#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 5.37 0.44 -0.89 1.43 -1.26 -5.07 118.68 118.70 1k42 s LEU 2 Ca 0.00 -1.32 0.08 0.00 -1.03 0.00 0.00 54.13 51.86 1k42 s LEU 2 Cb 0.00 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 44.12 1k42 s LEU 2 CO 0.00 -0.58 0.54 0.54 0.23 0.00 0.00 176.35 177.08 1k42 s VAL 3 N 1.57 2.77 -0.03 -1.59 0.11 -1.26 -5.04 120.40 116.93 1k42 s VAL 3 Ca 0.04 -1.11 -0.23 0.00 -2.93 0.00 0.00 61.98 57.75 1k42 s VAL 3 Cb -0.23 -2.87 -0.23 0.00 -1.53 0.00 0.00 36.38 31.52 1k42 s VAL 3 CO 0.06 0.00 1.07 0.00 -3.33 0.00 0.00 175.10 172.90 1k42 h ALA 4 N 0.69 0.06 -2.65 1.54 0.00 -1.14 -3.43 119.26 114.34 1k42 h ALA 4 Ca -0.39 -0.48 -0.59 0.00 0.00 0.00 0.00 54.91 53.45 1k42 h ALA 4 Cb 1.28 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 1k42 h ALA 4 CO 0.48 0.16 0.06 1.21 0.00 0.00 0.00 179.25 181.16 1k42 s ASN 5 N -6.42 6.68 -0.05 0.00 2.47 -0.94 -2.59 114.94 114.09 1k42 s ASN 5 Ca -0.15 0.82 0.05 0.00 0.42 0.00 0.00 52.86 54.00 1k42 s ASN 5 Cb 0.02 -2.33 -0.02 0.00 -1.45 0.00 0.00 41.25 37.47 1k42 s ASN 5 CO 0.76 -0.22 -0.19 -0.63 -3.72 0.00 0.00 177.10 173.10 1k42 s ILE 6 N 1.65 2.60 -0.36 -5.21 1.09 -1.26 -4.51 121.20 115.19 1k42 s ILE 6 Ca 0.28 -0.89 0.00 0.00 -1.10 0.00 0.00 60.65 58.94 1k42 s ILE 6 Cb -0.16 -1.98 0.00 0.00 -1.06 0.00 0.00 42.46 39.26 1k42 s ILE 6 CO 0.11 0.58 0.00 -3.20 -0.10 0.00 0.00 174.94 172.32 1k42 n ASN 7 N 2.59 -3.68 -0.13 3.58 5.15 -1.26 -4.04 115.26 117.48 1k42 n ASN 7 Ca -0.17 0.09 -0.08 0.00 -0.60 0.00 0.00 54.58 53.81 1k42 n ASN 7 Cb 0.52 -1.48 0.00 0.00 -0.53 0.00 0.00 39.78 38.29 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 1k42 h GLY 8 N 0.00 0.57 -3.39 8.20 0.00 -1.80 -1.21 103.07 105.44 1k42 h GLY 8 Ca -0.07 -0.22 -0.32 0.00 0.00 0.00 0.00 47.33 46.72 1k42 h GLY 8 CO 0.10 0.21 0.41 0.61 0.00 0.00 0.00 176.54 177.88 1k42 n GLY 9 N -1.19 3.65 4.08 4.60 0.00 -1.26 -2.91 105.19 112.16 1k42 n GLY 9 Ca 0.01 -0.79 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.53 -1.50 0.05 1.61 3.01 -0.46 -4.29 117.46 115.35 1k42 n PHE 10 Ca 0.41 0.59 -0.04 0.00 1.01 0.00 0.00 57.45 59.42 1k42 n PHE 10 Cb 1.31 -3.27 -0.09 0.00 -0.01 0.00 0.00 39.48 37.42 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 -1.92 0.00 0.12 -1.08 4.39 -1.83 -3.35 114.58 110.90 1k42 h GLU 11 Ca -0.65 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 58.71 1k42 h GLU 11 Cb 1.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.02 1k42 h GLU 11 CO 0.63 0.63 -1.75 0.77 -1.16 0.00 0.00 179.01 178.13 1k42 h SER 12 N 0.00 0.39 -2.80 1.42 0.02 -1.91 -3.44 113.55 107.22 1k42 h SER 12 Ca -0.11 -0.67 -0.56 0.00 -0.84 0.00 0.00 61.79 59.61 1k42 h SER 12 Cb 1.73 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 64.11 1k42 h SER 12 CO 0.09 1.58 1.06 -0.89 -1.14 0.00 0.00 176.83 177.53 1k42 s THR 13 N -2.59 3.83 0.23 -2.27 2.01 -1.26 -4.97 115.64 110.63 1k42 s THR 13 Ca -0.14 0.97 -0.30 0.00 0.31 0.00 0.00 61.69 62.53 1k42 s THR 13 Cb 0.07 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.73 1k42 s THR 13 CO 0.82 -0.23 1.03 -2.16 -0.69 0.00 0.00 174.62 173.39 1k42 s PRO 14 N 4.26 4.71 0.67 4.92 0.04 -1.26 -4.96 135.00 143.37 1k42 s PRO 14 Ca 0.67 1.65 -0.17 0.00 0.04 0.00 0.00 61.00 63.19 1k42 s PRO 14 Cb -0.25 -3.25 -0.14 0.00 0.04 0.00 0.00 34.50 30.89 1k42 s PRO 14 CO 0.26 0.29 -0.37 0.00 0.04 0.00 0.00 177.00 177.22 1k42 n ALA 15 N 1.63 -3.94 0.00 8.56 0.00 -1.26 -4.87 120.51 120.63 1k42 n ALA 15 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.15 1k42 n ALA 15 Cb 0.46 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.65 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 2.79 4.13 3.71 0.00 0.00 -0.78 -4.94 105.19 110.10 1k42 n GLY 16 Ca 0.04 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.24 2.25 -3.14 1.61 3.14 -1.26 -2.76 118.33 117.93 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 -1.64 -0.06 0.00 -1.06 0.00 0.00 33.84 31.08 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 -1.14 4.59 -0.13 1.55 1.01 -0.45 -4.88 120.40 120.94 1k42 s VAL 18 Ca 0.57 1.33 0.16 0.00 0.00 0.00 0.00 61.98 64.05 1k42 s VAL 18 Cb -0.53 -3.93 -0.23 0.00 0.00 0.00 0.00 36.38 31.70 1k42 s VAL 18 CO 0.61 0.37 0.41 1.07 0.00 0.00 0.00 175.10 177.56 1k42 n THR 19 N 1.18 1.32 -3.63 3.92 5.66 -1.26 -4.76 114.28 116.70 1k42 n THR 19 Ca -0.05 -0.78 -0.29 0.00 -3.05 0.00 0.00 64.05 59.87 1k42 n THR 19 Cb 0.50 -0.65 -0.15 0.00 -1.55 0.00 0.00 70.33 68.48 1k42 n THR 19 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1k42 s ASP 20 N -5.65 3.72 0.56 1.09 1.11 -1.26 -4.98 116.67 111.26 1k42 s ASP 20 Ca -0.07 -1.42 0.42 0.00 0.18 0.00 0.00 52.55 51.66 1k42 s ASP 20 Cb 0.08 -0.58 1.55 0.00 1.07 0.00 0.00 42.92 45.03 1k42 s ASP 20 CO 0.83 -0.42 1.62 0.17 1.18 0.00 0.00 175.17 178.55 1k42 h LEU 21 N 8.26 0.00 0.49 1.23 -0.00 -1.90 0.27 115.31 123.67 1k42 h LEU 21 Ca -0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.69 1k42 h LEU 21 Cb 1.