s GLN 96 CO 0.52 0.52 1.38 0.16 -2.12 0.00 0.00 175.29 175.76 1k42 s ASP 97 N -0.31 5.52 0.00 5.90 1.47 -1.26 -4.27 116.67 123.72 1k42 s ASP 97 Ca 0.10 2.82 0.00 0.00 1.18 0.00 0.00 52.55 56.65 1k42 s ASP 97 Cb -0.12 -2.64 0.00 0.00 -0.34 0.00 0.00 42.92 39.82 1k42 s ASP 97 CO 0.01 -1.41 0.00 0.61 0.68 0.00 0.00 175.17 175.07 1k42 n GLY 98 N 0.66 1.22 3.34 2.12 0.00 -1.06 -4.95 105.19 106.52 1k42 n GLY 98 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 2.26 0.12 4.61 0.00 -1.16 -4.44 121.76 121.15 1k42 s ALA 99 Ca 0.00 -1.08 0.09 0.00 0.00 0.00 0.00 51.96 50.97 1k42 s ALA 99 Cb 0.00 -0.65 -0.04 0.00 0.00 0.00 0.00 23.12 22.43 1k42 s ALA 99 CO 0.00 0.52 -0.19 0.08 0.00 0.00 0.00 175.76 176.17 1k42 s VAL 100 N -0.57 2.81 0.17 0.00 1.01 -1.03 0.53 120.40 123.32 1k42 s VAL 100 Ca 0.08 -1.51 -0.07 0.00 0.00 0.00 0.00 61.98 60.48 1k42 s VAL 100 Cb -0.11 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.97 1k42 s VAL 100 CO -0.00 0.10 0.25 -0.69 0.00 0.00 0.00 175.10 174.76 1k42 s VAL 101 N -1.14 0.06 -0.06 2.92 1.01 -1.17 -4.58 120.40 117.45 1k42 s VAL 101 Ca 0.18 -1.51 0.04 0.00 0.00 0.00 0.00 61.98 60.69 1k42 s VAL 101 Cb -0.11 -1.93 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 1k42 s VAL 101 CO 0.10 -0.29 -0.18 -0.44 0.00 0.00 0.00 175.10 174.28 1k42 s SER 102 N -2.99 2.35 -0.28 3.32 0.01 -1.17 -2.71 113.70 112.23 1k42 s SER 102 Ca 0.20 -0.40 -0.00 0.00 1.31 0.00 0.00 55.95 57.06 1k42 s SER 102 Cb 0.04 -0.81 0.08 0.00 0.21 0.00 0.00 66.02 65.55 1k42 s SER 102 CO 0.01 0.14 0.05 -0.36 0.41 0.00 0.00 173.24 173.49 1k42 s PHE 103 N 0.18 2.07 0.40 2.43 0.40 -1.09 -1.25 117.98 121.12 1k42 s PHE 103 Ca -0.08 -1.80 0.03 0.00 -0.60 0.00 0.00 56.93 54.48 1k42 s PHE 103 Cb -0.14 -1.76 -0.03 0.00 0.51 0.00 0.00 43.02 41.60 1k42 s PHE 103 CO 0.04 -0.82 0.09 0.95 0.70 0.00 0.00 175.22 176.18 1k42 s THR 104 N 1.49 0.85 -0.24 0.64 -4.23 -1.17 -2.26 115.64 110.73 1k42 s THR 104 Ca 0.05 -2.00 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 1k42 s THR 104 Cb -0.18 -2.46 0.07 0.00 1.34 0.00 0.00 72.50 71.27 1k42 s THR 104 CO -0.16 0.00 0.05 0.68 -0.54 0.00 0.00 174.62 174.66 1k42 s VAL 105 N -3.19 0.67 -0.17 2.29 -7.23 -1.15 -2.37 120.40 109.25 1k42 s VAL 105 Ca 0.25 -0.88 -0.08 0.00 -1.81 0.00 0.00 61.98 59.46 1k42 s VAL 105 Cb 0.04 -1.28 -0.04 0.00 0.56 0.00 0.00 36.38 35.66 1k42 s VAL 105 