#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k42 h LEU 2 N 0.00 0.00 0.00 -0.89 3.38 -2.04 -3.49 115.31 112.27 1k42 h LEU 2 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1k42 h LEU 2 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1k42 h LEU 2 CO 0.00 0.29 0.00 0.55 0.09 0.00 0.00 178.44 179.37 1k42 n VAL 3 N -3.24 0.00 0.20 1.22 3.14 -1.26 -4.22 118.33 114.17 1k42 n VAL 3 Ca 0.02 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.31 1k42 n VAL 3 Cb 0.59 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.33 1k42 n VAL 3 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1k42 h ALA 4 N -0.19 -0.61 -2.08 1.55 0.00 -1.71 -3.46 119.26 112.76 1k42 h ALA 4 Ca 0.00 -0.12 -0.43 0.00 0.00 0.00 0.00 54.91 54.35 1k42 h ALA 4 Cb 0.00 0.22 0.17 0.00 0.00 0.00 0.00 17.79 18.18 1k42 h ALA 4 CO 0.00 -0.57 0.28 0.54 0.00 0.00 0.00 179.25 179.50 1k42 s ASN 5 N -4.56 2.21 -0.03 0.00 4.22 -1.26 -2.03 114.94 113.49 1k42 s ASN 5 Ca -0.08 0.51 0.04 0.00 -2.14 0.00 0.00 52.86 51.19 1k42 s ASN 5 Cb 0.01 -0.71 -0.00 0.00 1.28 0.00 0.00 41.25 41.83 1k42 s ASN 5 CO 0.24 -3.32 -0.14 -0.63 -2.04 0.00 0.00 177.10 171.21 1k42 s ILE 6 N -3.43 1.19 -1.24 0.54 1.09 -1.23 -4.82 121.20 113.30 1k42 s ILE 6 Ca 0.71 -0.60 -0.22 0.00 -1.10 0.00 0.00 60.65 59.44 1k42 s ILE 6 Cb -0.08 -1.02 0.02 0.00 -1.06 0.00 0.00 42.46 40.32 1k42 s ILE 6 CO 0.54 0.35 0.63 0.59 -0.10 0.00 0.00 174.94 176.95 1k42 n ASN 7 N 3.05 -3.59 -0.27 3.58 3.02 -1.26 -4.07 115.26 115.72 1k42 n ASN 7 Ca -0.17 -1.16 -0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1k42 n ASN 7 Cb 0.54 -2.47 0.12 0.00 -0.61 0.00 0.00 39.78 37.36 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 1k42 h GLY 8 N -2.19 1.15 -3.44 7.41 0.00 -1.87 -1.50 103.07 102.63 1k42 h GLY 8 Ca -0.68 -0.33 -0.49 0.00 0.00 0.00 0.00 47.33 45.83 1k42 h GLY 8 CO 0.54 0.21 0.22 0.61 0.00 0.00 0.00 176.54 178.12 1k42 n GLY 9 N -1.31 5.50 2.97 4.60 0.00 -1.26 -4.14 105.19 111.56 1k42 n GLY 9 Ca 0.11 -1.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.97 -1.91 -0.08 1.61 3.01 -0.57 -2.86 117.46 115.69 1k42 n PHE 10 Ca 0.51 0.74 -0.15 0.00 1.01 0.00 0.00 57.45 59.56 1k42 n PHE 10 Cb 1.01 -4.21 -0.12 0.00 -0.01 0.00 0.00 39.48 36.14 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 -1.25 0.00 -0.30 -1.08 5.08 -1.82 -3.37 114.58 111.84 1k42 h GLU 11 Ca -0.49 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.74 1k42 h GLU 11 Cb 1.27 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 1k42 h GLU 11 CO 0.39 0.95 -0.31 1.03 -1.00 0.00 0.00 179.01 180.06 1k42 h SER 12 N -1.00 0.80 -2.85 1.42 0.87 -1.93 -3.42 113.55 107.44 1k42 h SER 12 Ca -0.08 -0.48 -0.54 0.00 -1.23 0.00 0.00 61.79 59.47 1k42 h SER 12 Cb 1.02 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.77 1k42 h SER 12 CO -0.05 1.11 0.88 -0.89 -0.53 0.00 0.00 176.83 177.35 1k42 s THR 13 N -4.34 3.44 0.38 2.23 2.01 -1.26 -4.97 115.64 113.12 1k42 s THR 13 Ca -0.12 0.87 -0.24 0.00 0.31 0.00 0.00 61.69 62.51 1k42 s THR 13 Cb 0.09 -3.56 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 1k42 s THR 13 CO 0.84 0.01 1.01 -2.16 -0.69 0.00 0.00 174.62 173.63 1k42 s PRO 14 N 2.32 4.27 1.01 4.92 0.04 -1.26 -4.91 135.00 141.39 1k42 s PRO 14 Ca 0.67 1.42 -0.22 0.00 0.04 0.00 0.00 61.00 62.91 1k42 s PRO 14 Cb -0.35 -2.56 -0.13 0.00 0.04 0.00 0.00 34.50 31.50 1k42 s PRO 14 CO 0.29 -0.03 -0.99 0.00 0.04 0.00 0.00 177.00 176.31 1k42 n ALA 15 N 0.01 -5.33 0.00 8.56 0.00 -1.26 -4.90 120.51 117.59 1k42 n ALA 15 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 53.44 52.42 1k42 n ALA 15 Cb 0.50 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.89 1k42 n ALA 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k42 n GLY 16 N 3.22 4.24 3.71 0.00 0.00 -1.18 -4.93 105.19 110.25 1k42 n GLY 16 Ca -0.01 -1.09 -0.42 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.58 2.03 -3.04 1.61 3.14 -1.26 -2.88 118.33 117.35 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 -1.65 -0.06 0.00 -1.06 0.00 0.00 33.84 31.07 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 -1.10 4.49 -0.05 1.55 1.01 -0.47 -4.89 120.40 120.94 1k42 s VAL 18 Ca 0.55 1.42 0.06 0.00 0.00 0.00 0.00 61.98 64.01 1k42 s VAL 18 Cb -0.55 -3.92 -0.09 0.00 0.00 0.00 0.00 36.38 31.82 1k42 s VAL 18 CO 0.62 0.26 0.06 0.35 0.00 0.00 0.00 175.10 176.39 1k42 n THR 19 N 0.86 0.32 -3.49 3.92 -2.24 -1.26 -4.82 114.28 107.57 1k42 n THR 19 Ca -0.02 -0.24 -0.27 0.00 -2.27 0.00 0.00 64.05 61.24 1k42 n THR 19 Cb 0.51 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 68.15 1k42 n THR 19 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1k42 n ASP 20 N -2.10 0.82 -0.46 3.42 8.00 -1.26 -4.95 116.55 120.02 1k42 n ASP 20 Ca -0.08 -2.71 0.39 0.00 0.71 0.00 0.00 54.79 53.10 1k42 n ASP 20 Cb 0.56 -0.63 0.72 0.00 -0.02 0.00 0.00 41.12 41.75 1k42 n ASP 20 CO 0.00 0.00 0.00 0.17 -0.39 0.00 0.00 177.20 176.98 1k42 h LEU 21 N 5.22 0.12 -0.09 0.64 8.10 -1.87 1.77 115.31 129.19 1k42 h LEU 21 Ca 0.21 0.04 -0.05 0.00 0.11 0.00 0.00 57.88 58.18 1k42 h LEU 21 Cb 0.85 0.03 0.00 0.00 -0.44 0.00 0.00 40.66 41.10 1k42 h LEU 21 CO 0.51 -0.03 -0.16 0.00 -4.11 0.00 0.00 178.44 174.65 1k42 h ALA 22 N 1.37 0.14 -0.70 0.17 0.00 -1.92 -2.53 119.26 115.79 1k42 h ALA 22 Ca 0.73 -0.35 -0.49 0.00 0.00 0.00 0.00 54.91 54.80 1k42 h ALA 22 Cb 2.66 -0.02 -0.34 0.00 0.00 0.00 0.00 17.79 20.09 1k42 h ALA 22 CO -0.14 0.05 -0.40 -0.85 0.00 0.00 0.00 179.25 177.90 1k42 n GLU 23 N -4.58 3.10 0.00 0.00 0.28 0.16 -4.80 