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 1k42 h LEU 21 CO 0.45 0.00 -0.25 0.00 -0.00 0.00 0.00 178.44 178.64 1k42 h ALA 22 N 1.08 -0.68 -0.93 0.17 0.00 -1.94 -2.03 119.26 114.93 1k42 h ALA 22 Ca 0.72 -0.15 -0.51 0.00 0.00 0.00 0.00 54.91 54.97 1k42 h ALA 22 Cb 3.05 0.28 -0.29 0.00 0.00 0.00 0.00 17.79 20.84 1k42 h ALA 22 CO -0.01 -0.89 0.60 -0.85 0.00 0.00 0.00 179.25 178.11 1k42 n GLU 23 N -5.39 2.29 -0.05 0.00 0.28 0.84 -3.92 120.64 114.69 1k42 n GLU 23 Ca -0.12 -3.08 -0.12 0.00 -0.16 0.00 0.00 57.16 53.68 1k42 n GLU 23 Cb 0.29 -2.16 -0.06 0.00 1.43 0.00 0.00 31.44 30.93 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 1.16 0.32 -4.60 -1.84 0.00 -0.93 -3.45 103.07 93.73 1k42 h GLY 24 Ca 0.59 -0.26 -0.53 0.00 0.00 0.00 0.00 47.33 47.13 1k42 h GLY 24 CO 1.11 0.24 -0.82 0.14 0.00 0.00 0.00 176.54 177.21 1k42 s VAL 25 N -4.72 1.46 0.02 4.60 1.01 -0.94 -4.98 120.40 116.84 1k42 s VAL 25 Ca -0.14 -1.10 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 1k42 s VAL 25 Cb 0.05 -1.28 -0.08 0.00 0.00 0.00 0.00 36.38 35.07 1k42 s VAL 25 CO 0.73 0.15 1.10 -0.08 0.00 0.00 0.00 175.10 176.99 1k42 h GLU 26 N 4.95 -0.51 0.00 2.72 4.81 -1.93 -2.87 114.58 121.74 1k42 h GLU 26 Ca -0.41 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1k42 h GLU 26 Cb 1.17 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.66 1k42 h GLU 26 CO 0.44 -0.34 0.00 0.41 -0.73 0.00 0.00 179.01 178.79 1k42 n GLY 27 N -0.90 -0.82 2.83 1.92 0.00 -1.26 -4.60 105.19 102.36 1k42 n GLY 27 Ca -0.07 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 45.60 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 0.86 -0.08 1.61 0.52 -1.08 -1.45 118.94 117.31 1k42 s TRP 28 Ca 0.29 -0.29 0.02 0.00 0.02 0.00 0.00 56.10 56.14 1k42 s TRP 28 Cb 0.13 -0.86 0.01 0.00 -1.15 0.00 0.00 33.47 31.60 1k42 s TRP 28 CO 0.23 -0.34 -0.14 -0.51 0.02 0.00 0.00 176.95 176.20 1k42 s ASP 29 N 1.69 2.16 0.52 2.95 1.11 -0.35 -2.22 116.67 122.52 1k42 s ASP 29 Ca 0.01 -0.37 0.08 0.00 0.18 0.00 0.00 52.55 52.45 1k42 s ASP 29 Cb -0.13 -0.98 0.04 0.00 1.07 0.00 0.00 42.92 42.92 1k42 s ASP 29 CO -0.05 0.04 0.56 -0.76 1.18 0.00 0.00 175.17 176.14 1k42 s LEU 30 N 0.76 3.08 -0.30 1.23 1.43 -0.79 -1.53 118.68 122.57 1k42 s LEU 30 Ca -0.12 -0.92 -0.11 0.00 -1.03 0.00 0.00 54.13 51.95 1k42 s LEU 30 Cb -0.16 -1.67 0.12 0.00 0.03 0.00 0.00 46.19 44.51 1k42 s LEU 30 CO 0.02 -1.07 0.67 0.20 0.23 0.00 0.00 176.35 176.40 1k42 s ASN 31 N -4.40 -1.10 -0.09 2.29 0.02 -0.56 -3.75 114.94 107.35 1k42 s ASN 31 Ca 0.49 1.55 -0.00 0.00 -1.02 0.00 0.00 52.86 53.88 1k42 s ASN 31 Cb -0.04 2.11 -0.03 0.00 0.02 0.00 0.00 41.25 43.30 1k42 s ASN 31 CO 0.30 -0.22 -0.07 0.68 0.02 0.00 0.00 177.10 177.81 1k42 s VAL 32 N 2.63 3.66 0.56 1.60 -7.23 -1.26 -2.71 120.40 117.65 1k42 s VAL 32 Ca -0.07 -0.48 0.05 0.00 -1.81 0.00 0.00 61.98 59.68 1k42 s VAL 32 Cb -0.10 -2.52 0.05 0.00 0.56 0.00 0.00 36.38 34.36 1k42 s VAL 32 CO -0.19 0.57 0.43 0.61 -0.31 0.00 0.00 175.10 176.21 1k42 n GLY 33 N 2.67 2.71 0.21 2.32 0.00 -1.15 -4.96 105.19 107.00 1k42 n GLY 33 Ca -0.18 -2.30 0.13 0.00 0.00 0.00 0.00 46.02 43.68 1k42 n GLY 33 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1k42 h SER 34 N 0.64 0.00 -0.87 1.61 0.02 -1.94 -1.40 113.55 111.61 1k42 h SER 34 Ca -0.35 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1k42 h SER 34 Cb 1.29 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.79 1k42 h SER 34 CO 0.55 0.00 0.56 0.28 -1.14 0.00 0.00 176.83 177.07 1k42 h SER 35 N 0.00 1.02 -0.44 3.07 0.02 -1.89 -3.36 113.55 111.97 1k42 h SER 35 Ca 0.00 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 1k42 h SER 35 Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1k42 h SER 35 CO 0.00 0.76 0.23 -0.69 -1.14 0.00 0.00 176.83 175.99 1k42 s VAL 36 N -5.94 3.14 0.53 2.27 1.01 -0.53 -3.50 120.40 117.39 1k42 s VAL 36 Ca -0.12 -0.13 0.19 0.00 0.00 0.00 0.00 61.98 61.92 1k42 s VAL 36 Cb 0.18 -3.37 0.29 0.00 0.00 0.00 0.00 36.38 33.48 1k42 s VAL 36 CO 0.81 -0.29 2.16 0.74 0.00 0.00 0.00 175.10 178.52 1k42 h THR 37 N 7.49 0.91 -3.39 3.92 2.02 -1.72 -3.39 112.91 118.75 1k42 h THR 37 Ca 0.03 0.00 -0.51 0.00 0.77 0.00 0.00 66.41 66.70 1k42 h THR 37 Cb 1.00 0.99 -0.34 0.00 -1.74 0.00 0.00 68.15 68.06 1k42 h THR 37 CO 1.06 0.00 -0.81 0.21 0.37 0.00 0.00 175.52 176.35 1k42 s ASN 38 N -6.89 1.78 -0.14 4.18 2.47 -1.21 -5.07 114.94 110.06 1k42 s ASN 38 Ca -0.05 -0.29 -0.29 0.00 0.42 0.00 0.00 52.86 52.64 1k42 s ASN 38 Cb 0.17 -0.81 -0.01 0.00 -1.45 0.00 0.00 41.25 39.14 1k42 s ASN 38 CO 0.65 0.01 1.18 -2.16 -3.72 0.00 0.00 177.10 173.06 1k42 s PRO 39 N 0.80 4.29 0.00 0.43 0.04 -1.26 -4.69 135.00 134.60 1k42 s PRO 39 Ca -0.12 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1k42 s PRO 39 Cb -0.15 -3.66 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1k42 s PRO 39 CO 0.02 -0.58 0.00 -0.35 0.04 0.00 0.00 177.00 176.13 1k42 n PRO 40 N 6.00 0.28 -4.04 0.56 -0.04 -1.26 -4.95 135.00 131.55 1k42 n PRO 40 Ca 0.12 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.25 1k42 n PRO 40 Cb 0.46 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.77 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 -0.57 2.50 -0.37 0.52 1.01 -1.08 -4.85 120.40 117.57 1k42 s VAL 41 Ca 0.00 -0.88 -0.12 0.00 0.00 0.00 0.00 61.98 60.97 1k42 s VAL 41 Cb 0.00 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.26 1k42 s VAL 41 CO 0.00 0.43 0.23 -0.36 0.00 0.00 0.00 175.10 175.40 1k42 s PHE 42 N 1.33 3.23 -0.01 5.22 0.40 -1.26 -2.17 117.98 124.72 1k42 s PHE 42 Ca 0.04 -0.65 -0.21 0.00 -0.60 0.00 0.00 56.93 55.50 1k42 s PHE 42 Cb -0.14 -2.48 0.04 0.00 0.51 0.00 0.00 43.02 40.95 1k42 s PHE 42 CO -0.09 -0.55 0.46 -2.00 0.70 0.00 0.00 175.22 173.75 1k42 s GLU 43 N 1.63 0.88 0.05 0.44 -6.30 -1.13 -1.34 118.70 112.92 1k42 s GLU 43 Ca 0.04 -0.10 0.01 0.00 -2.50 0.00 0.00 54.97 52.42 1k42 s GLU 43 Cb -0.18 0.40 -0.04 0.00 0.00 0.00 0.00 34.13 34.31 1k42 s GLU 43 CO 0.08 -0.27 0.11 0.08 0.02 0.00 0.00 175.26 