#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 3.60 0.30 -0.89 2.01 -1.26 -5.13 118.68 117.31 1k42 s LEU 2 Ca 0.00 -0.50 -0.12 0.00 0.01 0.00 0.00 54.13 53.52 1k42 s LEU 2 Cb 0.00 -2.50 0.01 0.00 0.01 0.00 0.00 46.19 43.72 1k42 s LEU 2 CO 0.00 -0.71 0.58 0.54 1.01 0.00 0.00 176.35 177.77 1k42 s VAL 3 N -2.37 0.00 0.08 -1.59 0.11 -1.26 -5.05 120.40 110.31 1k42 s VAL 3 Ca 0.53 -1.30 -0.13 0.00 -2.93 0.00 0.00 61.98 58.14 1k42 s VAL 3 Cb -0.08 -2.41 -0.23 0.00 -1.53 0.00 0.00 36.38 32.13 1k42 s VAL 3 CO 0.31 0.00 1.20 0.00 -3.33 0.00 0.00 175.10 173.29 1k42 h ALA 4 N 2.13 0.15 -2.91 1.54 0.00 -1.51 -3.44 119.26 115.23 1k42 h ALA 4 Ca -0.27 -0.70 -0.58 0.00 0.00 0.00 0.00 54.91 53.37 1k42 h ALA 4 Cb 1.25 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1k42 h ALA 4 CO 0.35 0.70 -0.14 1.21 0.00 0.00 0.00 179.25 181.37 1k42 s ASN 5 N -7.28 6.66 -0.13 0.00 2.47 -1.24 -2.41 114.94 113.01 1k42 s ASN 5 Ca -0.09 0.78 -0.01 0.00 0.42 0.00 0.00 52.86 53.96 1k42 s ASN 5 Cb 0.07 -2.28 -0.02 0.00 -1.45 0.00 0.00 41.25 37.57 1k42 s ASN 5 CO 0.92 -0.01 -0.12 -0.63 -3.72 0.00 0.00 177.10 173.54 1k42 s ILE 6 N 0.71 3.14 -0.95 -5.21 1.01 -1.26 -4.51 121.20 114.13 1k42 s ILE 6 Ca 0.25 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.27 1k42 s ILE 6 Cb -0.15 -2.33 0.00 0.00 0.01 0.00 0.00 42.46 39.99 1k42 s ILE 6 CO 0.10 0.52 0.00 0.59 0.00 0.00 0.00 174.94 176.15 1k42 n ASN 7 N 3.53 -3.65 -0.25 3.58 4.13 -1.26 -4.34 115.26 116.98 1k42 n ASN 7 Ca -0.18 0.04 0.32 0.00 1.68 0.00 0.00 54.58 56.45 1k42 n ASN 7 Cb 0.53 -2.74 0.63 0.00 -1.54 0.00 0.00 39.78 36.66 1k42 n ASN 7 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 1k42 h GLY 8 N 0.00 0.00 -5.18 7.41 0.00 -1.79 -0.99 103.07 102.52 1k42 h GLY 8 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.72 1k42 h GLY 8 CO 0.30 0.00 -1.11 0.61 0.00 0.00 0.00 176.54 176.34 1k42 n GLY 9 N -1.71 1.86 3.95 4.60 0.00 -1.26 -3.27 105.19 109.35 1k42 n GLY 9 Ca 0.24 -1.23 -0.35 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.04 -1.60 0.03 1.61 3.01 -0.37 -3.62 117.46 116.48 1k42 n PHE 10 Ca 0.11 0.42 -0.07 0.00 1.01 0.00 0.00 57.45 58.91 1k42 n PHE 10 Cb 0.79 -3.22 -0.12 0.00 -0.01 0.00 0.00 39.48 36.92 1k42 n PHE 10 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1k42 h GLU 11 N -2.11 0.00 0.02 -1.08 5.08 -1.78 -3.38 114.58 111.32 1k42 h GLU 11 Ca -0.67 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 57.33 1k42 h GLU 11 Cb 1.38 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.58 1k42 h GLU 11 CO 0.56 0.75 -2.00 -1.13 -1.00 0.00 0.00 179.01 176.18 1k42 n SER 12 N -3.20 1.95 -4.75 1.42 3.41 -1.26 -4.86 113.62 106.32 1k42 n SER 12 Ca -0.07 0.29 -0.42 0.00 -0.26 0.00 0.00 58.87 58.42 1k42 n SER 12 Cb 0.97 -0.83 -0.01 0.00 -0.26 0.00 0.00 64.21 64.08 1k42 n SER 12 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1k42 n THR 13 N -4.10 1.15 -2.66 6.66 -1.04 -1.26 -4.95 114.28 108.09 1k42 n THR 13 Ca -0.42 -0.29 -0.36 0.00 -2.04 0.00 0.00 64.05 60.94 1k42 n THR 13 Cb 0.85 -1.98 -0.05 0.00 -1.82 0.00 0.00 70.33 67.32 1k42 n THR 13 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 1k42 s PRO 14 N -0.72 4.30 1.02 -2.82 0.04 -1.26 -4.95 135.00 130.61 1k42 s PRO 14 Ca 0.62 1.40 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 1k42 s PRO 14 Cb -0.49 -2.56 -0.07 0.00 0.04 0.00 0.00 34.50 31.42 1k42 s PRO 14 CO 0.50 -0.00 -0.89 0.00 0.04 0.00 0.00 177.00 176.66 1k42 n ALA 15 N 0.02 -4.63 0.00 8.56 0.00 -1.26 -4.93 120.51 118.28 1k42 n ALA 15 Ca 0.04 -1.30 0.00 0.00 0.00 0.00 0.00 53.44 52.18 1k42 n ALA 15 Cb 0.50 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 2.93 4.28 3.72 0.00 0.00 -1.17 -4.93 105.19 110.02 1k42 n GLY 16 Ca -0.01 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.11 1.84 -3.37 1.61 3.14 -1.26 -2.90 118.33 117.28 1k42 n VAL 17 Ca 0.00 -0.46 -0.36 0.00 -2.96 0.00 0.00 64.34 60.55 1k42 n VAL 17 Cb 0.00 -1.71 -0.06 0.00 -1.06 0.00 0.00 33.84 31.02 1k42 n VAL 17 CO 0.00 0.00 0.00 -0.69 -6.46 0.00 0.00 176.83 169.68 1k42 s VAL 18 N -0.94 4.86 -0.18 1.55 1.01 -0.43 -4.90 120.40 121.37 1k42 s VAL 18 Ca 0.56 0.91 0.18 0.00 0.00 0.00 0.00 61.98 63.63 1k42 s VAL 18 Cb -0.54 -3.77 -0.25 0.00 0.00 0.00 0.00 36.38 31.82 1k42 s VAL 18 CO 0.61 0.38 0.09 1.07 0.00 0.00 0.00 175.10 177.24 1k42 n THR 19 N 1.19 1.27 -3.70 3.92 5.66 -1.26 -4.76 114.28 116.60 1k42 n THR 19 Ca -0.08 -0.81 -0.30 0.00 -3.05 0.00 0.00 64.05 59.81 1k42 n THR 19 Cb 0.52 -0.45 -0.14 0.00 -1.55 0.00 0.00 70.33 68.71 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 -5.35 3.74 0.55 1.09 1.01 -1.26 -4.97 116.67 111.49 1k42 s ASP 20 Ca -0.10 -2.19 0.34 0.00 0.71 0.00 0.00 52.55 51.32 1k42 s ASP 20 Cb 0.06 -0.91 1.51 0.00 1.01 0.00 0.00 42.92 44.59 1k42 s ASP 20 CO 0.81 -0.33 1.81 0.17 0.21 0.00 0.00 175.17 177.84 1k42 h LEU 21 N 7.29 0.00 0.67 1.23 -0.00 -1.91 0.45 115.31 123.05 1k42 h LEU 21 Ca -0.05 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.80 1k42 h LEU 21 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1k42 h LEU 21 CO 0.46 0.00 -0.35 0.00 -0.00 0.00 0.00 178.44 178.55 1k42 h ALA 22 N 1.41 -0.94 -0.89 0.17 0.00 -1.94 -2.70 119.26 114.37 1k42 h ALA 22 Ca 0.49 -0.20 -0.56 0.00 0.00 0.00 0.00 54.91 54.65 1k42 h ALA 22 Cb 2.06 0.40 -0.43 0.00 0.00 0.00 0.00 17.79 19.82 1k42 h ALA 22 CO -0.01 -1.04 -0.80 -0.85 0.00 0.00 0.00 179.25 176.56 1k42 n GLU 23 N -5.50 3.59 0.07 0.00 0.28 -0.44 -4.20 120.64 114.44 1k42 n GLU 23 Ca -0.13 -4.23 -0.21 0.00 -0.16 0.00 0.00 57.16 52.42 1k42 n GLU 23 Cb 0.39 -2.27 -0.12 0.00 1.43 0.00 0.00 31.44 30.86 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 2.25 0.74 -6.06 -1.84 0.00 -0.21 -3.46 103.07 94.49 1k42 h GLY 24 Ca 0.36 -1.43 -0.25 0.00 0.00 0.00 0.00 47.33 46.00 1k42 h GLY 24 CO 0.78 1.26 -0.66 0.14 0.00 0.00 0.00 176.54 178.06 1k42 s VAL 25 N -3.11 -0.03 0.36 4.60 1.01 -1.26 -4.99 120.40 116.97 1k42 s VAL 25 Ca -0.09 0.13 -0.27 0.00 0.00 0.00 0.00 61.98 61.74 1k42 s VAL 25 Cb 0.06 -0.14 -0.09 0.00 0.00 0.00 0.00 36.38 36.21 1k42 s VAL 25 CO 0.93 0.05 1.24 -0.70 0.00 0.00 0.00 175.10 176.62 1k42 s GLU 26 N 0.72 4.24 0.00 2.72 2.56 -1.26 -3.01 118.70 124.67 1k42 s GLU 26 Ca -0.06 2.05 0.00 0.00 0.00 0.00 0.00 54.97 56.96 1k42 s GLU 26 Cb -0.08 -2.92 0.00 0.00 2.00 0.00 0.00 34.13 33.13 1k42 s GLU 26 CO -0.03 -0.22 0.00 0.41 -0.56 0.00 0.00 175.26 174.86 1k42 n GLY 27 N 0.79 2.35 2.79 -1.50 0.00 -1.24 -4.76 105.19 103.61 1k42 n GLY 27 Ca 0.02 -0.21 -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 -1.98 0.73 -0.32 1.61 0.52 -1.16 -1.46 118.94 116.87 1k42 s TRP 28 Ca 0.00 -0.21 -0.03 0.00 0.02 0.00 0.00 56.10 55.88 1k42 s TRP 28 Cb 0.00 -0.81 0.05 0.00 -1.15 0.00 0.00 33.47 31.55 1k42 s TRP 28 CO 0.00 -0.33 0.04 -0.51 0.02 0.00 0.00 176.95 176.18 1k42 s ASP 29 N 1.85 5.05 0.68 2.95 1.11 0.48 -4.42 116.67 124.37 1k42 s ASP 29 Ca 0.03 -1.24 -0.03 0.00 0.18 0.00 0.00 52.55 51.49 1k42 s ASP 29 Cb -0.12 -1.77 0.09 0.00 1.07 0.00 0.00 42.92 42.18 1k42 s ASP 29 CO -0.05 -0.29 0.96 -0.76 1.18 0.00 0.00 175.17 176.21 1k42 s LEU 30 N 1.30 3.01 -0.28 1.23 1.43 -1.02 -1.39 118.68 122.95 1k42 s LEU 30 Ca -0.04 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 52.89 1k42 s LEU 30 Cb -0.20 -2.53 0.10 0.00 0.03 0.00 0.00 46.19 43.59 1k42 s LEU 30 CO 0.00 -1.65 0.71 0.20 0.23 0.00 0.00 176.35 175.84 1k42 s ASN 31 N -4.60 -0.94 -0.11 2.29 -0.87 -1.15 -3.89 114.94 105.65 1k42 s ASN 31 Ca 0.63 1.46 0.02 0.00 -1.57 0.00 0.00 52.86 53.40 1k42 s ASN 31 Cb -0.08 1.55 -0.01 0.00 -0.02 0.00 0.00 41.25 42.69 1k42 s ASN 31 CO 0.43 -0.23 -0.19 0.68 -2.57 0.00 0.00 177.10 175.23 1k42 s VAL 32 N 1.86 2.54 0.44 1.60 -7.23 -1.26 -0.95 120.40 117.39 1k42 s VAL 32 Ca -0.09 -0.85 0.07 0.00 -1.81 0.00 0.00 61.98 59.30 1k42 s VAL 32 Cb -0.06 -2.02 -0.01 0.00 0.56 0.00 0.00 36.38 34.85 1k42 s VAL 32 CO -0.19 0.54 0.36 -0.83 -0.31 0.00 0.00 175.10 174.67 1k42 s GLY 33 N 0.34 2.20 0.55 2.32 0.00 -1.07 -4.96 107.32 106.70 1k42 s GLY 33 Ca -0.15 -1.83 0.41 0.00 0.00 0.00 0.00 44.72 43.15 1k42 s GLY 33 CO 0.07 -1.77 1.73 1.76 0.00 0.00 0.00 173.10 174.89 1k42 h SER 34 N 1.02 0.00 -0.60 1.64 0.02 -1.96 0.51 113.55 114.18 1k42 h SER 34 Ca -0.40 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 60.66 1k42 h SER 34 Cb 1.27 0.00 -0.12 0.00 0.14 0.00 0.00 62.40 63.69 1k42 h SER 34 CO 0.59 0.00 -0.31 0.28 -1.14 0.00 0.00 176.83 176.25 1k42 h SER 35 N 0.00 -1.07 -0.65 3.07 0.02 -1.90 -3.36 113.55 109.65 1k42 h SER 35 Ca 0.68 0.22 -0.54 0.00 -0.84 0.00 0.00 61.79 61.31 1k42 h SER 35 Cb 2.74 0.55 -0.04 0.00 0.14 0.00 0.00 62.40 65.78 1k42 h SER 35 CO -0.01 -0.29 1.63 0.52 -1.14 0.00 0.00 176.83 177.54 1k42 n VAL 36 N -5.44 0.01 0.11 2.27 0.31 0.17 -4.15 118.33 111.60 1k42 n VAL 36 Ca 0.05 -0.28 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 1k42 n VAL 36 Cb 0.36 -1.36 -0.02 0.00 -0.91 0.00 0.00 33.84 31.90 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 7.68 0.98 -3.56 2.52 2.02 -1.73 -3.45 112.91 117.37 1k42 h THR 37 Ca -0.15 -2.43 -0.67 0.00 0.77 0.00 0.00 66.41 63.93 1k42 h THR 37 Cb 1.31 2.45 -0.16 0.00 -1.74 0.00 0.00 68.15 70.01 1k42 h THR 37 CO 1.23 0.56 -0.72 0.20 0.37 0.00 0.00 175.52 177.17 1k42 s ASN 38 N -6.41 4.55 -0.42 4.18 0.02 -1.25 -5.07 114.94 110.55 1k42 s ASN 38 Ca 0.02 -0.27 -0.29 0.00 -1.02 0.00 0.00 52.86 51.30 1k42 s ASN 38 Cb 0.08 -0.97 0.02 0.00 0.02 0.00 0.00 41.25 40.40 1k42 s ASN 38 CO 0.77 0.22 1.29 -2.16 0.02 0.00 0.00 177.10 177.24 1k42 s PRO 39 N -1.92 3.68 0.64 -0.60 0.04 -1.26 -4.87 135.00 130.71 1k42 s PRO 39 Ca 0.20 0.85 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1k42 s PRO 39 Cb -0.11 -3.96 -0.03 0.00 0.04 0.00 0.00 34.50 30.44 1k42 s PRO 39 CO 0.12 -1.43 1.04 -1.25 0.04 0.00 0.00 177.00 175.52 1k42 s PRO 40 N 4.64 3.44 -0.23 0.56 0.04 -1.26 -4.81 135.00 137.38 1k42 s PRO 40 Ca 0.55 0.68 -0.05 0.00 0.04 0.00 0.00 61.00 62.23 1k42 s PRO 40 Cb -0.12 -2.07 -0.01 0.00 0.04 0.00 0.00 34.50 32.34 1k42 s PRO 40 CO 0.31 -0.67 -0.00 0.08 0.04 0.00 0.00 177.00 176.76 1k42 s VAL 41 N -3.22 3.69 -0.34 -0.36 1.01 -1.12 -4.89 120.40 115.18 1k42 s VAL 41 Ca 0.56 -0.40 -0.09 0.00 0.00 0.00 0.00 61.98 62.05 1k42 s VAL 41 Cb -0.11 -2.71 0.02 0.00 0.00 0.00 0.00 36.38 33.58 1k42 s VAL 41 CO 0.53 0.38 0.16 -0.36 0.00 0.00 0.00 175.10 175.81 1k42 s PHE 42 N 1.52 3.21 -0.08 5.22 0.08 -1.26 -2.28 117.98 124.39 1k42 s PHE 42 Ca 0.06 -0.95 -0.22 0.00 0.12 0.00 0.00 56.93 55.94 1k42 s PHE 42 Cb -0.15 -2.36 0.05 0.00 -0.57 0.00 0.00 43.02 39.99 1k42 s PHE 42 CO -0.01 -0.61 0.51 -2.00 -0.10 0.00 0.00 175.22 173.02 1k42 s GLU 43 N 1.53 0.80 0.18 0.44 -6.30 -1.12 -1.32 118.70 112.92 1k42 s GLU 43 Ca 0.02 0.25 -0.10 0.00 -2.50 0.00 0.00 54.97 52.64 1k42 s GLU 43 Cb -0.18 0.37 -0.07 0.00 0.00 0.00 0.00 34.13 34.25 1k42 s GLU 43 CO 0.05 -0.21 0.50 0.08 0.02 0.00 0.00 175.26 175.71 1k42 s VAL 44 N -0.80 4.98 0.04 3.70 1.01 -1.14 -0.47 120.40 127.71 1k42 s VAL 44 Ca -0.09 