120.64 114.79 1k42 n GLU 23 Ca -0.07 -3.83 0.00 0.00 -0.16 0.00 0.00 57.16 53.09 1k42 n GLU 23 Cb 0.38 -2.18 0.00 0.00 1.43 0.00 0.00 31.44 31.07 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 -0.83 -0.21 3.52 -1.84 0.00 0.55 -4.81 105.19 101.57 1k42 n GLY 24 Ca 0.45 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.23 4.90 0.25 1.61 1.01 -1.25 -4.93 120.40 121.76 1k42 s VAL 25 Ca 0.00 0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.02 1k42 s VAL 25 Cb 0.00 -4.14 0.26 0.00 0.00 0.00 0.00 36.38 32.50 1k42 s VAL 25 CO 0.00 -0.50 1.93 -0.08 0.00 0.00 0.00 175.10 176.45 1k42 h GLU 26 N 8.77 1.31 -0.27 2.72 4.81 -1.92 -2.10 114.58 127.90 1k42 h GLU 26 Ca -0.26 -0.08 -0.10 0.00 -0.13 0.00 0.00 59.36 58.79 1k42 h GLU 26 Cb 1.10 -0.30 -0.01 0.00 0.63 0.00 0.00 28.75 30.17 1k42 h GLU 26 CO 0.86 0.87 -0.26 0.78 -0.73 0.00 0.00 179.01 180.52 1k42 h GLY 27 N 1.35 0.57 -6.19 1.92 0.00 -1.71 -3.40 103.07 95.61 1k42 h GLY 27 Ca 0.37 -0.48 -0.51 0.00 0.00 0.00 0.00 47.33 46.71 1k42 h GLY 27 CO -0.08 0.44 -0.81 -0.98 0.00 0.00 0.00 176.54 175.11 1k42 s TRP 28 N -4.49 1.39 -0.02 5.60 0.52 -0.79 -1.55 118.94 119.60 1k42 s TRP 28 Ca -0.07 -0.57 0.05 0.00 0.02 0.00 0.00 56.10 55.53 1k42 s TRP 28 Cb 0.14 -1.09 -0.03 0.00 -1.15 0.00 0.00 33.47 31.34 1k42 s TRP 28 CO 0.80 -0.35 -0.17 -0.51 0.02 0.00 0.00 176.95 176.74 1k42 s ASP 29 N 1.08 3.82 0.32 2.95 1.01 -0.35 -3.85 116.67 121.65 1k42 s ASP 29 Ca -0.07 -0.29 0.10 0.00 0.71 0.00 0.00 52.55 52.99 1k42 s ASP 29 Cb -0.14 -0.71 -0.05 0.00 1.01 0.00 0.00 42.92 43.02 1k42 s ASP 29 CO -0.01 0.32 -0.03 -0.76 0.21 0.00 0.00 175.17 174.90 1k42 s LEU 30 N -0.89 2.95 -0.24 1.23 1.43 -0.95 -1.22 118.68 120.98 1k42 s LEU 30 Ca 0.12 -0.94 -0.10 0.00 -1.03 0.00 0.00 54.13 52.18 1k42 s LEU 30 Cb -0.10 -1.36 0.10 0.00 0.03 0.00 0.00 46.19 44.85 1k42 s LEU 30 CO 0.01 -0.15 0.55 0.20 0.23 0.00 0.00 176.35 177.19 1k42 s ASN 31 N -3.67 -0.73 -0.15 2.29 0.01 -0.42 -3.84 114.94 108.43 1k42 s ASN 31 Ca 0.33 1.28 -0.07 0.00 -0.71 0.00 0.00 52.86 53.69 1k42 s ASN 31 Cb -0.02 1.61 -0.04 0.00 0.41 0.00 0.00 41.25 43.21 1k42 s ASN 31 CO 0.19 -0.22 0.08 0.68 -1.51 0.00 0.00 177.10 176.31 1k42 s VAL 32 N 2.37 4.95 0.37 1.60 -7.23 -1.26 -2.81 120.40 118.39 1k42 s VAL 32 Ca -0.06 0.01 0.07 0.00 -1.81 0.00 0.00 61.98 60.20 1k42 s VAL 32 Cb -0.10 -3.19 -0.01 0.00 0.56 0.00 0.00 36.38 33.63 1k42 s VAL 32 CO -0.16 0.52 0.43 -0.83 -0.31 0.00 0.00 175.10 174.74 1k42 s GLY 33 N -0.15 1.85 0.59 2.32 0.00 -1.17 -4.94 107.32 105.82 1k42 s GLY 33 Ca 0.08 -1.65 0.30 0.00 0.00 0.00 0.00 44.72 43.45 1k42 s GLY 33 CO 0.01 -1.53 1.57 1.76 0.00 0.00 0.00 173.10 174.91 1k42 h SER 34 N 0.96 0.00 -0.14 1.64 0.02 -1.93 0.14 113.55 114.23 1k42 h SER 34 Ca -0.43 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 60.57 1k42 h SER 34 Cb 1.26 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.75 1k42 h SER 34 CO 0.53 0.00 -0.22 0.28 -1.14 0.00 0.00 176.83 176.28 1k42 h SER 35 N 0.00 -0.69 -0.28 3.07 0.02 -1.90 -3.37 113.55 110.39 1k42 h SER 35 Ca 0.44 0.12 -0.36 0.00 -0.84 0.00 0.00 61.79 61.15 1k42 h SER 35 Cb 2.36 0.31 -0.07 0.00 0.14 0.00 0.00 62.40 65.14 1k42 h SER 35 CO -0.00 -0.27 1.55 0.52 -1.14 0.00 0.00 176.83 177.48 1k42 n VAL 36 N -5.36 -0.01 0.12 2.27 0.31 0.47 -4.15 118.33 111.97 1k42 n VAL 36 Ca -0.03 -0.39 -0.01 0.00 -0.01 0.00 0.00 64.34 63.91 1k42 n VAL 36 Cb 0.27 -0.89 0.02 0.00 -0.91 0.00 0.00 33.84 32.34 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 7.53 1.25 -3.77 2.52 2.02 -1.75 -3.44 112.91 117.26 1k42 h THR 37 Ca -0.03 -2.58 -0.68 0.00 0.77 0.00 0.00 66.41 63.89 1k42 h THR 37 Cb 1.18 2.50 -0.19 0.00 -1.74 0.00 0.00 68.15 69.90 1k42 h THR 37 CO 1.38 0.67 -0.78 0.20 0.37 0.00 0.00 175.52 177.37 1k42 s ASN 38 N -6.59 4.04 -0.42 4.18 -0.87 -1.23 -5.08 114.94 108.98 1k42 s ASN 38 Ca 0.02 -0.42 -0.29 0.00 -1.57 0.00 0.00 52.86 50.60 1k42 s ASN 38 Cb 0.09 -0.69 0.02 0.00 -0.02 0.00 0.00 41.25 40.65 1k42 s ASN 38 CO 0.77 0.22 1.27 -2.16 -2.57 0.00 0.00 177.10 174.63 1k42 s PRO 39 N -1.79 3.70 0.78 -0.60 0.04 -1.26 -4.91 135.00 130.96 1k42 s PRO 39 Ca 0.17 0.84 -0.12 0.00 0.04 0.00 0.00 61.00 61.94 1k42 s PRO 39 Cb -0.11 -3.94 0.06 0.00 0.04 0.00 0.00 34.50 30.55 1k42 s PRO 39 CO 0.09 -1.40 1.13 -1.25 0.04 0.00 0.00 177.00 175.61 1k42 s PRO 40 N 4.58 2.20 -0.21 0.56 0.04 -1.26 -4.92 135.00 135.98 1k42 s PRO 40 Ca 0.55 0.33 -0.04 0.00 0.04 0.00 0.00 61.00 61.87 1k42 s PRO 40 Cb -0.11 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 1k42 s PRO 40 CO 0.30 -1.48 -0.02 0.08 0.04 0.00 0.00 177.00 175.92 1k42 s VAL 41 N -3.41 3.63 -0.30 -0.36 1.01 -1.15 -4.92 120.40 114.91 1k42 s VAL 41 Ca 0.61 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 1k42 s VAL 41 Cb -0.12 -2.65 0.03 0.00 0.00 0.00 0.00 36.38 33.64 1k42 s VAL 41 CO 0.51 0.42 0.05 -0.36 0.00 0.00 0.00 175.10 175.72 1k42 s PHE 42 N 1.30 3.18 0.12 5.22 0.08 -1.26 -2.09 117.98 124.53 1k42 s PHE 42 Ca 0.04 -1.35 -0.13 0.00 0.12 0.00 0.00 56.93 55.60 1k42 s PHE 42 Cb -0.14 -2.20 0.02 0.00 -0.57 0.00 0.00 43.02 40.13 1k42 s PHE 42 CO -0.00 -0.68 0.33 -2.00 -0.10 0.00 0.00 175.22 172.76 1k42 s GLU 43 N 1.40 1.02 -0.16 0.44 2.12 -1.04 -1.37 118.70 121.12 1k42 s GLU 43 Ca -0.00 -0.84 -0.07 0.00 0.36 0.00 0.00 54.97 54.41 1k42 s GLU 43 Cb -0.18 0.42 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 1k42 s GLU 43 CO 0.01 -0.38 0.09 0.08 -0.54 0.00 0.00 175.26 174.52 1k42 s VAL 44 N -3.84 5.06 -0.24 3.70 1.01 -1.14 0.06 120.40 125.01 