175.28 1k42 s VAL 44 N -1.66 4.81 0.16 3.70 1.01 -1.11 -1.01 120.40 126.30 1k42 s VAL 44 Ca -0.10 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.22 1k42 s VAL 44 Cb -0.02 -3.29 0.00 0.00 0.00 0.00 0.00 36.38 33.07 1k42 s VAL 44 CO 0.04 0.21 0.32 -1.48 0.00 0.00 0.00 175.10 174.18 1k42 s LEU 45 N -2.19 0.85 -0.11 3.92 -0.00 -0.99 -1.87 118.68 118.29 1k42 s LEU 45 Ca 0.28 -0.75 0.02 0.00 -0.00 0.00 0.00 54.13 53.68 1k42 s LEU 45 Cb -0.12 1.36 0.02 0.00 -0.00 0.00 0.00 46.19 47.44 1k42 s LEU 45 CO 0.21 -0.89 -0.15 -1.83 -0.00 0.00 0.00 176.35 173.68 1k42 s GLU 46 N -3.93 2.18 0.29 1.48 -1.05 -1.26 -1.56 118.70 114.85 1k42 s GLU 46 Ca 0.13 -0.54 0.05 0.00 -0.15 0.00 0.00 54.97 54.46 1k42 s GLU 46 Cb 0.03 -1.88 -0.06 0.00 -0.44 0.00 0.00 34.13 31.78 1k42 s GLU 46 CO -0.03 -0.08 -0.01 0.95 0.95 0.00 0.00 175.26 177.04 1k42 s THR 47 N 1.05 1.40 -0.87 1.83 -4.23 -0.88 -4.97 115.64 108.96 1k42 s THR 47 Ca -0.05 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1k42 s THR 47 Cb -0.15 -2.56 0.33 0.00 1.34 0.00 0.00 72.50 71.47 1k42 s THR 47 CO -0.02 -0.20 1.05 -1.54 -0.54 0.00 0.00 174.62 173.36 1k42 n SER 48 N -0.60 2.79 0.00 3.99 3.41 -1.26 -3.49 113.62 118.45 1k42 n SER 48 Ca -0.04 -2.33 0.00 0.00 -0.26 0.00 0.00 58.87 56.23 1k42 n SER 48 Cb 0.65 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 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 0.28 0.74 -4.41 4.04 9.92 -1.26 -5.06 116.55 120.80 1k42 n ASP 49 Ca 0.11 -0.95 -0.42 0.00 -0.53 0.00 0.00 54.79 53.00 1k42 n ASP 49 Cb 0.59 0.06 0.00 0.00 -0.64 0.00 0.00 41.12 41.14 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 -0.06 -1.97 0.08 2.24 0.00 -1.23 -4.88 120.51 114.68 1k42 n ALA 50 Ca 0.00 0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1k42 n ALA 50 Cb 0.05 -1.68 -0.14 0.00 0.00 0.00 0.00 19.45 17.68 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 0.66 0.49 -3.04 0.00 0.13 -1.92 -3.41 132.00 124.91 1k42 h PRO 51 Ca -0.39 -0.70 -0.61 0.00 -0.87 0.00 0.00 66.00 63.42 1k42 h PRO 51 Cb 1.41 0.24 -0.40 0.00 0.13 0.00 0.00 31.00 32.38 1k42 h PRO 51 CO 0.50 1.31 -0.72 -2.00 -0.23 0.00 0.00 178.00 176.86 1k42 s GLU 52 N -2.81 1.40 0.00 0.86 -6.30 -1.26 -5.03 118.70 105.56 1k42 s GLU 52 Ca -0.11 -2.12 0.00 0.00 -2.50 0.00 0.00 54.97 50.24 1k42 s GLU 52 Cb 0.04 -2.49 0.00 0.00 0.00 0.00 0.00 34.13 31.68 1k42 s GLU 52 CO 0.89 -1.16 0.00 0.41 0.02 0.00 0.00 175.26 175.42 1k42 n GLY 53 N 3.45 0.74 0.41 -1.50 0.00 -1.26 -4.61 105.19 102.42 1k42 n GLY 53 Ca 0.09 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.72 1k42 n GLY 53 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k42 n ASN 54 N 0.00 0.00 -3.97 1.61 6.94 -1.26 -4.57 115.26 114.01 1k42 n ASN 54 Ca 0.00 -1.30 -0.11 0.00 -0.02 0.00 0.00 54.58 53.14 1k42 n ASN 54 Cb 0.00 -0.06 -0.12 0.00 -2.36 0.00 0.00 39.78 37.24 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 1k42 s LYS 55 N 0.00 0.30 0.30 -3.83 1.02 -1.26 -2.07 119.74 114.19 1k42 s LYS 55 Ca 0.00 -0.45 -0.08 0.00 0.02 0.00 0.00 55.97 55.46 1k42 s LYS 55 Cb 0.00 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.26 1k42 s LYS 55 CO 0.00 0.00 0.48 0.14 -0.92 0.00 0.00 175.35 175.05 1k42 s VAL 56 N -0.96 0.00 -0.49 3.17 -7.23 -0.60 -4.28 120.40 110.01 1k42 s VAL 56 Ca -0.09 -1.50 -0.15 0.00 -1.81 0.00 0.00 61.98 58.43 1k42 s VAL 56 Cb -0.07 -2.47 0.09 0.00 0.56 0.00 0.00 36.38 34.49 1k42 s VAL 56 CO -0.00 0.00 0.42 -0.22 -0.31 0.00 0.00 175.10 174.98 1k42 s LEU 57 N -3.13 5.75 -0.19 1.32 2.96 -0.73 -2.35 118.68 122.31 1k42 s LEU 57 Ca 0.26 -1.47 -0.27 0.00 -0.22 0.00 0.00 54.13 52.44 1k42 s LEU 57 Cb -0.00 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.50 1k42 s LEU 57 CO 0.14 -0.70 0.94 0.00 -1.32 0.00 0.00 176.35 175.42 1k42 s ALA 58 N 1.62 3.59 0.02 5.97 0.00 -0.18 -1.94 121.76 130.83 1k42 s ALA 58 Ca 0.04 0.12 0.06 0.00 0.00 0.00 0.00 51.96 52.18 1k42 s ALA 58 Cb -0.26 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.43 1k42 s ALA 58 CO 0.05 -0.85 -0.17 0.08 0.00 0.00 0.00 175.76 174.88 1k42 s VAL 59 N 2.65 2.89 -0.75 0.00 1.01 -0.28 -2.84 120.40 123.09 1k42 s VAL 59 Ca 0.42 -1.08 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 1k42 s VAL 59 Cb -0.16 -2.20 0.19 0.00 0.00 0.00 0.00 36.38 34.21 1k42 s VAL 59 CO 0.10 0.39 0.62 -0.89 0.00 0.00 0.00 175.10 175.31 1k42 s THR 60 N -0.90 4.50 -0.23 3.92 2.01 -0.92 0.14 115.64 124.15 1k42 s THR 60 Ca 0.14 -2.96 -0.23 0.00 0.31 0.00 0.00 61.69 58.96 1k42 s THR 60 Cb -0.11 -3.84 -0.01 0.00 0.01 0.00 0.00 72.50 68.55 1k42 s THR 60 CO 0.05 -0.97 0.75 -0.69 -0.69 0.00 0.00 174.62 173.07 1k42 s VAL 61 N -0.23 4.91 -0.45 3.82 1.01 -1.09 -2.62 120.40 125.74 1k42 s VAL 61 Ca 0.19 1.40 0.06 0.00 0.00 0.00 0.00 61.98 63.64 1k42 s VAL 61 Cb -0.15 -4.04 0.32 0.00 0.00 0.00 0.00 36.38 32.51 1k42 s VAL 61 CO -0.06 -0.01 1.14 -0.46 0.00 0.00 0.00 175.10 175.71 1k42 n ASN 62 N 5.70 -2.30 0.00 3.32 0.23 -1.26 -1.82 115.26 119.12 1k42 n ASN 62 Ca 0.03 -3.60 0.00 0.00 -0.53 0.00 0.00 54.58 50.48 1k42 n ASN 62 Cb 0.48 1.87 0.00 0.00 -2.08 0.00 0.00 39.78 40.05 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 0.29 -0.73 2.58 4.83 0.00 -1.26 -4.84 105.19 106.05 1k42 n GLY 63 Ca 0.05 0.52 -0.19 0.00 0.00 0.00 0.00 46.02 46.40 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 -2.95 1.61 0.24 -1.26 -3.35 118.33 112.62 1k42 n VAL 64 Ca 0.00 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 61.62 1k42 n VAL 64 Cb 0.00 -1.64 0.00 0.00 -1.47 