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.39 1k42 s VAL 44 Cb -0.03 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.69 1k42 s VAL 44 CO 0.05 0.04 -0.12 -0.22 0.00 0.00 0.00 175.10 174.86 1k42 s LEU 45 N -2.54 2.19 -0.23 3.92 0.20 -0.61 -3.05 118.68 118.56 1k42 s LEU 45 Ca 0.43 -0.47 0.00 0.00 0.69 0.00 0.00 54.13 54.78 1k42 s LEU 45 Cb -0.12 -0.46 0.03 0.00 -0.43 0.00 0.00 46.19 45.21 1k42 s LEU 45 CO 0.21 -0.03 -0.11 -1.61 -0.29 0.00 0.00 176.35 174.51 1k42 s GLU 46 N -1.25 2.71 0.24 1.98 2.02 -1.26 -2.13 118.70 121.01 1k42 s GLU 46 Ca -0.01 -1.04 -0.01 0.00 0.02 0.00 0.00 54.97 53.92 1k42 s GLU 46 Cb -0.08 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 1k42 s GLU 46 CO 0.01 -0.40 0.23 0.95 0.02 0.00 0.00 175.26 176.07 1k42 s THR 47 N 1.25 0.00 -1.75 3.63 -4.23 -1.02 -5.02 115.64 108.50 1k42 s THR 47 Ca -0.01 -1.89 0.13 0.00 -1.18 0.00 0.00 61.69 58.73 1k42 s THR 47 Cb -0.17 -2.47 0.41 0.00 1.34 0.00 0.00 72.50 71.61 1k42 s THR 47 CO -0.07 0.00 1.32 -1.20 -0.54 0.00 0.00 174.62 174.13 1k42 n SER 48 N -0.59 2.64 -0.00 3.99 7.64 -1.26 -3.75 113.62 122.28 1k42 n SER 48 Ca 0.02 -2.10 0.09 0.00 1.01 0.00 0.00 58.87 57.90 1k42 n SER 48 Cb 0.64 -0.35 -0.12 0.00 -1.01 0.00 0.00 64.21 63.37 1k42 n SER 48 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1k42 n ASP 49 N 0.73 0.83 -4.54 6.43 2.03 -1.26 -4.98 116.55 115.79 1k42 n ASP 49 Ca 0.15 -0.38 -0.41 0.00 0.52 0.00 0.00 54.79 54.67 1k42 n ASP 49 Cb 0.45 1.48 0.02 0.00 -0.72 0.00 0.00 41.12 42.35 1k42 n ASP 49 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1k42 n ALA 50 N -1.83 -0.56 0.07 -1.67 0.00 -1.25 -4.90 120.51 110.38 1k42 n ALA 50 Ca -0.01 0.16 -0.21 0.00 0.00 0.00 0.00 53.44 53.38 1k42 n ALA 50 Cb 0.39 -1.95 -0.14 0.00 0.00 0.00 0.00 19.45 17.76 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 1.03 0.50 -4.65 0.00 0.13 -1.92 -3.43 132.00 123.65 1k42 h PRO 51 Ca -0.43 -0.70 -0.69 0.00 -0.87 0.00 0.00 66.00 63.30 1k42 h PRO 51 Cb 1.37 0.24 -0.30 0.00 0.13 0.00 0.00 31.00 32.44 1k42 h PRO 51 CO 0.53 1.31 -0.61 -2.00 -0.23 0.00 0.00 178.00 177.01 1k42 s GLU 52 N -2.82 2.50 7.43 0.86 2.56 -1.26 -4.97 118.70 123.01 1k42 s GLU 52 Ca -0.11 -1.30 0.00 0.00 0.00 0.00 0.00 54.97 53.56 1k42 s GLU 52 Cb 0.04 -3.44 0.00 0.00 2.00 0.00 0.00 34.13 32.73 1k42 s GLU 52 CO 0.89 -0.73 0.00 0.41 -0.56 0.00 0.00 175.26 175.27 1k42 n GLY 53 N 4.75 2.72 0.99 -1.50 0.00 -1.26 -3.91 105.19 106.98 1k42 n GLY 53 Ca -0.11 -0.13 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 9.54 -0.98 -3.93 1.61 0.23 -1.26 -4.68 115.26 115.78 1k42 n ASN 54 Ca 0.00 -1.98 -0.15 0.00 -0.53 0.00 0.00 54.58 51.92 1k42 n ASN 54 Cb 0.00 0.30 -0.15 0.00 -2.08 0.00 0.00 39.78 37.85 1k42 n ASN 54 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1k42 s LYS 55 N 0.00 0.34 0.30 -3.83 1.02 -1.25 -2.45 119.74 113.87 1k42 s LYS 55 Ca 0.00 -0.12 -0.08 0.00 0.02 0.00 0.00 55.97 55.79 1k42 s LYS 55 Cb 0.00 -0.35 0.00 0.00 -0.52 0.00 0.00 37.83 36.96 1k42 s LYS 55 CO 0.00 0.06 0.48 0.14 -0.92 0.00 0.00 175.35 175.11 1k42 s VAL 56 N 0.05 0.00 -0.48 3.17 -7.23 -0.91 -4.47 120.40 110.53 1k42 s VAL 56 Ca -0.00 -1.50 -0.13 0.00 -1.81 0.00 0.00 61.98 58.55 1k42 s VAL 56 Cb -0.03 -2.47 0.10 0.00 0.56 0.00 0.00 36.38 34.54 1k42 s VAL 56 CO -0.00 0.00 0.38 -0.22 -0.31 0.00 0.00 175.10 174.95 1k42 s LEU 57 N -3.13 5.71 -0.24 1.32 2.96 -0.72 -1.58 118.68 123.01 1k42 s LEU 57 Ca 0.26 -1.67 -0.28 0.00 -0.22 0.00 0.00 54.13 52.23 1k42 s LEU 57 Cb -0.00 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.59 1k42 s LEU 57 CO 0.14 -0.70 0.98 0.00 -1.32 0.00 0.00 176.35 175.45 1k42 s ALA 58 N 1.50 3.67 0.02 5.97 0.00 0.38 -2.24 121.76 131.06 1k42 s ALA 58 Ca 0.04 0.08 0.05 0.00 0.00 0.00 0.00 51.96 52.13 1k42 s ALA 58 Cb -0.26 -3.47 -0.03 0.00 0.00 0.00 0.00 23.12 19.35 1k42 s ALA 58 CO 0.03 -1.02 -0.12 0.08 0.00 0.00 0.00 175.76 174.73 1k42 s VAL 59 N 3.10 3.27 -0.65 0.00 1.01 -0.37 -2.81 120.40 123.96 1k42 s VAL 59 Ca 0.41 -0.95 -0.04 0.00 0.00 0.00 0.00 61.98 61.40 1k42 s VAL 59 Cb -0.15 -2.40 0.17 0.00 0.00 0.00 0.00 36.38 33.99 1k42 s VAL 59 CO 0.07 0.37 0.48 -0.89 0.00 0.00 0.00 175.10 175.13 1k42 s THR 60 N -0.96 3.98 -0.11 3.92 2.01 -0.97 0.09 115.64 123.61 1k42 s THR 60 Ca 0.16 -2.88 -0.23 0.00 0.31 0.00 0.00 61.69 59.05 1k42 s THR 60 Cb -0.11 -3.57 -0.03 0.00 0.01 0.00 0.00 72.50 68.80 1k42 s THR 60 CO 0.06 -0.90 0.72 -0.69 -0.69 0.00 0.00 174.62 173.13 1k42 s VAL 61 N -0.01 5.01 -0.40 3.82 1.01 -1.11 -2.78 120.40 125.94 1k42 s VAL 61 Ca 0.17 1.45 0.10 0.00 0.00 0.00 0.00 61.98 63.70 1k42 s VAL 61 Cb -0.19 -4.05 0.36 0.00 0.00 0.00 0.00 36.38 32.50 1k42 s VAL 61 CO -0.04 0.19 1.02 -0.46 0.00 0.00 0.00 175.10 175.80 1k42 n ASN 62 N 4.25 -0.78 0.00 3.32 0.23 -1.26 -2.01 115.26 119.01 1k42 n ASN 62 Ca -0.00 -3.15 0.00 0.00 -0.53 0.00 0.00 54.58 50.90 1k42 n ASN 62 Cb 0.51 0.66 0.00 0.00 -2.08 0.00 0.00 39.78 38.86 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 0.12 1.82 2.29 4.83 0.00 -1.26 -4.73 105.19 108.26 1k42 n GLY 63 Ca 0.11 0.11 -0.17 0.00 0.00 0.00 0.00 46.02 46.06 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 -4.53 1.61 0.24 -1.26 -3.75 118.33 110.64 1k42 n VAL 64 Ca 0.00 -0.58 -0.25 0.00 -2.04 0.00 0.00 64.34 61.47 1k42 n VAL 64 Cb 0.00 -1.71 -0.06 0.00 -1.47 0.00 0.00 33.84 30.60 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 -0.18 3.44 0.28 7.63 0.00 -1.26 -3.87 105.19 111.24 1k42 n GLY 65 Ca 0.10 -2.19 0.18 0.00 0.00 0.00 0.00 