1k42 s VAL 44 Ca 0.05 0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.05 1k42 s VAL 44 Cb 0.03 -3.25 -0.00 0.00 0.00 0.00 0.00 36.38 33.15 1k42 s VAL 44 CO -0.10 0.51 -0.02 -0.76 0.00 0.00 0.00 175.10 174.73 1k42 s LEU 45 N -0.11 3.11 -0.44 3.92 2.01 -0.27 -3.10 118.68 123.80 1k42 s LEU 45 Ca 0.08 -0.48 -0.21 0.00 0.01 0.00 0.00 54.13 53.54 1k42 s LEU 45 Cb -0.12 -1.77 0.03 0.00 0.01 0.00 0.00 46.19 44.34 1k42 s LEU 45 CO 0.01 -0.06 0.65 -1.61 1.01 0.00 0.00 176.35 176.35 1k42 s GLU 46 N 1.48 3.28 0.03 1.70 2.02 -1.26 -2.40 118.70 123.55 1k42 s GLU 46 Ca 0.05 -0.37 -0.03 0.00 0.02 0.00 0.00 54.97 54.64 1k42 s GLU 46 Cb -0.15 -3.96 -0.02 0.00 0.10 0.00 0.00 34.13 30.10 1k42 s GLU 46 CO -0.02 -1.03 0.03 0.95 0.02 0.00 0.00 175.26 175.21 1k42 s THR 47 N 2.85 0.14 -0.99 3.63 -4.23 -0.85 -5.01 115.64 111.18 1k42 s THR 47 Ca 0.23 -1.16 0.27 0.00 -1.18 0.00 0.00 61.69 59.86 1k42 s THR 47 Cb -0.14 -0.77 0.23 0.00 1.34 0.00 0.00 72.50 73.16 1k42 s THR 47 CO 0.19 -0.64 1.87 -1.54 -0.54 0.00 0.00 174.62 173.97 1k42 n SER 48 N 0.97 0.02 0.18 3.99 3.41 -1.26 -2.91 113.62 118.02 1k42 n SER 48 Ca -0.20 0.50 0.12 0.00 -0.26 0.00 0.00 58.87 59.04 1k42 n SER 48 Cb 0.58 -0.51 0.26 0.00 -0.26 0.00 0.00 64.21 64.28 1k42 n SER 48 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1k42 h ASP 49 N 0.00 0.00 -2.34 4.04 5.19 -1.94 -3.46 116.42 117.90 1k42 h ASP 49 Ca 0.00 0.00 -0.60 0.00 -0.62 0.00 0.00 57.03 55.81 1k42 h ASP 49 Cb 0.48 0.00 0.16 0.00 0.18 0.00 0.00 39.33 40.15 1k42 h ASP 49 CO 0.00 0.00 -0.61 0.00 -3.12 0.00 0.00 179.24 175.51 1k42 n ALA 50 N -1.99 -1.89 0.09 3.45 0.00 -1.15 -4.88 120.51 114.14 1k42 n ALA 50 Ca 0.04 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.34 1k42 n ALA 50 Cb 0.49 -1.68 -0.13 0.00 0.00 0.00 0.00 19.45 18.12 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 0.59 -4.92 0.00 0.13 -1.89 -3.43 132.00 122.92 1k42 h PRO 51 Ca -0.41 -0.81 -0.67 0.00 -0.87 0.00 0.00 66.00 63.24 1k42 h PRO 51 Cb 1.41 0.27 -0.32 0.00 0.13 0.00 0.00 31.00 32.50 1k42 h PRO 51 CO 0.48 1.37 -0.75 -2.00 -0.23 0.00 0.00 178.00 176.87 1k42 s GLU 52 N -2.90 2.86 7.68 0.86 2.56 -1.26 -5.00 118.70 123.50 1k42 s GLU 52 Ca -0.10 -0.96 0.00 0.00 0.00 0.00 0.00 54.97 53.91 1k42 s GLU 52 Cb 0.05 -2.97 0.00 0.00 2.00 0.00 0.00 34.13 33.21 1k42 s GLU 52 CO 0.92 -0.38 0.00 0.41 -0.56 0.00 0.00 175.26 175.65 1k42 n GLY 53 N 4.67 3.10 0.69 -1.50 0.00 -1.26 -3.92 105.19 106.97 1k42 n GLY 53 Ca -0.17 -0.18 -0.01 0.00 0.00 0.00 0.00 46.02 45.67 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 7.50 -0.08 -4.14 1.61 4.13 -1.26 -4.69 115.26 118.33 1k42 n ASN 54 Ca 0.00 -1.54 -0.21 0.00 1.68 0.00 0.00 54.58 54.50 1k42 n ASN 54 Cb 0.00 -0.03 -0.14 0.00 -1.54 0.00 0.00 39.78 38.07 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 0.00 1.04 0.31 3.52 1.02 -1.25 -2.00 119.74 122.38 1k42 s LYS 55 Ca 0.04 -0.68 -0.07 0.00 0.02 0.00 0.00 55.97 55.28 1k42 s LYS 55 Cb 0.04 -1.04 0.00 0.00 -0.52 0.00 0.00 37.83 36.32 1k42 s LYS 55 CO -0.02 0.27 0.50 0.14 -0.92 0.00 0.00 175.35 175.32 1k42 s VAL 56 N -0.66 0.00 -0.46 3.17 -7.23 -1.01 -4.38 120.40 109.83 1k42 s VAL 56 Ca 0.03 -1.49 -0.08 0.00 -1.81 0.00 0.00 61.98 58.64 1k42 s VAL 56 Cb -0.07 -2.53 0.12 0.00 0.56 0.00 0.00 36.38 34.46 1k42 s VAL 56 CO 0.01 0.00 0.32 -0.22 -0.31 0.00 0.00 175.10 174.90 1k42 s LEU 57 N -3.15 5.60 -0.25 1.32 2.96 -0.68 -1.11 118.68 123.37 1k42 s LEU 57 Ca 0.27 -1.98 -0.28 0.00 -0.22 0.00 0.00 54.13 51.92 1k42 s LEU 57 Cb -0.01 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.73 1k42 s LEU 57 CO 0.16 -0.65 1.00 0.00 -1.32 0.00 0.00 176.35 175.53 1k42 s ALA 58 N 1.26 3.64 0.03 5.97 0.00 0.11 -2.05 121.76 130.72 1k42 s ALA 58 Ca 0.07 0.05 0.07 0.00 0.00 0.00 0.00 51.96 52.14 1k42 s ALA 58 Cb -0.25 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.32 1k42 s ALA 58 CO -0.02 -1.12 -0.17 0.08 0.00 0.00 0.00 175.76 174.54 1k42 s VAL 59 N 3.21 2.86 -0.65 0.00 1.01 -0.35 -2.48 120.40 124.00 1k42 s VAL 59 Ca 0.42 -1.14 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 1k42 s VAL 59 Cb -0.14 -2.21 0.17 0.00 0.00 0.00 0.00 36.38 34.20 1k42 s VAL 59 CO 0.08 0.35 0.50 -0.89 0.00 0.00 0.00 175.10 175.14 1k42 s THR 60 N -0.92 4.20 -0.30 3.92 2.01 -0.89 0.26 115.64 123.92 1k42 s THR 60 Ca 0.15 -2.70 -0.21 0.00 0.31 0.00 0.00 61.69 59.24 1k42 s THR 60 Cb -0.11 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.70 1k42 s THR 60 CO 0.05 -0.90 0.66 -0.69 -0.69 0.00 0.00 174.62 173.06 1k42 s VAL 61 N 0.17 4.91 -0.43 3.82 1.01 -1.11 -2.93 120.40 125.85 1k42 s VAL 61 Ca 0.16 0.93 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1k42 s VAL 61 Cb -0.19 -4.03 0.34 0.00 0.00 0.00 0.00 36.38 32.51 1k42 s VAL 61 CO -0.04 -0.16 1.04 -0.46 0.00 0.00 0.00 175.10 175.48 1k42 n ASN 62 N 5.94 -1.39 0.00 3.32 0.23 -1.26 -1.57 115.26 120.53 1k42 n ASN 62 Ca -0.00 -3.37 0.00 0.00 -0.53 0.00 0.00 54.58 50.68 1k42 n ASN 62 Cb 0.49 1.13 0.00 0.00 -2.08 0.00 0.00 39.78 39.32 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 0.22 -1.00 2.31 4.83 0.00 -1.26 -4.84 105.19 105.45 1k42 n GLY 63 Ca 0.10 0.62 -0.18 0.00 0.00 0.00 0.00 46.02 46.56 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 -1.70 1.61 0.24 -1.26 -3.50 118.33 113.72 1k42 n VAL 64 Ca 0.00 -0.59 0.00 0.00 -2.04 0.00 0.00 64.34 61.71 1k42 n VAL 64 Cb 0.00 -1.70 0.00 0.00 -1.47 0.00 0.00 33.84 30.67 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 -0.19 5.26 0.29 7.63 0.00 -1.26 -4.29 105.19 112.63 