0.00 0.00 33.84 30.73 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 -0.77 6.85 0.04 7.63 0.00 -1.23 -3.93 105.19 113.77 1k42 n GLY 65 Ca 0.11 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.45 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 0.55 -4.78 1.61 4.13 -1.26 -4.86 115.26 110.65 1k42 n ASN 66 Ca 0.00 -0.31 -0.32 0.00 1.68 0.00 0.00 54.58 55.63 1k42 n ASN 66 Cb 0.00 0.19 -0.07 0.00 -1.54 0.00 0.00 39.78 38.37 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 -2.92 5.63 0.00 6.41 0.01 -1.26 -4.98 114.94 117.82 1k42 s ASN 67 Ca 0.13 0.07 0.00 0.00 -0.71 0.00 0.00 52.86 52.35 1k42 s ASN 67 Cb 0.18 -1.57 0.00 0.00 0.41 0.00 0.00 41.25 40.27 1k42 s ASN 67 CO 0.66 0.21 0.78 -0.81 -1.51 0.00 0.00 177.10 176.43 1k42 n PRO 68 N 0.76 0.94 -2.81 -0.60 -0.04 -1.26 -3.83 135.00 128.15 1k42 n PRO 68 Ca -0.10 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.22 1k42 n PRO 68 Cb 0.52 -1.17 0.01 0.00 -0.04 0.00 0.00 33.50 32.82 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 -0.31 1.15 0.04 0.54 2.14 -1.26 -4.78 117.44 114.95 1k42 n TRP 69 Ca 0.00 -3.17 -0.02 0.00 2.07 0.00 0.00 57.50 56.38 1k42 n TRP 69 Cb 0.08 -0.37 -0.01 0.00 -0.81 0.00 0.00 31.31 30.20 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 2.97 -0.12 -3.34 -0.67 5.19 -1.66 -3.42 116.42 115.36 1k42 h ASP 70 Ca -0.00 0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.79 1k42 h ASP 70 Cb 1.07 0.03 -0.18 0.00 0.18 0.00 0.00 39.33 40.44 1k42 h ASP 70 CO 0.54 0.09 -0.59 -0.63 -3.12 0.00 0.00 179.24 175.53 1k42 s ILE 71 N -1.97 4.55 -0.06 0.35 1.01 -0.74 -2.94 121.20 121.40 1k42 s ILE 71 Ca -0.02 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1k42 s ILE 71 Cb 0.00 -3.05 0.01 0.00 0.01 0.00 0.00 42.46 39.44 1k42 s ILE 71 CO 0.06 0.45 -0.10 -1.61 0.00 0.00 0.00 174.94 173.75 1k42 s GLU 72 N 0.53 1.38 -0.32 2.79 2.02 -1.10 -0.31 118.70 123.69 1k42 s GLU 72 Ca 0.02 -0.31 -0.03 0.00 0.02 0.00 0.00 54.97 54.67 1k42 s GLU 72 Cb -0.13 -1.19 0.05 0.00 0.10 0.00 0.00 34.13 32.96 1k42 s GLU 72 CO 0.01 0.00 0.04 0.00 0.02 0.00 0.00 175.26 175.34 1k42 s ALA 73 N 0.69 2.89 0.29 5.21 0.00 -0.15 -1.50 121.76 129.20 1k42 s ALA 73 Ca -0.13 -1.85 0.08 0.00 0.00 0.00 0.00 51.96 50.07 1k42 s ALA 73 Cb -0.15 -2.05 -0.04 0.00 0.00 0.00 0.00 23.12 20.89 1k42 s ALA 73 CO 0.02 -1.34 0.15 0.99 0.00 0.00 0.00 175.76 175.58 1k42 s THR 74 N 1.26 3.65 -0.02 0.00 2.01 -0.59 -0.75 115.64 121.20 1k42 s THR 74 Ca -0.03 -1.60 0.07 0.00 0.31 0.00 0.00 61.69 60.43 1k42 s THR 74 Cb -0.20 -3.11 -0.02 0.00 0.01 0.00 0.00 72.50 69.19 1k42 s THR 74 CO -0.01 -0.28 -0.22 0.00 -0.69 0.00 0.00 174.62 173.42 1k42 s ALA 75 N -2.29 1.87 0.00 7.40 0.00 -0.74 -1.22 121.76 126.78 1k42 s ALA 75 Ca 0.35 -0.95 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1k42 s ALA 75 Cb -0.06 -0.50 0.00 0.00 0.00 0.00 0.00 23.12 22.56 1k42 s ALA 75 CO 0.23 0.43 0.00 1.97 0.00 0.00 0.00 175.76 178.40 1k42 n PHE 76 N 2.64 0.00 -2.02 0.00 1.16 -0.53 -2.47 117.46 116.24 1k42 n PHE 76 Ca -0.16 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.13 1k42 n PHE 76 Cb 0.52 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.45 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 2.61 0.16 3.97 0.04 -1.26 -4.27 135.00 134.25 1k42 s PRO 77 Ca 0.00 0.22 0.07 0.00 0.04 0.00 0.00 61.00 61.33 1k42 s PRO 77 Cb 0.00 -2.07 -0.04 0.00 0.04 0.00 0.00 34.50 32.43 1k42 s PRO 77 CO 0.00 -1.11 -0.15 0.08 0.04 0.00 0.00 177.00 175.85 1k42 s VAL 78 N -3.33 1.61 -0.02 -0.36 1.01 -0.69 -4.40 120.40 114.22 1k42 s VAL 78 Ca 0.58 -1.95 0.07 0.00 0.00 0.00 0.00 61.98 60.69 1k42 s VAL 78 Cb -0.11 -1.80 -0.02 0.00 0.00 0.00 0.00 36.38 34.45 1k42 s VAL 78 CO 0.49 -0.45 -0.23 0.20 0.00 0.00 0.00 175.10 175.12 1k42 s ASN 79 N -2.81 2.67 0.14 3.32 0.01 -1.07 -2.62 114.94 114.58 1k42 s ASN 79 Ca 0.16 -0.41 0.00 0.00 -0.71 0.00 0.00 52.86 51.90 1k42 s ASN 79 Cb -0.04 -0.34 -0.00 0.00 0.41 0.00 0.00 41.25 41.28 1k42 s ASN 79 CO 0.05 0.27 0.18 1.33 -1.51 0.00 0.00 177.10 177.42 1k42 n VAL 80 N 2.57 0.00 -4.01 1.60 0.24 -0.52 -4.49 118.33 113.72 1k42 n VAL 80 Ca -0.16 -0.83 -0.13 0.00 -2.04 0.00 0.00 64.34 61.18 1k42 n VAL 80 Cb 0.52 0.47 -0.14 0.00 -1.47 0.00 0.00 33.84 33.23 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 -2.40 0.23 -0.25 7.34 3.52 -1.26 -4.72 118.95 121.41 1k42 s ARG 81 Ca 0.14 -0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 55.27 1k42 s ARG 81 Cb -0.00 -0.18 -0.00 0.00 -1.56 0.00 0.00 34.95 33.21 1k42 s ARG 81 CO 0.10 0.05 1.26 -1.25 -0.81 0.00 0.00 175.30 174.64 1k42 s PRO 82 N -0.26 4.06 0.00 5.12 0.04 -1.26 -3.20 135.00 139.50 1k42 s PRO 82 Ca -0.01 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1k42 s PRO 82 Cb -0.02 -3.81 0.00 0.00 0.04 0.00 0.00 34.50 30.70 1k42 s PRO 82 CO -0.00 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 176.53 1k42 n GLY 83 N 3.96 2.39 3.86 0.56 0.00 -1.26 -5.04 105.19 109.66 1k42 n GLY 83 Ca 0.14 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.66 4.82 0.12 1.61 1.01 -1.19 -4.97 120.40 120.14 1k42 s VAL 84 Ca 0.00 0.70 -0.08 0.00 0.00 0.00 0.00 61.98 62.60 1k42 s VAL 84 Cb 0.00 -3.62 -0.06 0.00 0.00 0.00 0.00 36.38 32.70 1k42 s VAL 84 CO 0.00 -0.10 0.41 0.28 0.00 0.00 0.00 175.10 175.69 1k42 s THR 85 N -1.87 5.10 0.22 3.92 -1.32 -1.26 -4.29 115.64 116.14 1k42 s THR 85 Ca 0.50 0.30 0.10 0.00 -1.21 0.00 0.00 61.69 61.39 1k42 s THR 85 Cb -0.11 -3.63 -0.05 0.00 -1.51 0.00 0.00 72.50 67.20 1k42 s THR 85 CO 0.19 