CO 0.13 -0.38 0.10 -0.83 -0.31 0.00 0.00 175.10 173.82 1k42 s GLY 106 N 1.77 2.01 0.04 2.32 0.00 -0.02 -2.23 107.32 111.21 1k42 s GLY 106 Ca 0.03 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.05 1k42 s GLY 106 CO -0.15 -0.03 0.06 0.70 0.00 0.00 0.00 173.10 173.68 1k42 n ASN 107 N 3.15 0.11 0.20 1.64 3.02 -1.19 -2.02 115.26 120.18 1k42 n ASN 107 Ca -0.17 -1.09 0.12 0.00 -0.03 0.00 0.00 54.58 53.41 1k42 n ASN 107 Cb 0.53 -0.03 0.16 0.00 -0.61 0.00 0.00 39.78 39.82 1k42 n ASN 107 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 1k42 h GLN 108 N 0.00 0.00 -0.06 3.52 4.20 -1.92 -3.00 115.11 117.85 1k42 h GLN 108 Ca -0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1k42 h GLN 108 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1k42 h GLN 108 CO 0.02 0.00 0.00 0.43 -0.67 0.00 0.00 178.83 178.61 1k42 n SER 109 N -3.02 0.37 -1.49 1.46 7.64 -1.26 -4.82 113.62 112.51 1k42 n SER 109 Ca 0.04 -1.89 -0.18 0.00 1.01 0.00 0.00 58.87 57.84 1k42 n SER 109 Cb 0.53 -0.04 -0.06 0.00 -1.01 0.00 0.00 64.21 63.62 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 -0.35 -0.15 -2.69 1.43 3.72 -1.13 -4.96 117.46 113.33 1k42 n PHE 110 Ca 0.05 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.18 1k42 n PHE 110 Cb 0.07 -3.14 0.01 0.00 -0.94 0.00 0.00 39.48 35.48 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 -3.75 3.34 -0.49 -1.08 -0.21 -1.26 -4.89 119.66 111.31 1k42 s GLN 111 Ca 0.00 0.03 -0.13 0.00 0.02 0.00 0.00 55.36 55.28 1k42 s GLN 111 Cb 0.00 -2.40 0.10 0.00 1.00 0.00 0.00 33.01 31.72 1k42 s GLN 111 CO 0.00 -0.30 0.40 -2.00 -2.12 0.00 0.00 175.29 171.27 1k42 s GLU 112 N -4.74 2.80 -0.00 2.91 2.12 -1.26 -3.17 118.70 117.35 1k42 s GLU 112 Ca 0.48 -1.59 -0.06 0.00 0.36 0.00 0.00 54.97 54.16 1k42 s GLU 112 Cb -0.10 -4.08 -0.03 0.00 0.26 0.00 0.00 34.13 30.18 1k42 s GLU 112 CO 0.43 -1.16 0.62 1.88 -0.54 0.00 0.00 175.26 176.49 1k42 h TYR 113 N 8.67 -0.19 -3.13 5.30 -1.99 -1.83 -3.48 116.97 120.32 1k42 h TYR 113 Ca -0.26 -0.00 -0.45 0.00 2.00 0.00 0.00 58.73 60.02 1k42 h TYR 113 Cb 1.09 0.06 -0.14 0.00 2.00 0.00 0.00 36.73 39.75 1k42 h TYR 113 CO 0.66 -0.12 -0.59 0.20 -0.00 0.00 0.00 178.16 178.31 1k42 s GLY 114 N -1.83 2.06 -0.30 3.88 0.00 -1.25 -4.82 107.32 105.06 1k42 s GLY 114 Ca -0.03 -1.86 -0.09 0.00 0.00 0.00 0.00 44.72 42.74 1k42 s GLY 114 CO 0.09 -1.75 0.73 1.09 0.00 0.00 0.00 173.10 