1k42 n GLY 65 Ca 0.10 -1.47 0.12 0.00 0.00 0.00 0.00 46.02 44.77 1k42 n GLY 65 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1k42 n ASN 66 N 0.00 1.34 -4.56 1.61 5.15 -1.26 -4.89 115.26 112.65 1k42 n ASN 66 Ca 0.00 -1.07 -0.31 0.00 -0.60 0.00 0.00 54.58 52.60 1k42 n ASN 66 Cb 0.00 0.36 -0.11 0.00 -0.53 0.00 0.00 39.78 39.50 1k42 n ASN 66 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1k42 s ASN 67 N -2.59 4.37 0.00 1.20 0.01 -1.26 -4.99 114.94 111.68 1k42 s ASN 67 Ca 0.19 -0.30 0.00 0.00 -0.71 0.00 0.00 52.86 52.05 1k42 s ASN 67 Cb 0.18 -0.89 0.00 0.00 0.41 0.00 0.00 41.25 40.95 1k42 s ASN 67 CO 0.59 0.23 0.80 -0.81 -1.51 0.00 0.00 177.10 176.40 1k42 n PRO 68 N 1.20 0.93 -2.70 -0.60 -0.04 -1.26 -3.80 135.00 128.74 1k42 n PRO 68 Ca -0.15 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.15 1k42 n PRO 68 Cb 0.52 -1.14 0.01 0.00 -0.04 0.00 0.00 33.50 32.85 1k42 n PRO 68 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1k42 n TRP 69 N -0.34 1.81 0.07 0.54 2.14 -1.26 -4.78 117.44 115.61 1k42 n TRP 69 Ca 0.00 -3.08 -0.04 0.00 2.07 0.00 0.00 57.50 56.45 1k42 n TRP 69 Cb 0.07 -0.31 -0.02 0.00 -0.81 0.00 0.00 31.31 30.24 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 2.89 -0.19 -3.83 -0.67 5.19 -1.65 -3.40 116.42 114.75 1k42 h ASP 70 Ca 0.04 0.01 -0.65 0.00 -0.62 0.00 0.00 57.03 55.81 1k42 h ASP 70 Cb 1.04 0.05 -0.18 0.00 0.18 0.00 0.00 39.33 40.43 1k42 h ASP 70 CO 0.61 0.07 -0.51 -0.63 -3.12 0.00 0.00 179.24 175.66 1k42 s ILE 71 N -2.31 5.27 -0.11 0.35 1.09 0.38 -3.02 121.20 122.84 1k42 s ILE 71 Ca -0.03 0.02 0.03 0.00 -1.10 0.00 0.00 60.65 59.56 1k42 s ILE 71 Cb 0.00 -3.58 0.01 0.00 -1.06 0.00 0.00 42.46 37.83 1k42 s ILE 71 CO 0.10 0.16 -0.21 -1.61 -0.10 0.00 0.00 174.94 173.28 1k42 s GLU 72 N 1.74 2.82 -0.26 2.79 2.02 -1.12 0.11 118.70 126.80 1k42 s GLU 72 Ca 0.07 -0.79 0.02 0.00 0.02 0.00 0.00 54.97 54.28 1k42 s GLU 72 Cb -0.16 -2.22 0.07 0.00 0.10 0.00 0.00 34.13 31.91 1k42 s GLU 72 CO 0.11 0.06 -0.05 0.00 0.02 0.00 0.00 175.26 175.40 1k42 s ALA 73 N 0.63 2.22 0.35 5.21 0.00 -0.24 -1.30 121.76 128.63 1k42 s ALA 73 Ca -0.12 -1.63 0.07 0.00 0.00 0.00 0.00 51.96 50.28 1k42 s ALA 73 Cb -0.16 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.38 1k42 s ALA 73 CO 0.03 -1.28 0.34 0.99 0.00 0.00 0.00 175.76 175.84 1k42 s THR 74 N 1.26 3.52 -0.02 0.00 2.01 -0.36 -0.66 115.64 121.41 1k42 s THR 74 Ca -0.04 -1.29 0.08 0.00 0.31 0.00 0.00 61.69 60.75 1k42 s THR 74 Cb -0.19 -3.20 -0.02 0.00 0.01 0.00 0.00 72.50 69.10 1k42 s THR 74 CO -0.07 -0.15 -0.25 0.00 -0.69 0.00 0.00 174.62 173.46 1k42 s ALA 75 N -2.30 2.06 0.00 7.40 0.00 -0.39 -1.21 121.76 127.32 1k42 s ALA 75 Ca 0.43 -1.07 0.00 0.00 0.00 0.00 0.00 51.96 51.32 1k42 s ALA 75 Cb -0.06 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.53 1k42 s ALA 75 CO 0.28 0.51 0.00 1.97 0.00 0.00 0.00 175.76 178.51 1k42 n PHE 76 N 2.45 0.00 -2.02 0.00 1.16 -0.60 -2.32 117.46 116.13 1k42 n PHE 76 Ca -0.16 0.00 -0.28 0.00 -1.87 0.00 0.00 57.45 55.14 1k42 n PHE 76 Cb 0.51 0.00 0.08 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 2.16 0.15 3.97 0.04 -1.26 -4.10 135.00 133.96 1k42 s PRO 77 Ca 0.00 0.01 0.07 0.00 0.04 0.00 0.00 61.00 61.12 1k42 s PRO 77 Cb 0.00 -2.05 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 1k42 s PRO 77 CO 0.00 -1.39 -0.15 0.08 0.04 0.00 0.00 177.00 175.58 1k42 s VAL 78 N -3.42 1.55 -0.17 -0.36 1.01 -0.49 -3.57 120.40 114.94 1k42 s VAL 78 Ca 0.61 -1.90 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1k42 s VAL 78 Cb -0.11 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.55 1k42 s VAL 78 CO 0.48 -0.44 -0.14 0.20 0.00 0.00 0.00 175.10 175.19 1k42 s ASN 79 N -2.73 2.96 0.19 3.32 0.01 -0.86 -2.78 114.94 115.05 1k42 s ASN 79 Ca 0.14 -0.62 0.01 0.00 -0.71 0.00 0.00 52.86 51.68 1k42 s ASN 79 Cb -0.04 -1.26 -0.00 0.00 0.41 0.00 0.00 41.25 40.36 1k42 s ASN 79 CO 0.05 -0.07 0.03 1.33 -1.51 0.00 0.00 177.10 176.93 1k42 n VAL 80 N 4.72 0.00 -4.08 1.60 0.24 -0.70 -4.41 118.33 115.69 1k42 n VAL 80 Ca -0.17 -0.96 -0.14 0.00 -2.04 0.00 0.00 64.34 61.03 1k42 n VAL 80 Cb 0.49 0.26 -0.13 0.00 -1.47 0.00 0.00 33.84 32.99 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 -2.69 0.42 -0.18 7.34 1.81 -1.26 -4.71 118.95 119.69 1k42 s ARG 81 Ca 0.04 -0.44 -0.29 0.00 -1.72 0.00 0.00 55.73 53.31 1k42 s ARG 81 Cb 0.00 -0.29 -0.01 0.00 -0.45 0.00 0.00 34.95 34.21 1k42 s ARG 81 CO 0.03 0.06 1.17 -1.25 -0.68 0.00 0.00 175.30 174.63 1k42 s PRO 82 N -0.82 4.26 0.00 3.54 0.04 -1.26 -3.18 135.00 137.58 1k42 s PRO 82 Ca -0.05 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.54 1k42 s PRO 82 Cb -0.06 -3.70 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1k42 s PRO 82 CO 0.00 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.80 1k42 n GLY 83 N 3.47 3.07 3.84 0.56 0.00 -1.26 -5.03 105.19 109.84 1k42 n GLY 83 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.75 4.64 -0.12 1.61 1.01 -1.19 -5.00 120.40 118.59 1k42 s VAL 84 Ca 0.00 1.