46.02 44.10 1k42 n GLY 65 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1k42 h ASN 66 N 1.31 0.00 -2.99 1.61 4.21 -1.95 -3.43 115.58 114.34 1k42 h ASN 66 Ca -0.32 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.58 1k42 h ASN 66 Cb 1.10 0.00 -0.09 0.00 -1.12 0.00 0.00 38.32 38.21 1k42 h ASN 66 CO 0.51 0.01 -0.61 0.20 -1.29 0.00 0.00 177.43 176.26 1k42 s ASN 67 N -5.65 5.32 0.00 5.81 0.01 -1.26 -4.99 114.94 114.18 1k42 s ASN 67 Ca 0.00 -0.14 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 1k42 s ASN 67 Cb 0.10 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.41 1k42 s ASN 67 CO 0.53 0.12 0.81 -0.81 -1.51 0.00 0.00 177.10 176.24 1k42 n PRO 68 N 0.09 0.93 -2.86 -0.60 -0.04 -1.26 -3.83 135.00 127.43 1k42 n PRO 68 Ca -0.09 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.21 1k42 n PRO 68 Cb 0.53 -1.12 -0.00 0.00 -0.04 0.00 0.00 33.50 32.87 1k42 n PRO 68 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1k42 n TRP 69 N -0.36 1.37 -0.05 0.54 2.14 -1.26 -4.56 117.44 115.27 1k42 n TRP 69 Ca 0.00 -3.32 -0.18 0.00 2.07 0.00 0.00 57.50 56.07 1k42 n TRP 69 Cb 0.06 -0.37 -0.13 0.00 -0.81 0.00 0.00 31.31 30.06 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 2.95 0.14 -2.96 -0.67 3.32 -1.66 -3.43 116.42 114.11 1k42 h ASP 70 Ca 0.04 -0.85 -0.61 0.00 0.02 0.00 0.00 57.03 55.63 1k42 h ASP 70 Cb 1.00 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 40.47 1k42 h ASP 70 CO 0.57 1.28 -0.44 -0.63 -1.72 0.00 0.00 179.24 178.30 1k42 s ILE 71 N -2.33 5.33 0.08 0.35 -1.09 -1.07 -2.59 121.20 119.88 1k42 s ILE 71 Ca -0.21 -0.21 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 1k42 s ILE 71 Cb 0.01 -3.61 -0.04 0.00 -1.58 0.00 0.00 42.46 37.24 1k42 s ILE 71 CO 0.70 0.16 -0.05 -0.70 -1.23 0.00 0.00 174.94 173.82 1k42 s GLU 72 N -2.41 0.75 -0.30 2.79 2.12 -0.13 -0.66 118.70 120.86 1k42 s GLU 72 Ca 0.35 -1.29 -0.01 0.00 0.36 0.00 0.00 54.97 54.38 1k42 s GLU 72 Cb -0.13 -0.01 0.19 0.00 0.26 0.00 0.00 34.13 34.44 1k42 s GLU 72 CO 0.25 -0.07 0.67 0.00 -0.54 0.00 0.00 175.26 175.58 1k42 s ALA 73 N -3.77 -2.54 0.36 6.30 0.00 0.38 -2.94 121.76 119.56 1k42 s ALA 73 Ca 0.10 1.54 0.09 0.00 0.00 0.00 0.00 51.96 53.69 1k42 s ALA 73 Cb 0.07 -2.35 -0.07 0.00 0.00 0.00 0.00 23.12 20.76 1k42 s ALA 73 CO -0.07 -1.54 -0.06 0.99 0.00 0.00 0.00 175.76 175.09 1k42 s THR 74 N 2.87 2.11 -0.03 0.00 2.01 -0.49 -0.09 115.64 122.02 1k42 s THR 74 Ca 0.16 -2.14 0.05 0.00 0.31 0.00 0.00 61.69 60.07 1k42 s THR 74 Cb -0.12 -2.72 -0.01 0.00 0.01 0.00 0.00 72.50 69.65 1k42 s THR 74 CO -0.21 -0.15 -0.19 0.00 -0.69 0.00 0.00 174.62 173.37 1k42 s ALA 75 N -2.68 1.66 0.00 7.40 0.00 -0.93 -0.39 121.76 126.81 1k42 s ALA 75 Ca 0.33 -0.82 0.00 0.00 0.00 0.00 0.00 51.96 51.47 1k42 s ALA 75 Cb 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.69 1k42 s ALA 75 CO 0.16 0.36 0.00 1.97 0.00 0.00 0.00 175.76 178.26 1k42 n PHE 76 N 2.82 0.00 -1.95 0.00 1.16 -0.54 -2.54 117.46 116.42 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 0.53 0.00 0.06 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 2.45 0.11 3.97 0.04 -1.26 -3.73 135.00 134.58 1k42 s PRO 77 Ca 0.00 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.35 1k42 s PRO 77 Cb 0.00 -2.02 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 1k42 s PRO 77 CO 0.00 -1.25 -0.19 0.08 0.04 0.00 0.00 177.00 175.68 1k42 s VAL 78 N -3.42 1.61 -0.18 -0.36 1.01 -0.73 -4.31 120.40 114.02 1k42 s VAL 78 Ca 0.60 -1.60 -0.01 0.00 0.00 0.00 0.00 61.98 60.96 1k42 s VAL 78 Cb -0.11 -1.54 -0.00 0.00 0.00 0.00 0.00 36.38 34.72 1k42 s VAL 78 CO 0.50 -0.17 -0.11 0.20 0.00 0.00 0.00 175.10 175.52 1k42 s ASN 79 N -2.09 3.89 0.17 3.32 0.01 -1.01 -2.78 114.94 116.45 1k42 s ASN 79 Ca 0.07 -0.45 0.01 0.00 -0.71 0.00 0.00 52.86 51.79 1k42 s ASN 79 Cb -0.09 -1.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.94 1k42 s ASN 79 CO 0.04 0.04 0.05 1.33 -1.51 0.00 0.00 177.10 177.05 1k42 n VAL 80 N 4.40 0.00 -3.99 1.60 0.24 -0.73 -4.45 118.33 115.40 1k42 n VAL 80 Ca -0.19 -0.96 -0.11 0.00 -2.04 0.00 0.00 64.34 61.04 1k42 n VAL 80 Cb 0.51 0.33 -0.12 0.00 -1.47 0.00 0.00 33.84 33.09 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 -2.63 0.28 -0.44 7.34 3.52 -1.26 -4.72 118.95 121.03 1k42 s ARG 81 Ca 0.08 -0.41 -0.29 0.00 -0.13 0.00 0.00 55.73 54.98 1k42 s ARG 81 Cb 0.00 -0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.35 1k42 s ARG 81 CO 0.05 0.00 1.28 -1.25 -0.81 0.00 0.00 175.30 174.58 1k42 s PRO 82 N -0.90 3.66 0.00 5.12 0.04 -1.26 -3.26 135.00 138.39 1k42 s PRO 82 Ca -0.08 0.78 0.00 0.00 0.04 0.00 0.00 61.00 61.74 1k42 s PRO 82 Cb -0.06 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1k42 s PRO 82 CO -0.00 -1.47 0.00 0.41 0.04 0.00 0.00 177.00 175.98 1k42 n GLY 83 N 4.94 2.13 3.84 0.56 0.00 -1.26 -5.07 105.19 110.34 1k42 n GLY 83 Ca 0.14 -0.53 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.96 4.63 0.06 1.61 1.01 -1.20 -4.97 120.40 120.58 1k42 s VAL 84 Ca 0.00 1.04 -0.08 0.00 0.00 0.00 0.00 61.98 62.93 1k42 s VAL 84 Cb 0.00 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1k42 s VAL 84 CO 0.00 -0.18 0.36 0.28 0.00 0.00 0.00 175.10 175.55 1k42 s THR 85 N -1.99 5.16 0.23 3.92 -1.32 -1.26 -4.07 115.64 116.32 1k42 s THR 85 Ca 0.55 0.33 0.10 0.00 -1.21 0.00 0.00 61.69 61.46 1k42 s THR 85 Cb -0.10 -3.62 -0.05 0.00 -1.51 0.00 0.00 72.50 67.22 1k42 s THR 85 CO 0.17 0.29 -0.18 -0.31 -2.21 0.00 0.00 174.62 172.39 1k42 s TYR 86 N -1.39 2.00 0.10 9.09 1.51 -0.72 -4.35 