173.27 1k42 s ARG 115 N -3.90 0.50 -0.45 2.90 1.70 -1.26 -2.95 118.95 115.47 1k42 s ARG 115 Ca 0.35 1.15 0.06 0.00 -0.47 0.00 0.00 55.73 56.83 1k42 s ARG 115 Cb 0.07 0.68 0.22 0.00 -0.57 0.00 0.00 34.95 35.35 1k42 s ARG 115 CO 0.15 -0.27 0.64 1.47 -1.08 0.00 0.00 175.30 176.21 1k42 n LEU 116 N 5.35 -1.73 -4.64 -1.89 -0.00 -0.96 -5.02 117.00 108.11 1k42 n LEU 116 Ca -0.09 -3.80 -0.27 0.00 -0.00 0.00 0.00 56.01 51.85 1k42 n LEU 116 Cb 0.50 0.71 -0.10 0.00 -0.00 0.00 0.00 43.42 44.53 1k42 n LEU 116 CO -0.03 1.98 -0.27 -1.38 -0.00 0.00 0.00 177.39 177.69 1k42 s HIS 117 N 0.11 2.53 -0.17 1.47 -3.43 -1.26 -2.66 115.29 111.88 1k42 s HIS 117 Ca 0.33 -0.62 -0.01 0.00 -0.80 0.00 0.00 55.06 53.96 1k42 s HIS 117 Cb 0.12 -1.76 0.00 0.00 -1.43 0.00 0.00 32.58 29.51 1k42 s HIS 117 CO -0.16 0.40 0.14 -1.91 -2.00 0.00 0.00 174.74 171.22 1k42 n GLU 118 N -1.01 -0.97 -5.01 -0.38 4.07 -1.10 -4.96 120.64 111.28 1k42 n GLU 118 Ca -0.04 0.10 -0.32 0.00 -0.06 0.00 0.00 57.16 56.84 1k42 n GLU 118 Cb 0.66 -2.92 -0.14 0.00 -0.06 0.00 0.00 31.44 28.98 1k42 n GLU 118 CO 0.00 0.00 0.00 1.14 -0.06 0.00 0.00 177.13 178.21 1k42 s GLN 119 N -5.06 2.52 0.63 5.31 -2.07 -1.23 -4.99 119.66 114.77 1k42 s GLN 119 Ca 0.07 -0.77 -0.14 0.00 -1.82 0.00 0.00 55.36 52.70 1k42 s GLN 119 Cb -0.03 -2.31 -0.02 0.00 -1.09 0.00 0.00 33.01 29.56 1k42 s GLN 119 CO 0.09 0.54 1.06 -0.65 -1.32 0.00 0.00 175.29 175.00 1k42 s GLN 120 N -0.52 3.19 -0.02 9.60 -0.21 -1.26 -3.06 119.66 127.38 1k42 s GLN 120 Ca 0.07 1.12 0.01 0.00 0.02 0.00 0.00 55.36 56.58 1k42 s GLN 120 Cb -0.11 -2.02 0.01 0.00 1.00 0.00 0.00 33.01 31.89 1k42 s GLN 120 CO 0.01 -0.91 -0.05 0.42 -2.12 0.00 0.00 175.29 172.65 1k42 s ILE 121 N -2.66 0.47 0.87 1.08 -1.09 0.19 -4.93 121.20 115.13 1k42 s ILE 121 Ca 0.62 -0.17 -0.11 0.00 -2.23 0.00 0.00 60.65 58.76 1k42 s ILE 121 Cb -0.15 -0.46 0.19 0.00 -1.58 0.00 0.00 42.46 40.46 1k42 s ILE 121 CO 0.43 0.17 1.18 0.35 -1.23 0.00 0.00 174.94 175.85 1k42 n THR 122 N 3.52 0.00 1.56 2.92 -2.24 -1.26 -2.55 114.28 116.23 1k42 n THR 122 Ca -0.20 -1.13 0.13 0.00 -2.27 0.00 0.00 64.05 60.58 1k42 n THR 122 Cb 0.54 -1.33 0.75 0.00 -2.10 0.00 0.00 70.33 68.19 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 -3.47 0.02 -3.01 4.28 -2.24 -1.26 -2.93 114.28 105.67 1k42 n THR 123 Ca 0.16 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.94 1k42 n THR 