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.88 1k42 s VAL 84 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.71 1k42 s VAL 84 CO 0.00 -0.18 0.31 -0.89 0.00 0.00 0.00 175.10 174.33 1k42 s THR 85 N -1.98 5.27 0.37 3.92 2.01 -1.26 -4.12 115.64 119.84 1k42 s THR 85 Ca 0.55 0.58 0.08 0.00 0.31 0.00 0.00 61.69 63.21 1k42 s THR 85 Cb -0.10 -3.63 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 1k42 s THR 85 CO 0.17 0.45 0.17 -0.31 -0.69 0.00 0.00 174.62 174.41 1k42 s TYR 86 N 0.02 2.68 0.19 4.92 1.51 -0.48 -4.30 117.35 121.90 1k42 s TYR 86 Ca 0.18 -0.44 0.11 0.00 -1.01 0.00 0.00 57.07 55.91 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 0.06 0.25 -0.20 0.99 -1.11 0.00 0.00 175.55 175.55 1k42 s THR 87 N -2.47 2.60 -0.13 -0.71 2.01 0.56 -2.67 115.64 114.82 1k42 s THR 87 Ca 0.40 -1.93 -0.01 0.00 0.31 0.00 0.00 61.69 60.46 1k42 s THR 87 Cb -0.01 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.27 1k42 s THR 87 CO 0.23 -0.12 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.51 1k42 s TYR 88 N -1.69 1.52 0.02 4.92 6.14 -0.82 -1.83 117.35 125.61 1k42 s TYR 88 Ca 0.22 -0.85 0.02 0.00 0.64 0.00 0.00 57.07 57.10 1k42 s TYR 88 Cb -0.08 -1.24 -0.01 0.00 0.42 0.00 0.00 41.96 41.04 1k42 s TYR 88 CO 0.11 -0.55 -0.08 0.99 0.64 0.00 0.00 175.55 176.67 1k42 s THR 89 N 1.69 0.57 0.16 4.34 2.01 -1.02 -1.22 115.64 122.17 1k42 s THR 89 Ca 0.03 -0.64 -0.12 0.00 0.31 0.00 0.00 61.69 61.27 1k42 s THR 89 Cb -0.14 -0.54 0.01 0.00 0.01 0.00 0.00 72.50 71.84 1k42 s THR 89 CO -0.08 -0.07 0.35 -0.51 -0.69 0.00 0.00 174.62 173.63 1k42 s ILE 90 N -0.67 0.07 -0.07 1.82 2.07 -0.27 -1.38 121.20 122.78 1k42 s ILE 90 Ca -0.02 -1.09 0.01 0.00 -1.41 0.00 0.00 60.65 58.13 1k42 s ILE 90 Cb -0.06 -1.62 0.02 0.00 0.13 0.00 0.00 42.46 40.93 1k42 s ILE 90 CO 0.00 -0.30 -0.05 0.26 -1.91 0.00 0.00 174.94 172.94 1k42 s TRP 91 N -3.91 0.99 0.15 3.50 0.52 -0.18 -1.60 118.94 118.41 1k42 s TRP 91 Ca 0.12 -0.35 0.10 0.00 0.02 0.00 0.00 56.10 55.98 1k42 s TRP 91 Cb 0.02 -0.87 -0.04 0.00 -1.15 0.00 0.00 33.47 31.43 1k42 s TRP 91 CO -0.04 -0.29 -0.19 0.00 0.02 0.00 0.00 176.95 176.46 1k42 s ALA 92 N 1.23 2.67 -0.30 0.98 0.00 -1.15 -1.47 121.76 123.72 1k42 s ALA 92 Ca -0.06 -1.45 -0.11 0.00 0.00 0.00 0.00 51.96 50.34 1k42 s ALA 92 Cb -0.14 -0.57 0.15 0.00 0.00 0.00 0.00 23.12 22.56 1k42 s ALA 92 CO -0.02 0.53 0.78 0.50 0.00 0.00 0.00 175.76 177.55 1k42 s ARG 93 N -2.39 0.46 0.27 0.00 3.52 -0.61 -1.42 118.95 118.78 1k42 s ARG 93 Ca 0.20 1.10 0.07 0.00 -0.13 0.00 0.00 55.73 56.97 1k42 s ARG 93 Cb -0.10 0.66 -0.03 0.00 -1.56 0.00 0.00 34.95 33.92 1k42 s ARG 93 CO 0.11 -0.21 0.23 0.00 -0.81 0.00 0.00 175.30 174.62 1k42 s ALA 94 N 2.74 3.66 0.12 6.12 0.00 -1.08 -1.02 121.76 132.31 1k42 s ALA 94 Ca -0.02 -1.45 -0.20 0.00 0.00 0.00 0.00 51.96 50.30 1k42 s ALA 94 Cb -0.10 -1.32 -0.06 0.00 0.00 0.00 0.00 23.12 21.65 1k42 s ALA 94 CO -0.18 0.21 1.76 1.49 0.00 0.00 0.00 175.76 179.03 1k42 h GLU 95 N 1.42 0.18 -6.38 0.00 4.22 -1.51 -3.37 114.58 109.14 1k42 h GLU 95 Ca -0.48 -0.01 -0.69 0.00 0.08 0.00 0.00 59.36 58.26 1k42 h GLU 95 Cb 1.24 -0.04 -0.22 0.00 0.50 0.00 0.00 28.75 30.23 1k42 h GLU 95 CO 0.60 0.12 -0.76 -0.65 -2.18 0.00 0.00 179.01 176.14 1k42 s GLN 96 N -6.18 2.41 0.50 1.92 -0.21 -1.26 -4.79 119.66 112.04 1k42 s GLN 96 Ca -0.13 -0.77 -0.23 0.00 0.02 0.00 0.00 55.36 54.25 1k42 s GLN 96 Cb 0.09 -2.36 -0.06 0.00 1.00 0.00 0.00 33.01 31.68 1k42 s GLN 96 CO 0.69 0.60 1.27 0.16 -2.12 0.00 0.00 175.29 175.88 1k42 s ASP 97 N -1.05 5.75 0.00 5.90 -4.77 -1.26 -4.31 116.67 116.92 1k42 s ASP 97 Ca 0.13 2.55 0.00 0.00 -3.30 0.00 0.00 52.55 51.93 1k42 s ASP 97 Cb -0.11 -2.62 0.00 0.00 -1.09 0.00 0.00 42.92 39.10 1k42 s ASP 97 CO 0.03 -1.23 0.00 0.61 0.70 0.00 0.00 175.17 175.28 1k42 n GLY 98 N 0.59 1.17 3.31 2.12 0.00 -1.07 -4.96 105.19 106.35 1k42 n GLY 98 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 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 2.13 0.04 4.61 0.00 -1.20 -4.53 121.76 120.81 1k42 s ALA 99 Ca 0.00 -1.12 0.07 0.00 0.00 0.00 0.00 51.96 50.91 1k42 s ALA 99 Cb 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 1k42 s ALA 99 CO 0.00 0.52 -0.18 0.08 0.00 0.00 0.00 175.76 176.18 1k42 s VAL 100 N -0.63 2.80 0.15 0.00 1.01 -1.04 0.44 120.40 123.13 1k42 s VAL 100 Ca 0.10 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 1k42 s VAL 100 Cb -0.10 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1k42 s VAL 100 CO -0.01 0.33 0.16 -0.69 0.00 0.00 0.00 175.10 174.89 1k42 s VAL 101 N -0.93 0.08 -0.11 2.92 1.01 -1.17 -4.52 120.40 117.68 1k42 s VAL 101 Ca 0.15 -1.72 0.02 0.00 0.00 0.00 0.00 61.98 60.43 1k42 s VAL 101 Cb -0.10 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.27 1k42 s VAL 101 CO 0.05 -0.35 -0.18 -0.44 0.00 0.00 0.00 175.10 174.18 1k42 s SER 102 N -3.03 2.68 -0.34 3.32 0.01 -1.16 -2.68 113.70 112.50 1k42 s SER 102 Ca 0.23 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 57.01 1k42 s SER 102 Cb 0.06 -1.22 0.09 0.00 0.21 0.00 0.00 66.02 65.16 1k42 s SER 102 CO 0.02 0.05 0.06 -0.36 0.41 0.00 0.00 173.24 173.43 1k42 s PHE 103 N 0.83 3.54 0.25 2.43 0.08 -1.08 -1.26 117.98 122.77 1k42 s PHE 103 Ca -0.09 -2.50 0.05 0.00 0.12 0.00 0.00 56.93 54.52 1k42 s PHE 103 Cb -0.16 -2.71 -0.05 0.00 -0.57 0.00 0.00 43.02 39.53 1k42 s PHE 103 CO 0.00 -0.92 -0.04 0.95 -0.10 0.00 0.00 175.22 175.11 1k42 s THR 104 N 1.07 1.39 0.13 0.64 -4.23 -1.14 -2.38 115.64 111.13 1k42 s THR 104 Ca 0.04 -2.09 0.06 0.00 -1.18 0.00 0.00 61.69 58.52 1k42 s THR 104 Cb -0.20 -2.37 -0.04 0.00 1.34 0.00 0.00 72.50 71.23 1k42 s THR 104 CO -0.05 -0.34 -0.13 0.68 -0.54 0.00 0.00 174.62 174.24 1k42 s VAL 105 N -3.18 1.32 0.02 2.29 -7.23 -1.15 -1.87 120.40 110.58 1k42 s VAL 105 Ca 0.28 -1.81 -0.10 0.00 -1.81 0.00 0.00 61.98 58.55 1k42 s VAL 105 Cb 0.04 -1.61 0.03 0.00 0.56 0.00 0.00 36.38 35.41 1k42 s VAL 105 CO 0.10 -0.49 0.46 0.61 -0.31 0.00 0.00 175.10 175.47 1k42 n GLY 106 N 0.35 0.66 0.00 2.32 0.00 -1.02 -2.37 105.19 105.13 1k42 n GLY 