0.15 -0.20 -0.31 -2.21 0.00 0.00 174.62 172.25 1k42 s TYR 86 N -1.55 2.09 -0.03 9.09 1.51 -1.12 -4.57 117.35 122.77 1k42 s TYR 86 Ca 0.38 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 56.06 1k42 s TYR 86 Cb -0.13 -0.98 -0.03 0.00 -0.11 0.00 0.00 41.96 40.71 1k42 s TYR 86 CO 0.21 0.52 -0.08 0.99 -1.11 0.00 0.00 175.55 176.08 1k42 s THR 87 N -2.27 3.58 -0.05 -0.71 2.01 -0.38 -3.47 115.64 114.36 1k42 s THR 87 Ca 0.23 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.58 1k42 s THR 87 Cb -0.05 -2.50 0.02 0.00 0.01 0.00 0.00 72.50 69.98 1k42 s THR 87 CO 0.10 0.49 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.18 1k42 s TYR 88 N -0.89 0.78 0.07 4.92 2.02 -0.73 -1.67 117.35 121.84 1k42 s TYR 88 Ca 0.15 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1k42 s TYR 88 Cb -0.11 -0.71 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1k42 s TYR 88 CO 0.04 -0.22 -0.09 0.99 -1.57 0.00 0.00 175.55 174.71 1k42 s THR 89 N 1.05 0.70 0.16 -0.71 2.01 -1.04 -1.40 115.64 116.41 1k42 s THR 89 Ca -0.09 -1.36 -0.13 0.00 0.31 0.00 0.00 61.69 60.42 1k42 s THR 89 Cb -0.14 -0.99 0.01 0.00 0.01 0.00 0.00 72.50 71.39 1k42 s THR 89 CO -0.01 -0.49 0.36 -0.51 -0.69 0.00 0.00 174.62 173.29 1k42 s ILE 90 N -1.97 0.07 -0.08 1.82 2.07 -0.09 -1.32 121.20 121.69 1k42 s ILE 90 Ca -0.02 -1.04 0.01 0.00 -1.41 0.00 0.00 60.65 58.18 1k42 s ILE 90 Cb -0.06 -1.57 0.02 0.00 0.13 0.00 0.00 42.46 40.98 1k42 s ILE 90 CO -0.00 -0.30 -0.08 0.26 -1.91 0.00 0.00 174.94 172.91 1k42 s TRP 91 N -3.90 1.27 0.06 3.50 0.52 -0.29 -1.72 118.94 118.38 1k42 s TRP 91 Ca 0.11 -0.53 0.06 0.00 0.02 0.00 0.00 56.10 55.76 1k42 s TRP 91 Cb 0.02 -1.04 -0.04 0.00 -1.15 0.00 0.00 33.47 31.26 1k42 s TRP 91 CO -0.05 -0.36 -0.12 0.00 0.02 0.00 0.00 176.95 176.44 1k42 s ALA 92 N 1.26 2.85 -0.30 0.98 0.00 -1.14 -1.73 121.76 123.67 1k42 s ALA 92 Ca -0.04 -1.17 -0.11 0.00 0.00 0.00 0.00 51.96 50.64 1k42 s ALA 92 Cb -0.14 -0.90 0.14 0.00 0.00 0.00 0.00 23.12 22.22 1k42 s ALA 92 CO -0.03 0.61 0.73 0.50 0.00 0.00 0.00 175.76 177.57 1k42 s ARG 93 N -1.74 0.51 0.26 0.00 3.52 -0.70 -1.08 118.95 119.73 1k42 s ARG 93 Ca 0.18 1.28 0.07 0.00 -0.13 0.00 0.00 55.73 57.13 1k42 s ARG 93 Cb -0.11 0.77 -0.04 0.00 -1.56 0.00 0.00 34.95 34.01 1k42 s ARG 93 CO 0.09 -0.19 0.19 0.00 -0.81 0.00 0.00 175.30 174.59 1k42 s ALA 94 N 2.80 3.58 0.21 6.12 0.00 -1.03 -0.91 121.76 132.53 1k42 s ALA 94 Ca -0.04 -1.46 -0.09 0.00 0.00 0.00 0.00 51.96 50.37 1k42 s ALA 94 Cb -0.11 -1.25 0.27 0.00 0.00 0.00 0.00 23.12 22.03 1k42 s ALA 94 CO -0.19 0.23 1.77 1.49 0.00 0.00 0.00 175.76 179.06 1k42 h GLU 95 N 1.49 0.52 -6.70 0.00 4.22 -1.52 -3.37 114.58 109.22 1k42 h GLU 95 Ca -0.48 -0.03 -0.67 0.00 0.08 0.00 0.00 59.36 58.26 1k42 h GLU 95 Cb 1.24 -0.12 -0.19 0.00 0.50 0.00 0.00 28.75 30.19 1k42 h GLU 95 CO 0.60 0.34 -0.81 -1.14 -2.18 0.00 0.00 179.01 175.83 1k42 s GLN 96 N -6.09 1.68 0.41 1.92 0.74 -1.26 -4.83 119.66 112.24 1k42 s GLN 96 Ca -0.13 -1.31 -0.24 0.00 0.05 0.00 0.00 55.36 53.73 1k42 s GLN 96 Cb 0.17 -2.01 -0.09 0.00 1.10 0.00 0.00 33.01 32.18 1k42 s GLN 96 CO 0.75 0.45 1.09 0.16 -0.55 0.00 0.00 175.29 177.18 1k42 s ASP 97 N -2.35 6.59 0.00 6.67 -4.77 -1.26 -4.42 116.67 117.14 1k42 s ASP 97 Ca 0.19 2.12 0.00 0.00 -3.30 0.00 0.00 52.55 51.56 1k42 s ASP 97 Cb -0.10 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.14 1k42 s ASP 97 CO 0.10 -0.61 0.00 0.61 0.70 0.00 0.00 175.17 175.97 1k42 n GLY 98 N 0.37 1.21 3.28 2.12 0.00 -1.17 -4.94 105.19 106.06 1k42 n GLY 98 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 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 0.18 4.61 0.00 -1.18 -4.54 121.76 120.83 1k42 s ALA 99 Ca 0.00 -1.05 0.10 0.00 0.00 0.00 0.00 51.96 51.01 1k42 s ALA 99 Cb 0.00 -0.50 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 1k42 s ALA 99 CO 0.00 0.49 -0.14 0.08 0.00 0.00 0.00 175.76 176.18 1k42 s VAL 100 N -0.59 2.92 0.22 0.00 1.01 -1.06 -0.54 120.40 122.35 1k42 s VAL 100 Ca 0.09 -1.78 -0.17 0.00 0.00 0.00 0.00 61.98 60.13 1k42 s VAL 100 Cb -0.09 -2.43 0.02 0.00 0.00 0.00 0.00 36.38 33.88 1k42 s VAL 100 CO -0.01 -0.11 0.53 -0.69 0.00 0.00 0.00 175.10 174.82 1k42 s VAL 101 N -1.69 0.02 -0.03 2.92 1.01 -1.15 -4.51 120.40 116.96 1k42 s VAL 101 Ca 0.23 -0.97 0.01 0.00 0.00 0.00 0.00 61.98 61.25 1k42 s VAL 101 Cb -0.08 -1.78 0.02 0.00 0.00 0.00 0.00 36.38 34.54 1k42 s VAL 101 CO 0.13 -0.09 -0.02 -0.55 0.00 0.00 0.00 175.10 174.57 1k42 s SER 102 N -2.91 0.64 -0.29 3.32 0.15 -1.17 -1.80 113.70 111.63 1k42 s SER 102 Ca 0.13 -0.08 0.02 0.00 0.70 0.00 0.00 55.95 56.72 1k42 s SER 102 Cb -0.01 -0.30 0.08 0.00 -1.71 0.00 0.00 66.02 64.07 1k42 s SER 102 CO 0.01 -0.06 -0.00 -0.36 1.20 0.00 0.00 173.24 174.02 1k42 s PHE 103 N 0.85 3.08 0.42 3.44 0.40 -0.64 -0.42 117.98 125.11 1k42 s PHE 103 Ca -0.10 -2.41 0.07 0.00 -0.60 0.00 0.00 56.93 53.89 1k42 s PHE 103 Cb -0.13 -2.24 -0.06 0.00 0.51 0.00 0.00 43.02 41.10 1k42 s PHE 103 CO -0.01 -0.89 0.09 0.95 0.70 0.00 0.00 175.22 176.07 1k42 s THR 104 N 1.15 2.06 0.17 0.64 -4.23 -1.05 -1.37 115.64 113.01 1k42 s THR 104 Ca 0.03 -1.86 0.07 0.00 -1.18 0.00 0.00 61.69 58.75 1k42 s THR 104 Cb -0.19 -2.92 -0.04 0.00 1.34 0.00 0.00 72.50 70.69 1k42 s THR 104 CO -0.09 0.00 -0.15 0.68 -0.54 0.00 0.00 174.62 174.52 1k42 s VAL 105 N -2.68 1.61 0.00 2.29 -7.23 -1.14 -1.83 120.40 111.43 1k42 s VAL 105 Ca 0.36 -2.02 0.00 0.00 -1.81 0.00 0.00 61.98 58.50 1k42 s VAL 105 Cb 0.07 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 