123 Cb 0.56 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 68.19 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 -1.02 1.34 -3.62 -0.78 -0.58 -1.26 -4.40 120.64 110.31 1k42 n GLU 124 Ca 0.19 0.00 -0.39 0.00 -0.42 0.00 0.00 57.16 56.53 1k42 n GLU 124 Cb 0.10 0.00 -0.11 0.00 -0.57 0.00 0.00 31.44 30.85 1k42 n GLU 124 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1k42 s TRP 125 N 0.88 3.20 -0.24 -0.32 0.52 -1.25 -3.78 118.94 117.94 1k42 s TRP 125 Ca 0.00 -0.50 -0.07 0.00 0.02 0.00 0.00 56.10 55.55 1k42 s TRP 125 Cb 0.00 -2.39 -0.03 0.00 -1.15 0.00 0.00 33.47 29.90 1k42 s TRP 125 CO 0.00 -0.44 0.06 -0.65 0.02 0.00 0.00 176.95 175.93 1k42 s GLN 126 N 1.64 3.64 -0.32 4.98 -0.21 -0.63 -4.86 119.66 123.89 1k42 s GLN 126 Ca 0.05 -0.49 -0.29 0.00 0.02 0.00 0.00 55.36 54.66 1k42 s GLN 126 Cb -0.17 -3.28 0.02 0.00 1.00 0.00 0.00 33.01 30.58 1k42 s GLN 126 CO 0.07 -0.16 1.05 -1.25 -2.12 0.00 0.00 175.29 172.89 1k42 s PRO 127 N 1.51 4.05 -0.10 2.91 0.04 -1.26 -2.92 135.00 139.23 1k42 s PRO 127 Ca 0.06 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1k42 s PRO 127 Cb -0.15 -3.74 -0.02 0.00 0.04 0.00 0.00 34.50 30.63 1k42 s PRO 127 CO 0.03 -0.90 -0.10 -0.06 0.04 0.00 0.00 177.00 176.01 1k42 s PHE 128 N 3.62 2.86 0.31 0.56 0.08 -0.53 -4.93 117.98 119.95 1k42 s PHE 128 Ca 0.44 -0.25 -0.02 0.00 0.12 0.00 0.00 56.93 57.23 1k42 s PHE 128 Cb -0.12 -1.77 -0.01 0.00 -0.57 0.00 0.00 43.02 40.55 1k42 s PHE 128 CO 0.16 0.09 0.38 -0.08 -0.10 0.00 0.00 175.22 175.67 1k42 s THR 129 N -0.28 0.00 -0.25 0.64 -1.32 -1.26 -1.06 115.64 112.11 1k42 s THR 129 Ca 0.03 -1.71 -0.31 0.00 -1.21 0.00 0.00 61.69 58.48 1k42 s THR 129 Cb -0.13 -2.54 0.17 0.00 -1.51 0.00 0.00 72.50 68.50 1k42 s THR 129 CO 0.03 0.00 1.28 0.72 -2.21 0.00 0.00 174.62 174.44 1k42 s PHE 130 N -3.42 -0.10 0.16 9.09 -0.12 -0.31 -4.98 117.98 118.31 1k42 s PHE 130 Ca 0.33 0.14 0.05 0.00 -0.05 0.00 0.00 56.93 57.40 1k42 s PHE 130 Cb 0.01 0.49 -0.04 0.00 -0.63 0.00 0.00 43.02 42.86 1k42 s PHE 130 CO 0.19 -0.10 0.15 -1.21 -0.05 0.00 0.00 175.22 174.19 1k42 s GLU 131 N -1.37 2.94 0.06 1.99 2.02 -1.26 -2.05 118.70 121.03 1k42 s GLU 131 Ca 0.08 -0.85 -0.27 0.00 0.02 0.00 0.00 54.97 53.95 1k42 s GLU 131 Cb -0.01 -2.67 0.09 0.00 0.10 0.00 0.00 34.13 31.64 1k42 s GLU 131 CO -0.05 0.49 0.81 0.12 0.02 0.00 0.00 175.26 176.64 1k42 s PHE 132 N -1.75 -0.38 