106 Ca -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.93 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 -0.62 0.88 0.00 1.61 0.23 -0.78 -1.67 115.26 114.90 1k42 n ASN 107 Ca 0.01 -0.96 0.04 0.00 -0.53 0.00 0.00 54.58 53.14 1k42 n ASN 107 Cb 0.22 0.00 0.25 0.00 -2.08 0.00 0.00 39.78 38.17 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 0.00 0.42 -0.42 -3.83 3.00 -1.26 -2.04 117.38 113.24 1k42 n GLN 108 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 1k42 n GLN 108 Cb 0.00 -1.31 0.26 0.00 0.00 0.00 0.00 30.24 29.19 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 -0.81 3.91 0.00 1.08 7.64 -1.26 -4.91 113.62 119.27 1k42 n SER 109 Ca 0.06 -2.48 0.00 0.00 1.01 0.00 0.00 58.87 57.46 1k42 n SER 109 Cb 0.03 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.77 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 0.42 0.00 -2.04 1.43 3.72 -0.87 -4.96 117.46 115.16 1k42 n PHE 110 Ca 0.20 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.29 1k42 n PHE 110 Cb 0.74 -1.23 -0.00 0.00 -0.94 0.00 0.00 39.48 38.06 1k42 n PHE 110 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 176.76 175.57 1k42 s GLN 111 N -1.16 3.70 -0.01 -1.08 0.74 -1.26 -4.85 119.66 115.75 1k42 s GLN 111 Ca 0.00 0.81 0.01 0.00 0.05 0.00 0.00 55.36 56.23 1k42 s GLN 111 Cb 0.00 -2.10 0.01 0.00 1.10 0.00 0.00 33.01 32.02 1k42 s GLN 111 CO 0.00 -0.48 -0.04 -2.00 -0.55 0.00 0.00 175.29 172.22 1k42 s GLU 112 N -4.84 0.46 0.00 1.67 2.12 -1.26 -1.87 118.70 114.98 1k42 s GLU 112 Ca 0.56 -0.12 0.00 0.00 0.36 0.00 0.00 54.97 55.77 1k42 s GLU 112 Cb -0.11 -0.48 0.00 0.00 0.26 0.00 0.00 34.13 33.80 1k42 s GLU 112 CO 0.47 0.03 0.00 0.66 -0.54 0.00 0.00 175.26 175.88 1k42 n TYR 113 N 3.34 0.00 -2.37 5.30 4.01 -1.00 -4.92 117.16 121.52 1k42 n TYR 113 Ca -0.17 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.25 1k42 n TYR 113 Cb 0.56 -0.09 -0.02 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.67 1.88 -0.27 2.72 0.00 -1.26 -4.96 107.32 102.76 1k42 s GLY 114 Ca 0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 44.72 44.68 1k42 s GLY 114 CO 0.00 0.22 0.43 -1.60 0.00 0.00 0.00 173.10 172.15 1k42 s ARG 115 N -4.38 0.41 -0.42 2.90 3.52 -1.26 -2.96 118.95 116.76 1k42 s ARG 115 Ca 0.55 0.51 0.07 0.00 -0.13 0.00 0.00 55.73 56.73 1k42 s ARG 115 Cb -0.10 -0.23 0.25 0.00 -1.56 0.00 0.00 34.95 33.30 1k42 s ARG 115 CO 0.39 -0.76 0.63 1.47 -0.81 0.00 0.00 175.30 176.22 1k42 n LEU 116 N 5.38 -0.77 -4.78 -0.88 -0.00 -1.00 -5.05 117.00 109.89 1k42 n LEU 116 Ca -0.02 -4.27 -0.22 0.00 -0.00 0.00 0.00 56.01 51.50 1k42 n LEU 116 Cb 0.50 0.70 -0.05 0.00 -0.00 0.00 0.00 43.42 44.57 1k42 n LEU 116 CO 0.03 2.05 -0.20 -1.38 -0.00 0.00 0.00 177.39 177.89 1k42 s HIS 117 N -0.60 2.97 -0.15 1.47 -3.43 -1.26 -2.64 115.29 111.65 1k42 s HIS 117 Ca 0.34 -0.17 -0.01 0.00 -0.80 0.00 0.00 55.06 54.43 1k42 s HIS 117 Cb 0.19 -1.40 -0.01 0.00 -1.43 0.00 0.00 32.58 29.93 1k42 s HIS 117 CO -0.15 0.51 0.13 -1.91 -2.00 0.00 0.00 174.74 171.31 1k42 n GLU 118 N -1.13 -0.39 -4.55 -0.38 2.13 -1.09 -4.94 120.64 110.29 1k42 n GLU 118 Ca -0.07 0.12 -0.22 0.00 0.66 0.00 0.00 57.16 57.65 1k42 n GLU 118 Cb 0.58 -2.22 -0.15 0.00 0.27 0.00 0.00 31.44 29.92 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 -3.33 1.17 0.67 5.31 -1.52 -1.21 -4.99 119.66 115.77 1k42 s GLN 119 Ca 0.05 -0.42 -0.14 0.00 -1.95 0.00 0.00 55.36 52.90 1k42 s GLN 119 Cb -0.01 -1.08 0.01 0.00 -0.22 0.00 0.00 33.01 31.71 1k42 s GLN 119 CO 0.10 0.19 1.09 -0.65 -0.25 0.00 0.00 175.29 175.78 1k42 s GLN 120 N 0.01 2.79 -0.02 2.91 -0.21 -1.26 -3.02 119.66 120.85 1k42 s GLN 120 Ca -0.01 1.29 0.02 0.00 0.02 0.00 0.00 55.36 56.68 1k42 s GLN 120 Cb -0.08 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 31.98 1k42 s GLN 120 CO 0.01 -1.24 -0.07 0.42 -2.12 0.00 0.00 175.29 172.28 1k42 s ILE 121 N -2.52 0.65 0.88 1.08 -1.09 0.17 -4.93 121.20 115.45 1k42 s ILE 121 Ca 0.65 -0.28 -0.12 0.00 -2.23 0.00 0.00 60.65 58.66 1k42 s ILE 121 Cb -0.19 -0.59 0.20 0.00 -1.58 0.00 0.00 42.46 40.30 1k42 s ILE 121 CO 0.44 0.21 1.20 0.35 -1.23 0.00 0.00 174.94 175.92 1k42 n THR 122 N 3.35 0.00 1.70 2.92 -2.24 -1.26 -2.59 114.28 116.16 1k42 n THR 122 Ca -0.18 -1.06 0.14 0.00 -2.27 0.00 0.00 64.05 60.68 1k42 n THR 122 Cb 0.54 -1.40 0.83 0.00 -2.10 0.00 0.00 70.33 68.21 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 -3.55 0.02 -3.31 4.28 -2.24 -1.26 -2.63 114.28 105.60 1k42 n THR 123 Ca 0.16 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.95 1k42 n THR 123 Cb 0.56 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 1k42 n THR 123 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1k42 n GLU 124 N -1.08 1.65 -3.38 -0.78 1.02 -1.26 -4.34 120.64 112.46 1k42 n GLU 124 Ca 0.20 0.00 -0.39 0.00 -0.02 0.00 0.00 57.16 56.95 1k42 n GLU 124 Cb 0.14 0.00 -0.09 0.00 -0.02 0.00 0.00 31.44 31.47 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 0.32 3.27 -0.24 -0.32 0.52 -1.25 -3.66 118.94 117.59 1k42 s TRP 125 Ca 0.00 0.46 -0.07 0.00 0.02 0.00 0.00 56.10 56.52 1k42 s TRP 125 Cb 0.00 -2.57 -0.03 0.00 -1.15 0.00 0.00 33.47 29.73 1k42 s TRP 125 CO 0.00 -0.18 0.05 -0.65 0.02 0.00 0.00 176.95 176.19 1k42 s GLN 126 N 1.92 3.64 -0.55 4.98 -0.21 -0.50 -4.85 119.66 124.08 1k42 s GLN 126 Ca 0.16 -0.49 -0.28 0.00 0.02 0.00 0.00 55.36 54.77 1k42 s GLN 126 Cb -0.15 -3.26 0.03 0.00 1.00 0.00 0.00 33.01 30.62 1k42 s GLN 126 CO 0.09 -0.14 1.17 -1.25 -2.12 0.00 0.00 175.29 173.03 1k42 s PRO 127 N 1.47 3.57 -0.10 2.91 0.04 -1.26 -2.95 135.00 138.69 1k42 s PRO 127 Ca 0.06 0.33 -0.00 0.00 0.04 0.00 0.00 61.00 61.42 1k42 s PRO 127 Cb -0.15 -3.98 -0.03 0.00 0.04 0.00 0.00 34.50 30.38 1k42 s PRO 127 CO 0.03 -1.58 -0.08 -0.06 0.04 0.00 0.00 177.00 175.35 1k42 s PHE 128 N 4.76 2.92 0.32 0.56 0.08 -0.63 -4.94 117.98 121.06 1k42 s PHE 128 Ca 0.44 -0.19 -0.08 0.00 0.12 0.00 0.00 56.93 57.22 1k42 s PHE 128 Cb -0.07 -1.79 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1k42 s PHE 128 CO 0.27 0.13 0.52 -0.08 -0.10 0.00 0.00 175.22 175.96 1k42 s THR 129 N -0.28 0.00 0.08 0.64 -1.32 -1.26 -1.11 115.64 112.39 1k42 s THR 129 Ca 0.04 -1.44 -0.19 0.00 -1.21 0.00 0.00 61.69 58.89 1k42 s THR 129 Cb -0.13 -2.54 0.06 0.00 -1.51 0.00 0.00 72.50 68.39 1k42 s THR 129 CO 0.03 0.00 0.87 2.22 -2.21 0.00 0.00 174.62 175.53 1k42 n PHE 130 N -0.50 -0.84 -4.24 9.09 1.16 -0.36 -4.99 117.46 116.79 1k42 n PHE 130 Ca -0.01 -0.81 -0.21 0.00 -1.87 0.00 0.00 57.45 54.55 1k42 n PHE 130 Cb 0.61 0.39 -0.12 0.00 -1.61 0.00 0.00 39.48 38.75 1k42 n PHE 130 CO 0.00 0.00 0.00 -1.21 -1.87 0.00 0.00 176.76 173.68 1k42 s GLU 131 N -2.03 1.00 0.16 3.97 2.02 -1.26 -1.95 118.70 120.61 1k42 s GLU 131 Ca 0.20 -1.11 -0.25 0.00 0.02 0.00 0.00 54.97 53.83 1k42 s GLU 131 Cb -0.02 -1.09 0.06 0.00 0.10 0.00 0.00 34.13 33.18 1k42 s GLU 131 CO 0.02 0.24 0.89 -0.06 0.02 0.00 0.00 175.26 176.37 1k42 s PHE 132 N -1.42 -0.19 0.02 1.61 0.08 -1.09 -4.92 117.98 112.06 1k42 s PHE 132 Ca 0.04 -0.12 0.01 0.00 0.12 0.00 0.00 56.93 56.98 1k42 s PHE 132 Cb -0.09 0.64 -0.02 0.00 -0.57 0.00 0.00 43.02 42.98 1k42 s PHE 132 CO 0.03 -0.87 -0.04 -0.08 -0.10 0.00 0.00 175.22 174.16 1k42 s THR 133 N -3.41 0.22 -0.49 0.64 -1.32 -1.26 -1.38 115.64 108.63 1k42 s THR 133 Ca 0.10 -0.76 -0.44 0.00 -1.21 0.00 0.00 61.69 59.38 1k42 s THR 133 Cb -0.02 -0.32 -0.19 0.00 -1.51 0.00 0.00 72.50 70.46 1k42 s THR 133 CO 0.01 -0.35 2.12 0.52 -2.21 0.00 0.00 174.62 174.71 1k42 n VAL 134 N 1.89 0.01 0.12 5.08 0.31 -1.26 -4.78 118.33 119.69 1k42 n VAL 134 Ca -0.21 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 63.98 1k42 n VAL 134 Cb 0.56 -0.54 -0.07 0.00 -0.91 0.00 0.00 33.84 32.87 1k42 n VAL 134 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1k42 h SER 135 N 9.00 -0.19 0.00 4.52 0.02 -1.96 -3.43 113.55 121.51 1k42 h SER 135 Ca -0.12 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 1k42 h SER 135 Cb 1.41 0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.00 1k42 h SER 135 CO 1.08 -0.13 0.00 0.47 -1.14 0.00 0.00 176.83 177.11 1k42 n ASP 136 N -5.18 0.00 -2.70 3.07 9.92 -1.26 -5.04 116.55 115.35 1k42 n ASP 136 Ca -0.09 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.11 1k42 n ASP 136 Cb 0.11 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 40.68 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 0.90 -3.13 -1.24 3.00 -1.26 -4.88 117.38 110.77 1k42 n GLN 137 Ca 0.00 -1.59 -0.42 0.00 -0.01 0.00 0.00 57.00 54.98 1k42 n GLN 137 Cb 0.00 -0.35 -0.07 0.00 0.00 0.00 0.00 30.24 29.82 1k42 n GLN 137 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.06 175.85 1k42 s GLU 138 N 0.18 3.54 0.18 -1.09 0.41 -1.26 -4.89 118.70 115.77 1k42 s GLU 138 Ca 0.19 -0.12 0.26 0.00 -0.41 0.00 0.00 54.97 54.89 1k42 s GLU 138 Cb 0.31 -3.85 0.88 0.00 -1.78 0.00 0.00 34.13 29.68 1k42 s GLU 138 CO -0.08 -0.81 1.79 0.25 -0.49 0.00 0.00 175.26 175.93 1k42 n THR 139 N 5.64 0.53 -4.22 3.63 -2.24 -1.26 -4.54 114.28 111.82 1k42 n THR 139 Ca -0.02 -0.22 -0.20 0.00 -2.27 0.00 0.00 64.05 61.35 1k42 n THR 139 Cb 0.48 -0.60 -0.16 0.00 -2.10 0.00 0.00 70.33 67.95 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 -3.10 0.58 0.23 2.28 1.01 -1.26 -1.73 120.40 118.42 1k42 s VAL 140 Ca 0.11 -0.19 -0.01 0.00 0.00 0.00 0.00 61.98 61.89 1k42 s VAL 140 Cb 0.13 -0.57 -0.03 0.00 0.00 0.00 0.00 36.38 35.90 1k42 s VAL 140 CO 0.58 0.22 0.21 0.27 0.00 0.00 0.00 175.10 176.37 1k42 s ILE 141 N 0.64 0.00 -0.06 2.22 -4.36 -1.12 -4.61 121.20 113.91 1k42 s ILE 141 Ca -0.09 -1.92 -0.04 0.00 -0.26 0.00 0.00 60.65 58.35 1k42 s ILE 141 Cb -0.12 -2.48 0.03 0.00 1.25 0.00 0.00 42.46 41.14 1k42 s ILE 141 CO 0.00 0.00 0.15 0.00 0.24 0.00 0.00 174.94 175.33 1k42 s ARG 142 N -3.98 0.12 -0.45 0.37 1.70 -0.67 -1.40 118.95 114.64 1k42 s ARG 142 Ca 0.37 0.32 -0.19 0.00 -0.47 0.00 0.00 55.73 55.77 1k42 s ARG 142 Cb 0.05 -0.10 0.03 0.00 -0.57 0.00 0.00 34.95 34.37 1k42 s ARG 142 CO 0.15 -0.12 0.56 0.00 -1.08 0.00 0.00 175.30 174.81 1k42 s ALA 143 N 0.84 3.39 -0.35 7.88 0.00 -0.98 -2.43 121.76 130.10 1k42 s ALA 143 Ca -0.06 -1.49 -0.29 0.00 0.00 0.00 0.00 51.96 50.12 1k42 s ALA 143 Cb -0.08 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1k42 s ALA 143 CO -0.04 -1.78 1.27 -1.25 0.00 0.00 0.00 175.76 173.96 1k42 s PRO 144 N 2.50 3.84 -0.04 0.00 0.04 -0.78 -1.27 135.00 139.28 1k42 s PRO 144 Ca 0.16 1.07 -0.09 0.00 0.04 0.00 0.00 61.00 62.18 1k42 s PRO 144 Cb -0.17 -3.