117.35 123.59 1k42 s TYR 86 Ca 0.32 -0.45 0.09 0.00 -1.01 0.00 0.00 57.07 56.03 1k42 s TYR 86 Cb -0.14 -0.91 -0.04 0.00 -0.11 0.00 0.00 41.96 40.77 1k42 s TYR 86 CO 0.18 0.51 -0.22 0.99 -1.11 0.00 0.00 175.55 175.90 1k42 s THR 87 N -2.59 2.54 -0.28 -0.71 2.01 -0.35 -2.32 115.64 113.94 1k42 s THR 87 Ca 0.25 -1.53 0.01 0.00 0.31 0.00 0.00 61.69 60.73 1k42 s THR 87 Cb -0.04 -2.11 0.08 0.00 0.01 0.00 0.00 72.50 70.44 1k42 s THR 87 CO 0.10 0.17 0.02 -0.31 -0.69 0.00 0.00 174.62 173.92 1k42 s TYR 88 N -1.03 2.38 0.07 4.92 1.51 -1.08 -2.05 117.35 122.07 1k42 s TYR 88 Ca 0.15 -1.96 0.06 0.00 -1.01 0.00 0.00 57.07 54.32 1k42 s TYR 88 Cb -0.10 -1.87 -0.04 0.00 -0.11 0.00 0.00 41.96 39.84 1k42 s TYR 88 CO 0.07 -0.83 -0.10 0.99 -1.11 0.00 0.00 175.55 174.56 1k42 s THR 89 N 1.39 3.37 0.15 -0.71 2.01 -1.05 -2.33 115.64 118.48 1k42 s THR 89 Ca 0.03 -1.15 -0.12 0.00 0.31 0.00 0.00 61.69 60.77 1k42 s THR 89 Cb -0.18 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.80 1k42 s THR 89 CO -0.13 0.20 0.34 -0.51 -0.69 0.00 0.00 174.62 173.83 1k42 s ILE 90 N -1.13 0.07 -0.08 1.82 2.07 -0.14 -1.38 121.20 122.43 1k42 s ILE 90 Ca 0.20 -1.11 0.03 0.00 -1.41 0.00 0.00 60.65 58.36 1k42 s ILE 90 Cb -0.11 -1.61 0.01 0.00 0.13 0.00 0.00 42.46 40.88 1k42 s ILE 90 CO 0.11 -0.32 -0.16 0.26 -1.91 0.00 0.00 174.94 172.92 1k42 s TRP 91 N -3.91 1.84 0.06 3.50 0.52 -0.45 -1.44 118.94 119.06 1k42 s TRP 91 Ca 0.11 -0.73 0.09 0.00 0.02 0.00 0.00 56.10 55.59 1k42 s TRP 91 Cb 0.02 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 31.02 1k42 s TRP 91 CO -0.04 -0.34 -0.24 0.00 0.02 0.00 0.00 176.95 176.35 1k42 s ALA 92 N 0.60 2.07 -0.28 0.98 0.00 -1.13 -1.62 121.76 122.39 1k42 s ALA 92 Ca -0.15 -1.23 -0.08 0.00 0.00 0.00 0.00 51.96 50.50 1k42 s ALA 92 Cb -0.16 -0.40 0.13 0.00 0.00 0.00 0.00 23.12 22.69 1k42 s ALA 92 CO 0.05 0.47 0.58 0.50 0.00 0.00 0.00 175.76 177.36 1k42 s ARG 93 N -1.41 0.51 0.36 0.00 3.52 -0.78 -1.53 118.95 119.62 1k42 s ARG 93 Ca 0.10 1.27 0.07 0.00 -0.13 0.00 0.00 55.73 57.04 1k42 s ARG 93 Cb -0.10 0.66 -0.02 0.00 -1.56 0.00 0.00 34.95 33.93 1k42 s ARG 93 CO 0.03 -0.29 0.35 0.00 -0.81 0.00 0.00 175.30 174.59 1k42 s ALA 94 N 2.82 3.99 0.04 6.12 0.00 -1.12 -1.02 121.76 132.59 1k42 s ALA 94 Ca -0.01 -1.70 -0.25 0.00 0.00 0.00 0.00 51.96 50.00 1k42 s ALA 94 Cb -0.13 -1.21 -0.17 0.00 0.00 0.00 0.00 23.12 21.61 1k42 s ALA 94 CO -0.18 -0.08 1.48 1.49 0.00 0.00 0.00 175.76 178.47 1k42 h GLU 95 N 1.11 -0.21 -6.25 0.00 4.81 -1.54 -3.38 114.58 109.11 1k42 h GLU 95 Ca -0.44 0.01 -0.69 0.00 -0.13 0.00 0.00 59.36 58.12 1k42 h GLU 95 Cb 1.26 0.05 -0.20 0.00 0.63 0.00 0.00 28.75 30.48 1k42 h GLU 95 CO 0.57 0.02 -0.73 -1.14 -0.73 0.00 0.00 179.01 177.00 1k42 s GLN 96 N -5.30 2.60 0.63 1.92 0.74 -1.26 -4.80 119.66 114.19 1k42 s GLN 96 Ca -0.15 -0.65 -0.19 0.00 0.05 0.00 0.00 55.36 54.43 1k42 s GLN 96 Cb 0.04 -2.48 -0.02 0.00 1.10 0.00 0.00 33.01 31.64 1k42 s GLN 96 CO 0.63 0.64 1.29 -0.51 -0.55 0.00 0.00 175.29 176.79 1k42 s ASP 97 N -0.91 4.73 0.00 6.67 1.11 -1.26 -4.23 116.67 122.78 1k42 s ASP 97 Ca 0.13 2.62 0.00 0.00 0.18 0.00 0.00 52.55 55.48 1k42 s ASP 97 Cb -0.11 -2.62 0.00 0.00 1.07 0.00 0.00 42.92 41.26 1k42 s ASP 97 CO 0.02 -1.92 0.00 0.61 1.18 0.00 0.00 175.17 175.06 1k42 n GLY 98 N 0.84 1.62 3.48 0.21 0.00 -1.13 -4.97 105.19 105.23 1k42 n GLY 98 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1k42 n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1k42 s ALA 99 N -2.00 2.67 0.12 4.61 0.00 -1.18 -4.44 121.76 121.53 1k42 s ALA 99 Ca 0.00 -0.98 0.10 0.00 0.00 0.00 0.00 51.96 51.09 1k42 s ALA 99 Cb 0.00 -0.98 -0.04 0.00 0.00 0.00 0.00 23.12 22.11 1k42 s ALA 99 CO 0.00 0.55 -0.26 0.08 0.00 0.00 0.00 175.76 176.13 1k42 s VAL 100 N -0.71 2.18 0.17 0.00 1.01 -1.03 0.45 120.40 122.47 1k42 s VAL 100 Ca 0.11 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.33 1k42 s VAL 100 Cb -0.11 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1k42 s VAL 100 CO 0.01 0.10 0.23 -0.69 0.00 0.00 0.00 175.10 174.74 1k42 s VAL 101 N -1.05 0.05 -0.12 2.92 1.01 -1.16 -4.50 120.40 117.56 1k42 s VAL 101 Ca 0.13 -1.63 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1k42 s VAL 101 Cb -0.10 -2.06 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1k42 s VAL 101 CO 0.05 -0.24 -0.15 -0.44 0.00 0.00 0.00 175.10 174.32 1k42 s SER 102 N -3.03 2.57 -0.30 3.32 0.01 -0.98 -2.71 113.70 112.58 1k42 s SER 102 Ca 0.23 -0.46 0.03 0.00 1.31 0.00 0.00 55.95 57.06 1k42 s SER 102 Cb 0.04 -1.14 0.08 0.00 0.21 0.00 0.00 66.02 65.22 1k42 s SER 102 CO 0.04 -0.01 -0.00 -0.36 0.41 0.00 0.00 173.24 173.32 1k42 s PHE 103 N 1.15 3.25 0.45 2.43 0.40 -1.18 -1.62 117.98 122.87 1k42 s PHE 103 Ca -0.03 -2.54 0.04 0.00 -0.60 0.00 0.00 56.93 53.80 1k42 s PHE 103 Cb -0.14 -2.37 -0.04 0.00 0.51 0.00 0.00 43.02 40.97 1k42 s PHE 103 CO -0.05 -0.90 0.02 0.95 0.70 0.00 0.00 175.22 175.94 1k42 s THR 104 N 1.09 1.46 0.10 0.64 -4.23 -0.74 -2.07 115.64 111.89 1k42 s THR 104 Ca 0.04 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.59 1k42 s THR 104 Cb -0.19 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1k42 s THR 104 CO -0.09 0.00 -0.12 0.68 -0.54 0.00 0.00 174.62 174.56 1k42 s VAL 105 N -2.87 1.06 -0.19 2.29 -7.23 -1.09 -1.63 120.40 110.74 1k42 s VAL 105 Ca 0.21 -1.58 -0.34 0.00 -1.81 0.00 0.00 61.98 58.46 1k42 s VAL 105 Cb 0.06 -1.33 0.14 0.00 0.56 0.00 0.00 36.38 35.81 1k42 s VAL 105 CO 0.11 -0.45 1.20 -0.83 -0.31 0.00 0.00 175.10 174.81 1k42 s GLY 