0.06 1.61 2.19 -1.23 -5.00 117.98 113.48 1k42 s PHE 132 Ca 0.31 0.21 0.08 0.00 0.33 0.00 0.00 56.93 57.86 1k42 s PHE 132 Cb -0.10 0.55 -0.03 0.00 -1.31 0.00 0.00 43.02 42.13 1k42 s PHE 132 CO 0.24 -0.66 -0.22 0.99 1.83 0.00 0.00 175.22 177.40 1k42 s THR 133 N -3.32 1.75 -0.48 0.12 2.01 -1.26 -2.82 115.64 111.63 1k42 s THR 133 Ca 0.04 -1.33 -0.40 0.00 0.31 0.00 0.00 61.69 60.31 1k42 s THR 133 Cb -0.01 -1.54 -0.17 0.00 0.01 0.00 0.00 72.50 70.79 1k42 s THR 133 CO -0.09 0.14 2.19 0.52 -0.69 0.00 0.00 174.62 176.70 1k42 n VAL 134 N 1.60 0.05 -0.35 3.82 0.31 -1.26 -4.73 118.33 117.77 1k42 n VAL 134 Ca -0.18 -0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.19 1k42 n VAL 134 Cb 0.53 -0.87 0.31 0.00 -0.91 0.00 0.00 33.84 32.90 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 10.35 0.79 0.00 4.52 0.87 -1.94 -3.42 113.55 124.72 1k42 h SER 135 Ca -0.15 0.09 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1k42 h SER 135 Cb 1.38 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 1k42 h SER 135 CO 1.09 0.29 0.00 0.47 -0.53 0.00 0.00 176.83 178.15 1k42 n ASP 136 N -4.76 0.00 -2.72 6.23 9.92 -1.26 -5.06 116.55 118.90 1k42 n ASP 136 Ca 0.23 0.00 -0.08 0.00 -0.53 0.00 0.00 54.79 54.41 1k42 n ASP 136 Cb 0.56 0.00 0.10 0.00 -0.64 0.00 0.00 41.12 41.14 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 1.15 -2.84 -1.24 10.64 -1.26 -4.75 117.38 119.08 1k42 n GLN 137 Ca 0.00 -1.95 -0.43 0.00 -1.83 0.00 0.00 57.00 52.79 1k42 n GLN 137 Cb 0.00 -0.39 -0.04 0.00 -0.86 0.00 0.00 30.24 28.95 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 -0.00 3.52 0.28 2.61 0.41 -1.26 -4.86 118.70 119.39 1k42 s GLU 138 Ca 0.23 0.14 0.25 0.00 -0.41 0.00 0.00 54.97 55.17 1k42 s GLU 138 Cb 0.37 -3.92 0.70 0.00 -1.78 0.00 0.00 34.13 29.50 1k42 s GLU 138 CO -0.07 -1.20 1.73 1.79 -0.49 0.00 0.00 175.26 177.02 1k42 h THR 139 N 6.06 0.00 -3.72 3.63 1.35 -1.94 -3.41 112.91 114.88 1k42 h THR 139 Ca -0.24 -0.61 -0.43 0.00 -0.55 0.00 0.00 66.41 64.58 1k42 h THR 139 Cb 1.08 1.60 -0.32 0.00 -1.73 0.00 0.00 68.15 68.78 1k42 h THR 139 CO 1.02 0.00 -0.79 -0.69 -0.25 0.00 0.00 175.52 174.81 1k42 s VAL 140 N -3.15 0.78 0.23 6.82 1.01 -1.26 -1.51 120.40 123.33 1k42 s VAL 140 Ca 0.09 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.75 1k42 s VAL 140 Cb 0.10 -0.71 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 1k42 s VAL 