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1k42 s PRO 144 CO 0.15 -1.22 0.26 0.42 0.04 0.00 0.00 177.00 176.65 1k42 s ILE 145 N 4.52 5.30 0.22 0.56 -1.09 0.17 -2.87 121.20 128.01 1k42 s ILE 145 Ca 0.55 0.37 0.06 0.00 -2.23 0.00 0.00 60.65 59.40 1k42 s ILE 145 Cb -0.14 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 1k42 s ILE 145 CO 0.25 0.52 0.19 -1.00 -1.23 0.00 0.00 174.94 173.67 1k42 s HIS 146 N -1.14 3.15 0.11 3.97 3.76 -0.39 -1.08 115.29 123.67 1k42 s HIS 146 Ca 0.22 -0.07 -0.25 0.00 -0.15 0.00 0.00 55.06 54.81 1k42 s HIS 146 Cb -0.14 -1.45 0.07 0.00 1.11 0.00 0.00 32.58 32.18 1k42 s HIS 146 CO 0.11 0.52 0.65 -0.06 -0.85 0.00 0.00 174.74 175.10 1k42 s PHE 147 N -2.00 -0.54 0.00 1.40 0.40 0.30 -2.99 117.98 114.55 1k42 s PHE 147 Ca 0.32 0.45 0.00 0.00 -0.60 0.00 0.00 56.93 57.11 1k42 s PHE 147 Cb -0.09 0.53 0.00 0.00 0.51 0.00 0.00 43.02 43.98 1k42 s PHE 147 CO 0.25 -0.77 0.00 0.41 0.70 0.00 0.00 175.22 175.80 1k42 n GLY 148 N -0.14 0.89 3.56 4.36 0.00 -1.26 -0.47 105.19 112.14 1k42 n GLY 148 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.47 2.47 0.38 1.61 2.02 -1.26 -4.45 117.35 116.67 1k42 s TYR 149 Ca 0.00 -0.33 0.15 0.00 -0.37 0.00 0.00 57.07 56.51 1k42 s TYR 149 Cb 0.00 -1.19 0.85 0.00 -0.40 0.00 0.00 41.96 41.22 1k42 s TYR 149 CO 0.00 0.63 1.88 0.00 -1.57 0.00 0.00 175.55 176.49 1k42 h ALA 150 N 2.04 1.43 0.00 3.71 0.00 -1.97 -0.86 119.26 123.61 1k42 h ALA 150 Ca -0.42 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.21 1k42 h ALA 150 Cb 1.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1k42 h ALA 150 CO 0.62 0.38 0.00 0.00 0.00 0.00 0.00 179.25 180.26 1k42 n ALA 151 N -2.45 2.10 -0.38 0.00 0.00 -1.26 -2.33 120.51 116.19 1k42 n ALA 151 Ca -0.02 -0.07 0.07 0.00 0.00 0.00 0.00 53.44 53.42 1k42 n ALA 151 Cb 0.36 -1.40 0.19 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.58 3.28 -4.93 0.00 5.15 -0.36 -2.51 115.26 114.30 1k42 n ASN 152 Ca 0.06 -2.23 -0.25 0.00 -0.60 0.00 0.00 54.58 51.55 1k42 n ASN 152 Cb 0.29 -0.33 0.02 0.00 -0.53 0.00 0.00 39.78 39.23 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 -1.42 3.91 -1.23 3.44 1.01 -0.98 -4.12 120.40 121.01 1k42 s VAL 153 Ca 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 61.98 62.06 1k42 s VAL 153 Cb 0.18 -3.50 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1k42 s VAL 153 CO 0.16 -0.45 0.25 0.61 0.00 0.00 0.00 175.10 175.67 1k42 n GLY 154 N -2.35 -0.50 3.63 4.51 0.00 -0.61 -4.91 105.19 104.97 1k42 n GLY 154 Ca 0.03 0.05 -0.11 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 -2.36 -0.79 -0.23 1.61 -0.87 -1.12 -4.93 114.94 106.25 1k42 s ASN 155 Ca 0.18 1.44 -0.22 0.00 -1.57 0.00 0.00 52.86 52.68 1k42 s ASN 155 Cb -0.09 1.42 -0.02 0.00 -0.02 0.00 0.00 41.25 42.54 1k42 s ASN 155 CO 0.22 -0.24 0.71 -0.89 -2.57 0.00 0.00 177.10 174.33 1k42 s THR 156 N 0.77 4.93 -0.31 1.60 2.01 -1.26 -2.77 115.64 120.62 1k42 s THR 156 Ca -0.03 1.33 -0.12 0.00 0.31 0.00 0.00 61.69 63.17 1k42 s THR 156 Cb -0.05 -4.01 -0.03 0.00 0.01 0.00 0.00 72.50 68.42 1k42 s THR 156 CO -0.06 0.01 0.23 -0.63 -0.69 0.00 0.00 174.62 173.48 1k42 s ILE 157 N 2.48 5.28 -0.12 1.82 1.01 0.14 -1.35 121.20 130.46 1k42 s ILE 157 Ca 0.30 0.00 -0.10 0.00 0.00 0.00 0.00 60.65 60.85 1k42 s ILE 157 Cb -0.16 -3.64 -0.05 0.00 0.01 0.00 0.00 42.46 38.63 1k42 s ILE 157 CO 0.09 0.11 0.22 -0.31 0.00 0.00 0.00 174.94 175.04 1k42 s TYR 158 N 1.77 3.55 -0.00 3.97 1.51 -0.19 -1.21 117.35 126.75 1k42 s TYR 158 Ca 0.07 0.58 0.05 0.00 -1.01 0.00 0.00 57.07 56.76 1k42 s TYR 158 Cb -0.17 -2.13 -0.01 0.00 -0.11 0.00 0.00 41.96 39.54 1k42 s TYR 158 CO 0.11 0.52 -0.16 0.42 -1.11 0.00 0.00 175.55 175.33 1k42 s ILE 159 N -0.43 1.23 -0.29 2.71 1.01 -0.87 -1.57 121.20 122.99 1k42 s ILE 159 Ca 0.15 -0.74 -0.22 0.00 0.00 0.00 0.00 60.65 59.84 1k42 s ILE 159 Cb -0.13 -1.04 0.17 0.00 0.01 0.00 0.00 42.46 41.47 1k42 s ILE 159 CO 0.04 0.29 1.20 -0.62 0.00 0.00 0.00 174.94 175.85 1k42 s ASP 160 N -0.53 -0.26 0.00 3.58 -1.08 -0.54 -1.68 116.67 116.17 1k42 s ASP 160 Ca 0.05 0.46 0.00 0.00 -0.52 0.00 0.00 52.55 52.54 1k42 s ASP 160 Cb -0.06 0.70 0.00 0.00 -1.46 0.00 0.00 42.92 42.10 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 2.43 1.11 3.55 2.66 0.00 -1.26 -1.01 105.19 112.67 1k42 n GLY 161 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.52 1k42 n GLY 161 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1k42 s LEU 162 N 0.00 3.41 0.03 0.99 2.96 -1.24 -3.51 118.68 121.33 1k42 s LEU 162 Ca 0.00 1.13 0.03 0.00 -0.22 0.00 0.00 54.13 55.07 1k42 s LEU 162 Cb 0.00 -2.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.11 1k42 s LEU 162 CO 0.00 -2.83 -0.10 0.00 -1.32 0.00 0.00 176.35 172.10 1k42 s ALA 163 N 11.99 0.82 -0.24 5.97 0.00 -0.48 -3.98 121.76 135.84 1k42 s ALA 163 Ca 0.98 -0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.27 1k42 s ALA 163 Cb -0.18 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 22.91 1k42 s ALA 163 CO 0.26 0.12 -0.03 0.42 0.00 0.00 0.00 175.76 176.53 1k42 s ILE 164 N -0.85 1.41 -0.03 0.00 1.09 -1.26 -2.43 121.20 119.13 1k42 s ILE 164 Ca -0.02 -1.20 -0.25 0.00 -1.10 0.00 0.00 60.65 58.08 1k42 s ILE 164 Cb -0.07 -1.74 0.05 0.00 -1.06 0.00 0.00 42.46 39.64 1k42 s ILE 164 CO 0.01 -0.16 0.54 0.00 -0.10 0.00 0.00 174.94 175.22 1k42 s ALA 165 N 1.44 -1.39 0.03 9.38 0.00 -0.76 -2.63 121.76 127.83 1k42 s ALA 165 Ca -0.04 0.91 -0.19 0.00 0.00 0.00 0.00 51.96 52.65 1k42 s ALA 165 Cb -0.19 0.07 -0.21 0.00 0.00 0.00 0.00 23.12 22.79 1k42 s ALA 165 CO -0.07 -0.35 1.16 1.03 0.00 0.00 0.00 175.76 177.53 1k42 h SER 166 N 3.27 0.59 -2.99 0.00 0.87 -1.86 0.16 113.55 113.59 1k42 h SER 166 Ca -0.28 -0.71 -0.59 0.00 -1.23 0.00 0.00 61.79 58.98 1k42 h SER 166 Cb 1.16 -0.18 -0.40 0.00 -0.44 0.00 0.00 62.40 62.55 1k42 h SER 166 CO 0.40 1.21 -0.79 -1.10 -0.53 0.00 0.00 176.83 176.02 1k42 s GLN 167 N -3.42 0.79 0.00 2.24 1.11 -1.26 -4.67 119.66 114.45 1k42 s GLN 167 Ca -0.13 -1.46 0.29 0.00 0.01 0.00 0.00 55.36 54.07 1k42 s GLN 167 Cb 0.05 -1.72 1.72 0.00 -1.01 0.00 0.00 33.01 32.04 1k42 s GLN 167 CO 0.83 -1.15 2.06 -0.35 0.01 0.00 0.00 175.29 176.69