106 N -2.29 -0.25 0.00 2.32 0.00 -0.96 -2.56 107.32 103.58 1k42 s GLY 106 Ca 0.04 1.76 0.00 0.00 0.00 0.00 0.00 44.72 46.52 1k42 s GLY 106 CO 0.01 0.63 0.00 1.16 0.00 0.00 0.00 173.10 174.90 1k42 n ASN 107 N 0.04 0.00 -0.08 1.64 0.23 -0.95 -1.72 115.26 114.42 1k42 n ASN 107 Ca -0.01 -0.93 0.00 0.00 -0.53 0.00 0.00 54.58 53.11 1k42 n ASN 107 Cb 0.58 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.28 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 -0.93 0.66 -0.28 -3.83 3.00 -1.26 -2.56 117.38 112.18 1k42 n GLN 108 Ca 0.00 0.00 0.07 0.00 -0.01 0.00 0.00 57.00 57.06 1k42 n GLN 108 Cb 0.00 -1.05 0.19 0.00 0.00 0.00 0.00 30.24 29.38 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 -0.39 3.29 0.00 1.08 7.64 -1.26 -4.92 113.62 119.06 1k42 n SER 109 Ca 0.00 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.48 1k42 n SER 109 Cb 0.03 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.88 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 0.10 0.00 -1.75 1.43 3.72 -1.06 -4.98 117.46 114.92 1k42 n PHE 110 Ca 0.15 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.25 1k42 n PHE 110 Cb 0.61 -0.72 0.05 0.00 -0.94 0.00 0.00 39.48 38.47 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 -0.60 2.93 0.01 -1.08 0.74 -1.26 -4.87 119.66 115.53 1k42 s GLN 111 Ca 0.00 0.68 0.01 0.00 0.05 0.00 0.00 55.36 56.10 1k42 s GLN 111 Cb 0.00 -2.01 -0.01 0.00 1.10 0.00 0.00 33.01 32.09 1k42 s GLN 111 CO 0.00 -1.03 -0.03 -2.00 -0.55 0.00 0.00 175.29 171.67 1k42 s GLU 112 N -5.21 0.26 0.00 1.67 2.12 -1.26 -2.23 118.70 114.06 1k42 s GLU 112 Ca 0.58 -0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.62 1k42 s GLU 112 Cb -0.12 -0.14 0.00 0.00 0.26 0.00 0.00 34.13 34.12 1k42 s GLU 112 CO 0.54 0.03 0.00 0.66 -0.54 0.00 0.00 175.26 175.95 1k42 n TYR 113 N 2.51 0.00 -2.94 5.30 4.01 -1.06 -4.92 117.16 120.06 1k42 n TYR 113 Ca -0.16 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.39 1k42 n TYR 113 Cb 0.58 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.65 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 -2.98 1.83 -0.30 2.72 0.00 -1.26 -4.98 107.32 102.35 1k42 s GLY 114 Ca 0.00 -1.84 -0.16 0.00 0.00 0.00 0.00 44.72 42.72 1k42 s GLY 114 CO 0.00 -1.49 1.16 1.09 0.00 0.00 0.00 173.10 173.86 1k42 s ARG 115 N -4.60 0.17 -0.43 2.90 1.70 -1.26 -2.66 118.95 114.76 1k42 s ARG 115 Ca 0.59 0.29 0.07 0.00 -0.47 0.00 0.00 55.73 56.21 1k42 s ARG 115 Cb -0.08 0.04 0.23 0.00 -0.57 0.00 0.00 34.95 34.58 1k42 s ARG 115 CO 0.37 -0.04 0.61 1.47 -1.08 0.00 0.00 175.30 176.63 1k42 n LEU 116 N 3.39 -1.04 -4.89 -1.89 -0.00 -0.88 -5.00 117.00 106.70 1k42 n LEU 116 Ca -0.17 -4.13 -0.31 0.00 -0.00 0.00 0.00 56.01 51.39 1k42 n LEU 116 Cb 0.57 0.69 -0.05 0.00 -0.00 0.00 0.00 43.42 44.63 1k42 n LEU 116 CO 0.04 2.01 0.13 -1.38 -0.00 0.00 0.00 177.39 178.19 1k42 s HIS 117 N -0.33 3.45 0.00 1.47 -3.43 -1.26 -3.09 115.29 112.10 1k42 s HIS 117 Ca 0.34 0.68 0.00 0.00 -0.80 0.00 0.00 55.06 55.28 1k42 s HIS 117 Cb 0.15 -2.11 0.00 0.00 -1.43 0.00 0.00 32.58 29.19 1k42 s HIS 117 CO -0.16 0.33 0.00 -1.91 -2.00 0.00 0.00 174.74 171.01 1k42 n GLU 118 N -0.17 0.00 -4.09 -0.38 2.13 -1.10 -4.98 120.64 112.05 1k42 n GLU 118 Ca -0.01 0.00 -0.35 0.00 0.66 0.00 0.00 57.16 57.46 1k42 n GLU 118 Cb 0.52 -2.50 -0.12 0.00 0.27 0.00 0.00 31.44 29.61 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 -4.24 3.66 0.66 5.31 -1.52 -1.15 -4.95 119.66 117.43 1k42 s GLN 119 Ca 0.00 -0.50 -0.16 0.00 -1.95 0.00 0.00 55.36 52.75 1k42 s GLN 119 Cb 0.00 -3.09 0.00 0.00 -0.22 0.00 0.00 33.01 29.70 1k42 s GLN 119 CO 0.00 0.05 1.15 -0.65 -0.25 0.00 0.00 175.29 175.59 1k42 s GLN 120 N 0.91 2.67 -0.02 2.91 -0.21 -1.26 -2.98 119.66 121.67 1k42 s GLN 120 Ca 0.01 1.58 0.01 0.00 0.02 0.00 0.00 55.36 56.99 1k42 s GLN 120 Cb -0.14 -1.92 0.01 0.00 1.00 0.00 0.00 33.01 31.96 1k42 s GLN 120 CO 0.02 -1.38 -0.04 0.42 -2.12 0.00 0.00 175.29 172.18 1k42 s ILE 121 N -2.08 0.45 0.82 1.08 -1.09 0.17 -4.94 121.20 115.62 1k42 s ILE 121 Ca 0.71 -0.15 -0.08 0.00 -2.23 0.00 0.00 60.65 58.90 1k42 s ILE 121 Cb -0.25 -0.44 0.18 0.00 -1.58 0.00 0.00 42.46 40.37 1k42 s ILE 121 CO 0.40 0.17 1.12 0.35 -1.23 0.00 0.00 174.94 175.75 1k42 n THR 122 N 3.54 0.00 1.36 2.92 -2.24 -1.26 -2.84 114.28 115.76 1k42 n THR 122 Ca -0.20 -1.22 0.13 0.00 -2.27 0.00 0.00 64.05 60.49 1k42 n THR 122 Cb 0.54 -1.23 0.70 0.00 -2.10 0.00 0.00 70.33 68.24 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 -3.30 0.12 -3.40 4.28 -2.24 -1.26 -2.77 114.28 105.70 1k42 n THR 123 Ca 0.16 0.03 -0.08 0.00 -2.27 0.00 0.00 64.05 61.89 1k42 n THR 123 Cb 0.56 -0.61 0.01 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 -1.20 1.09 -3.15 -0.78 1.02 -1.26 -4.35 120.64 112.01 1k42 n GLU 124 Ca 0.15 -1.11 -0.41 0.00 -0.02 0.00 0.00 57.16 55.77 1k42 n GLU 124 Cb 0.17 0.05 -0.07 0.00 -0.02 0.00 0.00 31.44 31.57 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 -0.65 3.23 -0.24 -0.32 0.52 -1.25 -3.80 118.94 116.44 1k42 s TRP 125 Ca 0.14 0.58 -0.07 0.00 0.02 0.00 0.00 56.10 56.78 1k42 s TRP 125 Cb -0.01 -2.91 -0.03 0.00 -1.15 0.00 0.00 33.47 29.38 1k42 s TRP 125 CO 0.09 -0.42 0.05 -1.14 0.02 0.00 0.00 176.95 175.55 1k42 s GLN 126 N 2.51 3.64 -0.59 4.98 0.74 -0.58 -4.83 119.66 125.53 1k42 s GLN 126 Ca 0.24 -0.49 -0.28 0.00 0.05 0.00 0.00 55.36 54.88 1k42 s GLN 126 Cb -0.15 -3.25 0.03 0.00 1.10 0.00 0.00 33.01 30.73 1k42 s GLN 126 CO 0.11 -0.13 1.24 -1.25 -0.55 0.00 0.00 175.29 174.70 1k42 s PRO 127 N 1.44 