140 CO 0.61 0.25 0.17 0.27 0.00 0.00 0.00 175.10 176.40 1k42 s ILE 141 N 0.35 0.02 -0.06 2.22 -4.36 -0.97 -4.16 121.20 114.23 1k42 s ILE 141 Ca -0.06 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.30 1k42 s ILE 141 Cb -0.10 -2.50 0.03 0.00 1.25 0.00 0.00 42.46 41.14 1k42 s ILE 141 CO 0.01 0.00 0.15 0.00 0.24 0.00 0.00 174.94 175.34 1k42 s ARG 142 N -3.98 0.11 -0.46 0.37 3.03 -0.85 -1.52 118.95 115.65 1k42 s ARG 142 Ca 0.39 0.34 -0.16 0.00 2.03 0.00 0.00 55.73 58.34 1k42 s ARG 142 Cb 0.06 -0.12 0.06 0.00 -1.03 0.00 0.00 34.95 33.91 1k42 s ARG 142 CO 0.16 -0.14 0.40 0.00 -1.13 0.00 0.00 175.30 174.59 1k42 s ALA 143 N 0.95 3.52 -0.41 7.88 0.00 -1.02 -0.84 121.76 131.85 1k42 s ALA 143 Ca -0.07 -1.96 -0.29 0.00 0.00 0.00 0.00 51.96 49.64 1k42 s ALA 143 Cb -0.09 -3.05 0.02 0.00 0.00 0.00 0.00 23.12 19.99 1k42 s ALA 143 CO -0.05 -1.69 1.22 -1.25 0.00 0.00 0.00 175.76 174.00 1k42 s PRO 144 N 1.77 3.77 -0.02 0.00 0.04 -1.00 -1.27 135.00 138.29 1k42 s PRO 144 Ca 0.06 0.85 -0.14 0.00 0.04 0.00 0.00 61.00 61.81 1k42 s PRO 144 Cb -0.22 -3.91 -0.05 0.00 0.04 0.00 0.00 34.50 30.36 1k42 s PRO 144 CO 0.08 -1.31 0.37 0.42 0.04 0.00 0.00 177.00 176.60 1k42 s ILE 145 N 4.56 5.11 0.25 0.56 -1.09 0.12 -3.03 121.20 127.68 1k42 s ILE 145 Ca 0.52 0.74 0.07 0.00 -2.23 0.00 0.00 60.65 59.76 1k42 s ILE 145 Cb -0.11 -3.67 -0.04 0.00 -1.58 0.00 0.00 42.46 37.06 1k42 s ILE 145 CO 0.28 0.58 0.15 -1.00 -1.23 0.00 0.00 174.94 173.72 1k42 s HIS 146 N -1.00 3.03 0.21 3.97 3.76 -0.38 -0.35 115.29 124.53 1k42 s HIS 146 Ca 0.22 -0.13 -0.22 0.00 -0.15 0.00 0.00 55.06 54.78 1k42 s HIS 146 Cb -0.16 -1.37 0.05 0.00 1.11 0.00 0.00 32.58 32.21 1k42 s HIS 146 CO 0.12 0.54 0.69 -0.06 -0.85 0.00 0.00 174.74 175.18 1k42 s PHE 147 N -2.15 -0.34 0.00 1.40 0.40 0.34 -3.03 117.98 114.60 1k42 s PHE 147 Ca 0.32 0.01 0.00 0.00 -0.60 0.00 0.00 56.93 56.67 1k42 s PHE 147 Cb -0.08 0.63 0.00 0.00 0.51 0.00 0.00 43.02 44.09 1k42 s PHE 147 CO 0.24 -1.02 0.00 0.41 0.70 0.00 0.00 175.22 175.55 1k42 n GLY 148 N -0.42 0.75 3.39 4.36 0.00 -1.24 -1.18 105.19 110.85 1k42 n GLY 148 Ca -0.10 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.20 1.89 0.37 1.61 2.02 -1.26 -4.42 117.35 116.36 1k42 s TYR 149 Ca 0.00 -0.56 0.17 0.00 -0.37 0.00 0.00 57.07 56.31 1k42 s TYR 149 Cb 0.00 -0.92 0.92 0.00 -0.40 0.00 0.00 41.96 41.56 1k42 s TYR 149 CO 0.00 0.41 1.90 