35.14 1k42 s VAL 105 CO 0.19 -0.51 0.00 0.61 -0.31 0.00 0.00 175.10 175.08 1k42 n GLY 106 N -0.01 2.13 0.00 2.32 0.00 -0.90 -2.57 105.19 106.17 1k42 n GLY 106 Ca -0.11 0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1k42 n GLY 106 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1k42 n ASN 107 N 0.00 -0.30 -0.25 1.61 0.23 -1.11 -1.67 115.26 113.78 1k42 n ASN 107 Ca 0.00 -0.84 0.00 0.00 -0.53 0.00 0.00 54.58 53.21 1k42 n ASN 107 Cb 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.70 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 -1.14 0.86 -0.08 -3.83 3.00 -1.26 -2.82 117.38 112.11 1k42 n GLN 108 Ca 0.00 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.03 1k42 n GLN 108 Cb 0.00 -1.21 0.08 0.00 0.00 0.00 0.00 30.24 29.11 1k42 n GLN 108 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 1k42 n SER 109 N -0.22 2.27 -0.08 1.08 7.64 -1.26 -4.95 113.62 118.10 1k42 n SER 109 Ca 0.00 -1.75 -0.01 0.00 1.01 0.00 0.00 58.87 58.12 1k42 n SER 109 Cb 0.11 -0.10 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.28 0.00 -2.94 1.43 3.72 -1.13 -4.97 117.46 113.86 1k42 n PHE 110 Ca 0.07 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.03 1k42 n PHE 110 Cb 0.31 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.32 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 -1.16 3.38 0.24 -1.08 -1.52 -1.26 -4.91 119.66 113.34 1k42 s GLN 111 Ca 0.00 -1.44 -0.26 0.00 -1.95 0.00 0.00 55.36 51.72 1k42 s GLN 111 Cb 0.00 -4.61 -0.09 0.00 -0.22 0.00 0.00 33.01 28.09 1k42 s GLN 111 CO 0.00 -1.75 0.87 -2.00 -0.25 0.00 0.00 175.29 172.16 1k42 s GLU 112 N 3.05 4.61 -0.00 2.91 2.12 -1.26 -2.75 118.70 127.37 1k42 s GLU 112 Ca 0.26 1.26 -0.01 0.00 0.36 0.00 0.00 54.97 56.84 1k42 s GLU 112 Cb -0.11 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 31.21 1k42 s GLU 112 CO -0.01 0.44 -0.02 0.66 -0.54 0.00 0.00 175.26 175.79 1k42 n TYR 113 N 1.10 0.00 -2.45 5.30 4.01 -1.06 -4.92 117.16 119.15 1k42 n TYR 113 Ca -0.02 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.47 1k42 n TYR 113 Cb 0.49 -0.03 0.12 0.00 -0.31 0.00 0.00 39.34 39.62 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 -3.14 1.76 -0.30 2.72 0.00 -1.26 -4.95 107.32 102.15 1k42 s GLY 114 Ca -0.01 -1.61 -0.21 0.00 0.00 0.00 0.00 44.72 42.88 1k42 s GLY 114 CO 0.02 -1.00 1.34 1.09 0.00 0.00 0.00 173.10 174.55 1k42 s ARG 115 N -5.30 0.08 -0.43 2.90 1.70 -1.26 -2.87 118.95 113.78 1k42 s ARG 115 Ca 0.68 0.12 0.07 0.00 -0.47 0.00 0.00 55.73 56.13 1k42 s ARG 115 Cb -0.05 0.03 0.25 0.00 -0.57 0.00 0.00 34.95 34.61 1k42 s ARG 115 CO 0.46 -0.01 0.66 1.28 -1.08 0.00 0.00 175.30 176.61 1k42 n LEU 116 N 2.26 -0.96 -4.85 -1.89 4.77 -0.47 -4.95 117.00 110.91 1k42 n LEU 116 Ca -0.13 -4.19 -0.37 0.00 -0.03 0.00 0.00 56.01 51.29 1k42 n LEU 116 Cb 0.57 0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 42.31 1k42 n LEU 116 CO 0.03 2.05 0.09 -2.28 -1.33 0.00 0.00 177.39 175.95 1k42 s HIS 117 N -0.50 3.68 0.00 -1.77 2.46 -1.26 -1.62 115.29 116.28 1k42 s HIS 117 Ca 0.34 0.92 0.00 0.00 0.47 0.00 0.00 55.06 56.79 1k42 s HIS 117 Cb 0.19 -2.24 0.00 0.00 -0.13 0.00 0.00 32.58 30.41 1k42 s HIS 117 CO -0.16 0.61 0.00 -1.91 -2.47 0.00 0.00 174.74 170.81 1k42 n GLU 118 N 1.54 0.00 -3.06 2.88 2.13 -1.06 -4.97 120.64 118.10 1k42 n GLU 118 Ca -0.12 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.29 1k42 n GLU 118 Cb 0.52 -2.51 -0.06 0.00 0.27 0.00 0.00 31.44 29.67 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 -4.20 4.14 0.37 5.31 -1.52 -0.75 -4.90 119.66 118.11 1k42 s GLN 119 Ca 0.00 0.64 -0.28 0.00 -1.95 0.00 0.00 55.36 53.78 1k42 s GLN 119 Cb 0.00 -3.64 -0.10 0.00 -0.22 0.00 0.00 33.01 29.05 1k42 s GLN 119 CO 0.00 -0.42 1.33 -0.65 -0.25 0.00 0.00 175.29 175.30 1k42 s GLN 120 N 2.52 4.17 -0.08 2.91 -0.21 -1.26 -2.96 119.66 124.76 1k42 s GLN 120 Ca 0.28 2.25 0.03 0.00 0.02 0.00 0.00 55.36 57.94 1k42 s GLN 120 Cb -0.15 -2.94 0.01 0.00 1.00 0.00 0.00 33.01 30.93 1k42 s GLN 120 CO 0.08 -0.35 -0.16 0.42 -2.12 0.00 0.00 175.29 173.16 1k42 s ILE 121 N -1.18 1.44 0.70 1.08 -1.09 0.30 -4.97 121.20 117.48 1k42 s ILE 121 Ca 0.52 -0.66 -0.03 0.00 -2.23 0.00 0.00 60.65 58.26 1k42 s ILE 121 Cb -0.40 -1.29 0.15 0.00 -1.58 0.00 0.00 42.46 39.34 1k42 s ILE 121 CO 0.53 0.42 0.96 0.35 -1.23 0.00 0.00 174.94 175.98 1k42 n THR 122 N 3.75 0.00 1.15 2.92 -2.24 -1.26 -3.06 114.28 115.54 1k42 n THR 122 Ca -0.21 -1.31 0.10 0.00 -2.27 0.00 0.00 64.05 60.36 1k42 n THR 122 Cb 0.52 -1.07 0.57 0.00 -2.10 0.00 0.00 70.33 68.25 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 -2.91 0.15 -3.50 4.28 -2.24 -1.26 -2.48 114.28 106.33 1k42 n THR 123 Ca 0.15 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 1k42 n THR 123 Cb 0.53 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.10 1.88 -3.32 -0.78 4.71 -1.26 -4.37 120.64 116.39 1k42 n GLU 124 Ca 0.13 0.00 -0.38 0.00 -0.01 0.00 0.00 57.16 56.90 1k42 n GLU 124 Cb 0.10 0.00 -0.06 0.00 -1.01 0.00 0.00 31.44 30.47 1k42 n GLU 124 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1k42 s TRP 125 N -0.04 3.52 -0.22 -0.32 0.52 -1.25 -3.55 118.94 117.60 1k42 s TRP 125 Ca 0.00 0.89 -0.05 0.00 0.02 0.00 0.00 56.10 56.96 1k42 s TRP 125 Cb 0.00 -2.54 -0.02 0.00 -1.15 0.00 0.00 33.47 29.76 1k42 s TRP 125 CO 0.00 0.18 -0.00 -0.65 0.02 0.00 0.00 176.95 176.50 1k42 s GLN 126 N 0.58 3.52 -0.73 4.98 -1.52 -0.24 -4.83 119.66 121.42 1k42 s GLN 126 Ca 0.26 -0.56 -0.27 0.00 -1.95 0.00 0.00 55.36 52.84 1k42 s GLN 126 Cb -0.15 -3.11 0.03 0.00 -0.22 0.00 0.00 33.01 29.56 1k42 s GLN 126 CO 0.10 -0.13 1.27 -1.25 -0.25 0.00 0.00 175.29 175.03 1k42 s PRO 127 N 1.36 3.21 -0.08 2.91 0.04 -1.26 -2.90 135.00 138.28 1k42 s PRO 127 Ca 0.04 -0.22 0.00 0.00 0.04 0.00 0.00 61.00 60.87 1k42 s PRO 127 Cb -0.15 -4.17 -0.03 0.00 0.04 0.00 0.00 34.50 30.20 1k42 s PRO 127 CO 0.00 -2.11 -0.08 -0.06 0.04 0.00 0.00 177.00 174.79 1k42 s PHE 128 N 5.65 2.92 0.30 0.56 0.08 -0.70 -4.93 117.98 121.86 1k42 s PHE 128 Ca 0.35 -0.09 0.00 0.00 0.12 0.00 0.00 56.93 57.31 1k42 s PHE 128 Cb -0.08 -1.75 -0.02 0.00 -0.57 0.00 0.00 43.02 40.60 1k42 s PHE 128 CO 0.16 0.23 0.34 -0.08 -0.10 0.00 0.00 175.22 175.76 1k42 s THR 129 N -0.55 0.00 0.02 0.64 -1.32 -1.26 -0.91 115.64 112.26 1k42 s THR 129 Ca 0.08 -1.79 -0.29 0.00 -1.21 0.00 0.00 61.69 58.48 1k42 s THR 129 Cb -0.12 -2.53 0.11 0.00 -1.51 0.00 0.00 72.50 68.46 1k42 s THR 129 CO 0.02 0.00 1.22 0.72 -2.21 0.00 0.00 174.62 174.37 1k42 s PHE 130 N -3.49 -0.05 -0.04 9.09 -0.71 -0.50 -4.99 117.98 117.30 1k42 s PHE 130 Ca 0.35 -0.10 -0.05 0.00 -1.04 0.00 0.00 56.93 56.09 1k42 s PHE 130 Cb 0.02 0.57 0.01 0.00 -1.21 0.00 0.00 43.02 42.41 1k42 s PHE 130 CO 0.20 -0.39 0.12 -1.21 -1.34 0.00 0.00 175.22 172.60 1k42 s GLU 131 N -2.53 0.22 0.22 1.99 2.02 -1.26 -1.77 118.70 117.58 1k42 s GLU 131 Ca 0.15 0.04 -0.12 0.00 0.02 0.00 0.00 54.97 55.06 1k42 s GLU 131 Cb 0.03 0.10 -0.00 0.00 0.10 0.00 0.00 34.13 34.36 1k42 s GLU 131 CO -0.02 -0.04 0.43 -0.59 0.02 0.00 0.00 175.26 175.06 1k42 s PHE 132 N -0.25 0.32 0.09 1.61 -0.12 -1.23 -4.92 117.98 113.48 1k42 s PHE 132 Ca -0.03 -0.67 0.10 0.00 -0.05 0.00 0.00 56.93 56.27 1k42 s PHE 132 Cb -0.02 0.14 -0.03 0.00 -0.63 0.00 0.00 43.02 42.47 1k42 s PHE 132 CO 0.00 -0.91 -0.25 -0.08 -0.05 0.00 0.00 175.22 173.93 1k42 s THR 133 N -3.99 2.30 -0.45 -4.49 -1.32 -1.26 -2.79 115.64 103.65 1k42 s THR 133 Ca 0.20 -1.54 -0.41 0.00 -1.21 0.00 0.00 61.69 58.72 1k42 s THR 133 Cb 0.00 -1.97 -0.17 0.00 -1.51 0.00 0.00 72.50 68.86 1k42 s THR 133 CO 0.05 0.22 2.13 0.52 -2.21 0.00 0.00 174.62 175.34 1k42 n VAL 134 N 1.31 0.06 0.06 5.08 0.31 -1.26 -4.78 118.33 119.11 1k42 n VAL 134 Ca -0.17 -0.08 -0.12 0.00 -0.01 0.00 0.00 64.34 63.96 1k42 n VAL 134 Cb 0.52 -0.86 -0.06 0.00 -0.91 0.00 0.00 33.84 32.53 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 9.91 -0.20 0.00 4.52 0.87 -1.94 -3.43 113.55 123.27 1k42 h SER 135 Ca -0.17 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 1k42 h SER 135 Cb 1.39 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 63.43 1k42 h SER 135 CO 1.06 -0.11 0.00 0.47 -0.53 0.00 0.00 176.83 177.72 1k42 n ASP 136 N -5.19 0.00 -2.71 6.23 8.00 -1.26 -5.04 116.55 116.57 1k42 n ASP 136 Ca -0.06 0.00 -0.08 0.00 0.71 0.00 0.00 54.79 55.36 1k42 n ASP 136 Cb 0.12 0.00 0.10 0.00 -0.02 0.00 0.00 41.12 41.32 1k42 n ASP 136 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1k42 n GLN 137 N 0.00 1.05 -3.27 -1.24 6.02 -1.26 -4.93 117.38 113.76 1k42 n GLN 137 Ca 0.00 -1.81 -0.42 0.00 -0.01 0.00 0.00 57.00 54.75 1k42 n GLN 137 Cb 0.00 -0.53 -0.08 0.00 1.02 0.00 0.00 30.24 30.65 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 0.23 3.32 0.15 -1.09 0.41 -1.26 -4.89 118.70 115.57 1k42 s GLU 138 Ca 0.21 -0.49 0.27 0.00 -0.41 0.00 0.00 54.97 54.55 1k42 s GLU 138 Cb 0.33 -3.90 0.93 0.00 -1.78 0.00 0.00 34.13 29.71 1k42 s GLU 138 CO -0.07 -0.79 1.81 0.25 -0.49 0.00 0.00 175.26 175.97 1k42 n THR 139 N 5.50 0.46 -4.26 3.63 -2.24 -1.26 -4.61 114.28 111.49 1k42 n THR 139 Ca -0.06 -0.18 -0.19 0.00 -2.27 0.00 0.00 64.05 61.36 1k42 n THR 139 Cb 0.48 -0.59 -0.15 0.00 -2.10 0.00 0.00 70.33 67.96 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 -3.08 0.60 0.24 2.28 1.01 -1.26 -1.44 120.40 118.75 1k42 s VAL 140 Ca 0.11 -0.27 -0.03 0.00 0.00 0.00 0.00 61.98 61.80 1k42 s VAL 140 Cb 0.14 -0.54 -0.03 0.00 0.00 0.00 0.00 36.38 35.95 1k42 s VAL 140 CO 0.57 0.19 0.26 0.27 0.00 0.00 0.00 175.10 176.39 1k42 s ILE 141 N 0.19 0.00 -0.03 2.22 -5.25 -1.08 -4.54 121.20 112.71 1k42 s ILE 141 Ca -0.02 -1.83 -0.01 0.00 -0.99 0.00 0.00 60.65 57.79 1k42 s ILE 141 Cb -0.07 -2.45 0.03 0.00 2.95 0.00 0.00 42.46 42.92 1k42 s ILE 141 CO 0.00 0.00 0.07 0.00 -1.79 0.00 0.00 174.94 173.22 1k42 s ARG 142 N -3.94 0.02 -0.44 0.37 1.70 -0.67 -1.71 118.95 114.29 1k42 s ARG 142 Ca 0.35 0.21 -0.19 0.00 -0.47 0.00 0.00 55.73 55.63 1k42 s ARG 142 Cb 0.04 -0.16 0.03 0.00 -0.57 0.00 0.00 34.95 34.28 1k42 s ARG 142 CO 0.14 -0.13 0.55 0.00 -1.08 0.00 0.00 175.30 174.78 1k42 s ALA 143 N 0.85 3.38 -0.43 7.88 0.00 -1.03 -2.11 121.76 130.31 1k42 s ALA 143 Ca -0.07 -1.39 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1k42 s ALA 143 Cb -0.10 -3.19 0.02 0.00 0.00 0.00 0.00 23.12 19.85 1k42 s ALA 143 CO -0.03 -1.72 1.28 -1.25 0.00 0.00 0.00 175.76 174.05 1k42 s PRO 144 N 2.50 3.68 -0.22 0.00 0.04 -0.76 -1.79 135.00 138.44 1k42 s PRO 144 Ca 0.17 0.82 -0.15 0.00 0.04 0.00 0.00 61.00 61.88 1k42 s PRO 144 Cb -0.16 -3.96 -0.04 0.00 0.04 0.00 0.00 34.50 30.38 1k42 s PRO 144 CO 0.16 -1.44 0.37 0.42 0.04 0.00 0.00 177.00 176.55 1k42 s ILE 145 N 4.91 5.21 0.33 0.56 1.01 0.07 -2.54 121.20 130.76 1k42 s ILE 145 Ca 0.55 0.63 -0.17 0.00 0.00 0.00 0.00 60.65 61.66 1k42 s ILE 145 Cb -0.11 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 1k42 s ILE 145 CO 0.31 0.24 0.78 -1.00 0.00 0.00 0.00 174.94 175.27 1k42 s HIS 146 N 1.45 3.39 0.10 3.97 3.76 0.44 -0.98 115.29 127.43 1k42 s HIS 146 Ca 0.17 1.32 -0.18 0.00 -0.15 0.00 