3.45 -0.11 1.67 0.04 -1.26 -2.82 135.00 137.42 1k42 s PRO 127 Ca 0.05 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.33 1k42 s PRO 127 Cb -0.15 -4.05 -0.02 0.00 0.04 0.00 0.00 34.50 30.32 1k42 s PRO 127 CO 0.03 -1.77 -0.11 -0.06 0.04 0.00 0.00 177.00 175.13 1k42 s PHE 128 N 5.21 2.83 0.34 0.56 0.08 -0.52 -4.91 117.98 121.57 1k42 s PHE 128 Ca 0.44 -0.40 -0.07 0.00 0.12 0.00 0.00 56.93 57.01 1k42 s PHE 128 Cb -0.08 -1.80 0.01 0.00 -0.57 0.00 0.00 43.02 40.59 1k42 s PHE 128 CO 0.24 -0.03 0.55 -0.08 -0.10 0.00 0.00 175.22 175.80 1k42 s THR 129 N -0.03 0.00 0.00 0.64 -1.32 -1.26 -0.96 115.64 112.71 1k42 s THR 129 Ca -0.02 -1.42 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 1k42 s THR 129 Cb -0.14 -2.62 0.00 0.00 -1.51 0.00 0.00 72.50 68.23 1k42 s THR 129 CO 0.04 0.00 0.00 2.22 -2.21 0.00 0.00 174.62 174.67 1k42 n PHE 130 N -0.53 -0.90 -3.99 9.09 -1.74 -0.98 -4.98 117.46 113.44 1k42 n PHE 130 Ca -0.02 0.00 -0.12 0.00 -0.56 0.00 0.00 57.45 56.75 1k42 n PHE 130 Cb 0.61 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.48 1k42 n PHE 130 CO 0.00 0.00 0.00 -1.21 -0.56 0.00 0.00 176.76 174.99 1k42 s GLU 131 N -1.90 0.25 -0.14 3.97 2.02 -1.26 -2.62 118.70 119.01 1k42 s GLU 131 Ca 0.00 -0.31 -0.29 0.00 0.02 0.00 0.00 54.97 54.39 1k42 s GLU 131 Cb 0.00 -0.10 0.09 0.00 0.10 0.00 0.00 34.13 34.23 1k42 s GLU 131 CO 0.00 0.02 0.82 -0.06 0.02 0.00 0.00 175.26 176.06 1k42 s PHE 132 N -0.61 -0.57 0.08 1.61 0.08 -0.98 -4.88 117.98 112.72 1k42 s PHE 132 Ca -0.05 1.08 0.08 0.00 0.12 0.00 0.00 56.93 58.16 1k42 s PHE 132 Cb -0.05 0.40 -0.04 0.00 -0.57 0.00 0.00 43.02 42.77 1k42 s PHE 132 CO -0.00 -0.45 -0.18 -0.08 -0.10 0.00 0.00 175.22 174.40 1k42 s THR 133 N -0.80 2.82 -0.49 0.64 -1.32 -1.26 -1.75 115.64 113.47 1k42 s THR 133 Ca -0.05 -1.37 -0.44 0.00 -1.21 0.00 0.00 61.69 58.62 1k42 s THR 133 Cb -0.01 -2.25 -0.19 0.00 -1.51 0.00 0.00 72.50 68.54 1k42 s THR 133 CO 0.04 0.20 2.12 0.52 -2.21 0.00 0.00 174.62 175.29 1k42 n VAL 134 N 1.12 0.01 0.18 5.08 0.31 -1.26 -4.79 118.33 118.98 1k42 n VAL 134 Ca -0.16 -0.01 -0.14 0.00 -0.01 0.00 0.00 64.34 64.02 1k42 n VAL 134 Cb 0.52 -0.55 -0.08 0.00 -0.91 0.00 0.00 33.84 32.82 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 8.98 -0.35 0.00 4.52 0.87 -1.96 -3.43 113.55 122.18 1k42 h SER 135 Ca -0.12 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 1k42 h SER 135 Cb 1.41 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.46 1k42 h SER 135 CO 1.08 -0.17 0.00 0.47 -0.53 0.00 0.00 176.83 177.69 1k42 n ASP 136 N -5.23 0.00 -2.69 6.23 8.00 -1.26 -5.03 116.55 116.57 1k42 n ASP 136 Ca -0.10 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.34 1k42 n ASP 136 Cb 0.21 0.00 0.09 0.00 -0.02 0.00 0.00 41.12 41.41 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 0.99 -2.96 -1.24 0.00 -1.26 -4.90 117.38 108.01 1k42 n GLN 137 Ca 0.00 -1.61 -0.43 0.00 0.00 0.00 0.00 57.00 54.97 1k42 n GLN 137 Cb 0.00 -0.10 -0.05 0.00 0.00 0.00 0.00 30.24 30.09 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 0.17 3.57 0.22 2.61 0.41 -1.26 -4.87 118.70 119.55 1k42 s GLU 138 Ca 0.19 0.09 0.26 0.00 -0.41 0.00 0.00 54.97 55.10 1k42 s GLU 138 Cb 0.33 -3.88 0.81 0.00 -1.78 0.00 0.00 34.13 29.61 1k42 s GLU 138 CO -0.08 -0.99 1.77 0.25 -0.49 0.00 0.00 175.26 175.72 1k42 n THR 139 N 5.98 0.63 -4.13 3.63 -2.24 -1.26 -4.59 114.28 112.30 1k42 n THR 139 Ca 0.03 -0.27 -0.20 0.00 -2.27 0.00 0.00 64.05 61.34 1k42 n THR 139 Cb 0.48 -0.62 -0.16 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.12 0.54 0.23 2.28 1.01 -1.26 -1.78 120.40 118.31 1k42 s VAL 140 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.98 1k42 s VAL 140 Cb 0.12 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 1k42 s VAL 140 CO 0.59 0.23 0.16 0.27 0.00 0.00 0.00 175.10 176.34 1k42 s ILE 141 N 1.01 0.04 -0.04 2.22 -4.36 -1.12 -4.58 121.20 114.38 1k42 s ILE 141 Ca -0.10 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.28 1k42 s ILE 141 Cb -0.14 -2.51 0.03 0.00 1.25 0.00 0.00 42.46 41.09 1k42 s ILE 141 CO -0.00 0.00 0.08 0.00 0.24 0.00 0.00 174.94 175.26 1k42 s ARG 142 N -4.01 0.04 -0.44 0.37 1.70 -0.70 -1.77 118.95 114.13 1k42 s ARG 142 Ca 0.39 0.23 -0.20 0.00 -0.47 0.00 0.00 55.73 55.68 1k42 s ARG 142 Cb 0.06 -0.14 0.03 0.00 -0.57 0.00 0.00 34.95 34.32 1k42 s ARG 142 CO 0.15 -0.12 0.59 0.00 -1.08 0.00 0.00 175.30 174.84 1k42 s ALA 143 N 0.82 3.37 -0.43 7.88 0.00 -1.05 -2.26 121.76 130.09 1k42 s ALA 143 Ca -0.07 -1.36 -0.29 0.00 0.00 0.00 0.00 51.96 50.25 1k42 s ALA 143 Cb -0.09 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.80 1k42 s ALA 143 CO -0.03 -1.77 1.33 -1.25 0.00 0.00 0.00 175.76 174.04 1k42 s PRO 144 N 2.62 3.62 -0.30 0.00 0.04 -0.65 -2.20 135.00 138.14 1k42 s PRO 144 Ca 0.19 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.06 1k42 s PRO 144 Cb -0.15 -3.99 0.06 0.00 0.04 0.00 0.00 34.50 30.46 1k42 s PRO 144 CO 0.17 -1.51 -0.01 0.42 0.04 0.00 0.00 177.00 176.11 1k42 s ILE 145 N 5.14 2.70 0.25 0.56 1.01 0.87 -1.79 121.20 129.94 1k42 s ILE 145 Ca 0.57 -1.61 0.09 0.00 0.00 0.00 0.00 60.65 59.71 1k42 s ILE 145 Cb -0.12 -2.63 -0.05 0.00 0.01 0.00 0.00 42.46 39.67 1k42 s ILE 145 CO 0.32 -0.18 -0.15 -1.38 0.00 0.00 0.00 174.94 173.55 1k42 s HIS 146 N 1.16 1.98 0.00 3.97 -3.43 -0.64 0.14 115.29 118.48 1k42 s HIS 146 Ca -0.04 -0.49 0.00 0.00 -0.80 0.00 0.00 55.06 53.73 1k42 s HIS 146 Cb -0.20 -0.93 0.00 0.00 -1.43 0.00 0.00 32.58 30.02 1k42 s HIS 146 CO -0.03 0.49 0.00 1.19 -2.00 