0.00 -1.57 0.00 0.00 175.55 176.29 1k42 h ALA 150 N 2.43 1.38 0.00 3.71 0.00 -1.97 -0.54 119.26 124.26 1k42 h ALA 150 Ca -0.39 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1k42 h ALA 150 Cb 1.23 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1k42 h ALA 150 CO 0.63 0.36 0.00 0.00 0.00 0.00 0.00 179.25 180.24 1k42 n ALA 151 N -2.42 2.04 -0.19 0.00 0.00 -1.26 -2.34 120.51 116.33 1k42 n ALA 151 Ca -0.02 -0.05 0.04 0.00 0.00 0.00 0.00 53.44 53.41 1k42 n ALA 151 Cb 0.35 -1.39 0.10 0.00 0.00 0.00 0.00 19.45 18.51 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 -1.75 2.61 -4.92 0.00 5.15 -0.31 -2.48 115.26 113.57 1k42 n ASN 152 Ca 0.05 -2.10 -0.26 0.00 -0.60 0.00 0.00 54.58 51.66 1k42 n ASN 152 Cb 0.29 -0.17 0.01 0.00 -0.53 0.00 0.00 39.78 39.39 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 -1.19 4.22 -1.30 3.44 1.01 -0.59 -4.08 120.40 121.91 1k42 s VAL 153 Ca 0.16 -0.02 -0.06 0.00 0.00 0.00 0.00 61.98 62.06 1k42 s VAL 153 Cb 0.09 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.89 1k42 s VAL 153 CO 0.09 -0.59 0.39 0.61 0.00 0.00 0.00 175.10 175.60 1k42 n GLY 154 N -2.36 -0.50 3.63 4.51 0.00 -0.75 -4.92 105.19 104.81 1k42 n GLY 154 Ca 0.02 0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.54 -0.76 -0.25 1.61 -0.87 -1.10 -4.93 114.94 106.11 1k42 s ASN 155 Ca 0.28 1.43 -0.21 0.00 -1.57 0.00 0.00 52.86 52.79 1k42 s ASN 155 Cb -0.14 1.43 -0.02 0.00 -0.02 0.00 0.00 41.25 42.50 1k42 s ASN 155 CO 0.34 -0.24 0.64 -0.89 -2.57 0.00 0.00 177.10 174.38 1k42 s THR 156 N 0.53 4.98 -0.31 1.60 2.01 -1.26 -2.78 115.64 120.42 1k42 s THR 156 Ca -0.01 1.16 -0.12 0.00 0.31 0.00 0.00 61.69 63.03 1k42 s THR 156 Cb -0.05 -3.94 -0.03 0.00 0.01 0.00 0.00 72.50 68.49 1k42 s THR 156 CO -0.02 0.03 0.21 -0.63 -0.69 0.00 0.00 174.62 173.52 1k42 s ILE 157 N 2.44 5.24 0.08 1.82 1.09 0.77 -1.46 121.20 131.19 1k42 s ILE 157 Ca 0.27 -0.06 -0.13 0.00 -1.10 0.00 0.00 60.65 59.63 1k42 s ILE 157 Cb -0.16 -3.60 -0.06 0.00 -1.06 0.00 0.00 42.46 37.58 1k42 s ILE 157 CO 0.09 0.11 0.46 -0.31 -0.10 0.00 0.00 174.94 175.18 1k42 s TYR 158 N 1.73 3.64 -0.03 3.97 1.51 -0.16 -1.07 117.35 126.94 1k42 s TYR 158 Ca 0.06 0.94 -0.02 0.00 -1.01 0.00 0.00 57.07 57.05 1k42 s TYR 158 Cb -0.17 -2.27 0.02 0.00 -0.11 0.00 0.00 41.96 39.43 1k42 s TYR 158 CO 0.10 0.52 0.08 0.42 -1.11 0.00 0.00 175.55 175.57 1k42 s ILE 159 N -1.33 -0.02 -0.29 2.71 1.01 -0.40 -2.09 121.20 120.79 1k42 s ILE 159 Ca 0.32 0.07 -0.22 0.00 0.00 0.00 0.00 60.65 60.83 1k42 s ILE 159 Cb -0.15 -0.13 0.16 0.00 0.01 0.00 0.00 42.46 42.35 1k42 s ILE 159 CO 0.17 0.03 1.18 -0.62 0.00 0.00 0.00 174.94 175.71 1k42 s ASP 160 N 0.45 -0.28 0.00 3.58 2.15 -0.68 -1.33 116.67 120.56 1k42 s ASP 160 Ca -0.03 0.50 0.00 0.00 0.43 0.00 0.00 52.55 53.44 1k42 s ASP 160 Cb -0.05 0.74 0.00 0.00 -0.30 0.00 0.00 42.92 43.31 1k42 s ASP 160 CO -0.02 -0.08 0.00 0.61 -0.17 0.00 0.00 175.17 175.51 1k42 n GLY 161 N 2.48 0.52 3.55 2.66 0.00 -1.26 -1.38 105.19 111.77 1k42 n GLY 161 Ca -0.14 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.68 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 1.88 -4.28 0.99 7.94 -1.17 -3.57 117.00 118.79 1k42 n LEU 162 Ca 0.00 -1.16 -0.26 0.00 -1.11 0.00 0.00 56.01 53.47 1k42 n LEU 162 Cb 0.00 -1.61 -0.14 0.00 0.53 0.00 0.00 43.42 42.20 1k42 n LEU 162 CO 0.00 -2.28 -0.53 0.00 -1.11 0.00 0.00 177.39 173.47 1k42 s ALA 163 N 13.73 1.89 -0.10 1.96 0.00 -0.63 -3.68 121.76 134.93 1k42 s ALA 163 Ca 0.96 -1.15 -0.01 0.00 0.00 0.00 0.00 51.96 51.76 1k42 s ALA 163 Cb -0.17 -0.35 0.03 0.00 0.00 0.00 0.00 23.12 22.63 1k42 s ALA 163 CO 0.15 0.42 -0.04 0.42 0.00 0.00 0.00 175.76 176.72 1k42 s ILE 164 N -0.88 0.72 -0.11 0.00 1.01 -1.26 -2.71 121.20 117.97 1k42 s ILE 164 Ca 0.08 -0.12 -0.18 0.00 0.00 0.00 0.00 60.65 60.44 1k42 s ILE 164 Cb -0.09 -0.82 0.04 0.00 0.01 0.00 0.00 42.46 41.60 1k42 s ILE 164 CO 0.02 0.30 0.45 0.00 0.00 0.00 0.00 174.94 175.71 1k42 s ALA 165 N 1.83 -1.14 0.07 9.38 0.00 -1.11 -1.98 121.76 128.82 1k42 s ALA 165 Ca 0.05 1.02 -0.17 0.00 0.00 0.00 0.00 51.96 52.85 1k42 s ALA 165 Cb -0.13 -0.39 -0.05 0.00 0.00 0.00 0.00 23.12 22.55 1k42 s ALA 165 CO -0.07 -0.26 1.29 0.77 0.00 0.00 0.00 175.76 177.49 1k42 h SER 166 N 4.57 -1.04 -4.62 0.00 0.02 -1.90 0.13 113.55 110.72 1k42 h SER 166 Ca -0.28 0.14 -0.32 0.00 -0.84 0.00 0.00 61.79 60.50 1k42 h SER 166 Cb 1.17 0.44 -0.15 0.00 0.14 0.00 0.00 62.40 64.00 1k42 h SER 166 CO 0.30 -0.18 -0.63 -1.10 -1.14 0.00 0.00 176.83 174.08 1k42 s GLN 167 N -4.36 1.29 0.00 3.45 -0.21 -1.26 -3.84 119.66 114.74 1k42 s GLN 167 Ca -0.07 -1.68 0.29 0.00 0.02 0.00 0.00 55.36 53.92 1k42 s GLN 167 Cb 0.05 -0.20 1.72 0.00 1.00 0.00 0.00 33.01 35.58 1k42 s GLN 167 CO 0.32 -0.26 2.06 -0.35 -2.12 0.00 0.00 175.29 174.95