0.00 55.06 56.22 1k42 s HIS 146 Cb -0.15 -2.61 0.04 0.00 1.11 0.00 0.00 32.58 30.97 1k42 s HIS 146 CO 0.08 0.08 0.44 -0.06 -0.85 0.00 0.00 174.74 174.42 1k42 s PHE 147 N -1.97 -0.28 0.00 1.40 0.08 0.58 -3.04 117.98 114.75 1k42 s PHE 147 Ca 0.55 0.06 0.00 0.00 0.12 0.00 0.00 56.93 57.66 1k42 s PHE 147 Cb -0.11 0.29 0.00 0.00 -0.57 0.00 0.00 43.02 42.64 1k42 s PHE 147 CO 0.17 -0.69 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 1k42 n GLY 148 N -0.04 1.12 3.61 4.36 0.00 -1.24 -1.80 105.19 111.21 1k42 n GLY 148 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 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 2.65 0.38 1.61 2.02 -1.26 -4.50 117.35 116.24 1k42 s TYR 149 Ca 0.00 -0.23 0.19 0.00 -0.37 0.00 0.00 57.07 56.66 1k42 s TYR 149 Cb 0.00 -1.21 1.05 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 0.00 175.55 176.52 1k42 h ALA 150 N 2.27 1.37 0.00 3.71 0.00 -1.97 -1.12 119.26 123.52 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 0.58 0.29 0.00 0.00 0.00 0.00 0.00 179.25 180.13 1k42 n ALA 151 N -2.39 1.69 -0.30 0.00 0.00 -1.26 -1.65 120.51 116.61 1k42 n ALA 151 Ca -0.02 0.09 0.07 0.00 0.00 0.00 0.00 53.44 53.58 1k42 n ALA 151 Cb 0.32 -1.40 0.18 0.00 0.00 0.00 0.00 19.45 18.55 1k42 n ALA 151 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1k42 n ASN 152 N -2.29 3.18 -4.91 0.00 3.02 -0.45 -2.57 115.26 111.24 1k42 n ASN 152 Ca 0.02 -2.13 -0.27 0.00 -0.03 0.00 0.00 54.58 52.17 1k42 n ASN 152 Cb 0.24 -0.30 0.03 0.00 -0.61 0.00 0.00 39.78 39.14 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 -1.23 3.87 -1.24 2.41 1.01 -0.66 -4.01 120.40 120.56 1k42 s VAL 153 Ca 0.28 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.33 1k42 s VAL 153 Cb 0.16 -3.53 0.02 0.00 0.00 0.00 0.00 36.38 33.03 1k42 s VAL 153 CO 0.17 -0.56 0.18 0.61 0.00 0.00 0.00 175.10 175.50 1k42 n GLY 154 N -2.57 -0.50 3.63 4.51 0.00 -0.76 -4.91 105.19 104.60 1k42 n GLY 154 Ca 0.04 0.04 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.26 -0.74 -0.23 1.61 -0.87 -1.05 -4.97 114.94 106.43 1k42 s ASN 155 Ca 0.12 1.41 -0.22 0.00 -1.57 0.00 0.00 52.86 52.60 1k42 s ASN 155 Cb -0.06 1.42 -0.01 0.00 -0.02 0.00 0.00 41.25 42.57 1k42 s ASN 155 CO 0.15 -0.24 0.72 -0.89 -2.57 0.00 0.00 177.10 174.27 1k42 s THR 156 N 0.45 4.93 -0.29 1.60 2.01 -1.26 -2.66 115.64 120.41 1k42 s THR 156 Ca -0.00 1.36 -0.10 0.00 0.31 0.00 0.00 61.69 63.25 1k42 s THR 156 Cb -0.05 -4.02 -0.03 0.00 0.01 0.00 0.00 72.50 68.40 1k42 s THR 156 CO -0.01 0.01 0.17 -0.63 -0.69 0.00 0.00 174.62 173.48 1k42 s ILE 157 N 2.45 5.00 -0.08 1.82 1.01 0.12 -1.36 121.20 130.15 1k42 s ILE 157 Ca 0.31 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.77 1k42 s ILE 157 Cb -0.16 -3.44 -0.05 0.00 0.01 0.00 0.00 42.46 38.82 1k42 s ILE 157 CO 0.09 0.18 0.25 -0.31 0.00 0.00 0.00 174.94 175.15 1k42 s TYR 158 N 1.70 3.63 -0.01 3.97 1.51 -0.09 -1.12 117.35 126.94 1k42 s TYR 158 Ca 0.06 0.70 0.04 0.00 -1.01 0.00 0.00 57.07 56.86 1k42 s TYR 158 Cb -0.16 -2.11 -0.01 0.00 -0.11 0.00 0.00 41.96 39.57 1k42 s TYR 158 CO 0.09 0.65 -0.12 0.42 -1.11 0.00 0.00 175.55 175.47 1k42 s ILE 159 N -0.87 0.99 -0.29 2.71 1.01 -0.82 -1.71 121.20 122.22 1k42 s ILE 159 Ca 0.18 -0.53 -0.21 0.00 0.00 0.00 0.00 60.65 60.08 1k42 s ILE 159 Cb -0.14 -0.83 0.17 0.00 0.01 0.00 0.00 42.46 41.67 1k42 s ILE 159 CO 0.07 0.28 1.21 -0.62 0.00 0.00 0.00 174.94 175.88 1k42 s ASP 160 N -0.27 -0.25 0.00 3.58 -1.08 -0.71 -1.77 116.67 116.17 1k42 s ASP 160 Ca 0.04 0.45 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1k42 s ASP 160 Cb -0.05 0.71 0.00 0.00 -1.46 0.00 0.00 42.92 42.12 1k42 s ASP 160 CO -0.00 -0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.22 1k42 n GLY 161 N 2.46 1.01 3.56 2.66 0.00 -1.14 -1.13 105.19 112.60 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 1.92 -4.40 0.99 7.94 -1.23 -3.58 117.00 118.63 1k42 n LEU 162 Ca 0.00 -1.18 -0.30 0.00 -1.11 0.00 0.00 56.01 53.41 1k42 n LEU 162 Cb 0.00 -1.63 -0.13 0.00 0.53 0.00 0.00 43.42 42.19 1k42 n LEU 162 CO 0.00 -2.30 -0.53 0.00 -1.11 0.00 0.00 177.39 173.44 1k42 s ALA 163 N 13.91 2.43 -0.06 1.96 0.00 -0.44 -3.94 121.76 135.63 1k42 s ALA 163 Ca 0.95 -1.27 0.01 0.00 0.00 0.00 0.00 51.96 51.65 1k42 s ALA 163 Cb -0.16 -0.58 0.02 0.00 0.00 0.00 0.00 23.12 22.40 1k42 s ALA 163 CO 0.14 0.55 -0.06 0.42 0.00 0.00 0.00 175.76 176.82 1k42 s ILE 164 N -0.91 0.71 0.29 0.00 1.01 -1.26 -2.49 121.20 118.55 1k42 s ILE 164 Ca 0.14 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 60.62 1k42 s ILE 164 Cb -0.10 -0.72 -0.05 0.00 0.01 0.00 0.00 42.46 41.60 1k42 s ILE 164 CO 0.04 0.28 0.10 0.00 0.00 0.00 0.00 174.94 175.36 1k42 s ALA 165 N 1.09 1.97 -0.29 9.38 0.00 -0.67 -0.69 121.76 132.55 1k42 s ALA 165 Ca -0.08 -1.85 0.14 0.00 0.00 0.00 0.00 51.96 50.17 1k42 s ALA 165 Cb -0.14 0.97 -0.18 0.00 0.00 0.00 0.00 23.12 23.76 1k42 s ALA 165 CO -0.01 -0.43 0.42 -1.13 0.00 0.00 0.00 175.76 174.61 1k42 n SER 166 N -0.64 1.32 -4.24 0.00 3.41 -1.26 -1.25 113.62 110.96 1k42 n SER 166 Ca -0.01 -0.36 -0.14 0.00 -0.26 0.00 0.00 58.87 58.11 1k42 n SER 166 Cb 0.66 1.35 -0.10 0.00 -0.26 0.00 0.00 64.21 65.86 1k42 n SER 166 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1k42 s GLN 167 N -2.65 1.08 0.00 4.33 -1.52 -1.26 -4.61 119.66 115.03 1k42 s GLN 167 Ca -0.01 -1.50 0.29 0.00 -1.95 0.00 0.00 55.36 52.19 1k42 s GLN 167 Cb 0.09 -0.35 1.73 0.00 -0.22 0.00 0.00 33.01 34.26 1k42 s GLN 167 CO 0.56 -0.08 2.06 -0.35 -0.25 0.00 0.00 175.29 177.24