0.00 0.00 174.74 174.39 1k42 n PHE 147 N -0.51 -0.81 0.00 0.38 3.01 0.17 -2.32 117.46 117.37 1k42 n PHE 147 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.40 1k42 n PHE 147 Cb 0.61 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.08 1k42 n PHE 147 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1k42 n GLY 148 N 5.00 1.11 3.41 1.37 0.00 -1.26 -2.60 105.19 112.21 1k42 n GLY 148 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.30 2.17 0.34 1.61 2.02 -1.26 -4.51 117.35 116.42 1k42 s TYR 149 Ca 0.00 -0.38 0.22 0.00 -0.37 0.00 0.00 57.07 56.53 1k42 s TYR 149 Cb 0.00 -1.06 1.11 0.00 -0.40 0.00 0.00 41.96 41.61 1k42 s TYR 149 CO 0.00 0.48 1.94 0.00 -1.57 0.00 0.00 175.55 176.41 1k42 h ALA 150 N 3.09 1.26 0.00 3.71 0.00 -1.97 -1.42 119.26 123.92 1k42 h ALA 150 Ca -0.44 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1k42 h ALA 150 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1k42 h ALA 150 CO 0.50 0.28 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1k42 n ALA 151 N -2.33 1.82 -0.48 0.00 0.00 -1.26 -1.62 120.51 116.63 1k42 n ALA 151 Ca -0.01 -0.07 0.06 0.00 0.00 0.00 0.00 53.44 53.41 1k42 n ALA 151 Cb 0.33 -1.26 0.13 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.38 2.77 -4.91 0.00 5.15 -0.54 -2.46 115.26 113.89 1k42 n ASN 152 Ca 0.06 -2.44 -0.27 0.00 -0.60 0.00 0.00 54.58 51.33 1k42 n ASN 152 Cb 0.15 -0.28 -0.01 0.00 -0.53 0.00 0.00 39.78 39.12 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 -1.77 4.96 -1.44 3.44 1.01 -0.64 -4.12 120.40 121.83 1k42 s VAL 153 Ca 0.23 0.04 -0.11 0.00 0.00 0.00 0.00 61.98 62.14 1k42 s VAL 153 Cb 0.17 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.76 1k42 s VAL 153 CO 0.07 -0.73 0.71 0.61 0.00 0.00 0.00 175.10 175.76 1k42 n GLY 154 N -2.03 -0.50 3.63 4.51 0.00 -0.85 -4.93 105.19 105.02 1k42 n GLY 154 Ca -0.01 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 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 -2.95 -0.81 -0.20 1.61 -0.87 -1.04 -4.94 114.94 105.73 1k42 s ASN 155 Ca 0.50 1.45 -0.23 0.00 -1.57 0.00 0.00 52.86 53.01 1k42 s ASN 155 Cb -0.25 1.42 -0.01 0.00 -0.02 0.00 0.00 41.25 42.39 1k42 s ASN 155 CO 0.62 -0.24 0.76 -0.89 -2.57 0.00 0.00 177.10 174.77 1k42 s THR 156 N 0.84 4.91 -0.29 1.60 2.01 -1.26 -2.74 115.64 120.72 1k42 s THR 156 Ca -0.04 1.45 -0.10 0.00 0.31 0.00 0.00 61.69 63.32 1k42 s THR 156 Cb -0.05 -4.06 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 1k42 s THR 156 CO -0.07 0.02 0.16 -0.63 -0.69 0.00 0.00 174.62 173.41 1k42 s ILE 157 N 2.31 4.83 0.03 1.82 1.09 0.11 -1.39 121.20 130.00 1k42 s ILE 157 Ca 0.34 -0.16 -0.08 0.00 -1.10 0.00 0.00 60.65 59.65 1k42 s ILE 157 Cb -0.16 -3.37 -0.05 0.00 -1.06 0.00 0.00 42.46 37.82 1k42 s ILE 157 CO 0.10 0.18 0.30 -0.31 -0.10 0.00 0.00 174.94 175.11 1k42 s TYR 158 N 1.67 3.58 -0.01 3.97 1.51 -0.19 -1.23 117.35 126.65 1k42 s TYR 158 Ca 0.06 0.64 -0.01 0.00 -1.01 0.00 0.00 57.07 56.74 1k42 s TYR 158 Cb -0.16 -2.04 0.00 0.00 -0.11 0.00 0.00 41.96 39.65 1k42 s TYR 158 CO 0.08 0.59 0.04 0.42 -1.11 0.00 0.00 175.55 175.56 1k42 s ILE 159 N -1.32 -0.00 -0.29 2.71 1.01 -0.95 -1.87 121.20 120.49 1k42 s ILE 159 Ca 0.29 0.00 -0.21 0.00 0.00 0.00 0.00 60.65 60.73 1k42 s ILE 159 Cb -0.13 -0.06 0.17 0.00 0.01 0.00 0.00 42.46 42.44 1k42 s ILE 159 CO 0.16 0.00 1.21 -0.62 0.00 0.00 0.00 174.94 175.69 1k42 s ASP 160 N 0.04 -0.24 0.00 3.58 -1.08 -0.64 -1.76 116.67 116.57 1k42 s ASP 160 Ca -0.00 0.43 0.00 0.00 -0.52 0.00 0.00 52.55 52.46 1k42 s ASP 160 Cb -0.00 0.73 0.00 0.00 -1.46 0.00 0.00 42.92 42.19 1k42 s ASP 160 CO -0.00 -0.07 0.00 0.61 0.52 0.00 0.00 175.17 176.23 1k42 n GLY 161 N 2.53 0.76 3.55 2.66 0.00 -1.24 -1.34 105.19 112.11 1k42 n GLY 161 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 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 2.18 -4.31 0.99 7.94 -1.20 -3.65 117.00 118.94 1k42 n LEU 162 Ca 0.00 -0.73 -0.28 0.00 -1.11 0.00 0.00 56.01 53.89 1k42 n LEU 162 Cb 0.00 -1.60 -0.14 0.00 0.53 0.00 0.00 43.42 42.21 1k42 n LEU 162 CO 0.00 -1.81 -0.55 0.00 -1.11 0.00 0.00 177.39 173.92 1k42 s ALA 163 N 12.81 2.07 -0.25 1.96 0.00 -0.48 -3.79 121.76 134.08 1k42 s ALA 163 Ca 0.97 -1.22 0.01 0.00 0.00 0.00 0.00 51.96 51.72 1k42 s ALA 163 Cb -0.17 -0.40 0.06 0.00 0.00 0.00 0.00 23.12 22.61 1k42 s ALA 163 CO 0.22 0.47 -0.04 0.42 0.00 0.00 0.00 175.76 176.84 1k42 s ILE 164 N -0.86 1.54 -0.03 0.00 1.01 -1.26 -2.52 121.20 119.10 1k42 s ILE 164 Ca 0.10 -1.30 -0.19 0.00 0.00 0.00 0.00 60.65 59.26 1k42 s ILE 164 Cb -0.10 -1.84 0.04 0.00 0.01 0.00 0.00 42.46 40.57 1k42 s ILE 164 CO 0.03 -0.16 0.41 0.00 0.00 0.00 0.00 174.94 175.21 1k42 s ALA 165 N 1.38 -1.05 0.46 9.38 0.00 -0.87 -1.57 121.76 129.49 1k42 s ALA 165 Ca -0.04 0.60 -0.05 0.00 0.00 0.00 0.00 51.96 52.47 1k42 s ALA 165 Cb -0.19 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.94 1k42 s ALA 165 CO -0.07 -0.29 0.77 -1.12 0.00 0.00 0.00 175.76 175.05 1k42 s SER 166 N -1.27 6.29 0.72 0.00 0.01 -1.26 -1.20 113.70 116.99 1k42 s SER 166 Ca -0.13 0.91 -0.11 0.00 1.31 0.00 0.00 55.95 57.93 1k42 s SER 166 Cb -0.04 -2.24 0.03 0.00 0.21 0.00 0.00 66.02 63.98 1k42 s SER 166 CO 0.06 -0.54 1.08 0.00 0.41 0.00 0.00 173.24 174.25 1k42 s GLN 167 N -4.63 2.58 0.00 12.44 -2.07 -1.26 -4.94 119.66 121.78 1k42 s GLN 167 Ca 0.47 1.14 0.29 0.00 -1.82 0.00 0.00 55.36 55.44 1k42 s GLN 167 Cb -0.10 -1.94 1.72 0.00 -1.09 0.00 0.00 33.01 31.60 1k42 s GLN 167 CO 0.43 -1.39 2.06 -0.35 -1.32 0.00 0.00 175.29 174.72