#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a2k n PRO 5 N 0.00 -0.79 -0.32 1.97 -0.02 -1.26 -4.78 135.00 129.80 1a2k n PRO 5 Ca 0.00 -0.18 -0.04 0.00 -2.02 0.00 0.00 63.50 61.26 1a2k n PRO 5 Cb 0.00 -2.24 0.08 0.00 -0.02 0.00 0.00 33.50 31.32 1a2k n PRO 5 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 1a2k h ILE 6 N -1.98 1.24 -0.74 4.25 6.09 -2.05 -2.18 117.51 122.14 1a2k h ILE 6 Ca -0.46 -0.56 -0.05 0.00 -1.37 0.00 0.00 64.86 62.42 1a2k h ILE 6 Cb 1.28 0.06 -0.03 0.00 0.47 0.00 0.00 36.82 38.60 1a2k h ILE 6 CO 0.41 0.26 0.27 4.11 -3.07 0.00 0.00 178.15 180.13 1a2k h TRP 7 N 1.18 1.15 0.00 2.19 0.09 -1.97 -2.09 115.95 116.50 1a2k h TRP 7 Ca 0.30 -0.10 -0.10 0.00 0.09 0.00 0.00 58.89 59.09 1a2k h TRP 7 Cb -0.02 -0.34 -0.01 0.00 0.08 0.00 0.00 29.16 28.87 1a2k h TRP 7 CO 0.00 0.89 -0.47 1.49 0.09 0.00 0.00 178.44 180.44 1a2k h GLU 8 N 1.07 0.00 -0.27 0.12 4.81 -1.84 0.55 114.58 119.02 1a2k h GLU 8 Ca 0.24 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1a2k h GLU 8 Cb 0.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.62 1a2k h GLU 8 CO -0.02 0.47 0.02 1.96 -0.73 0.00 0.00 179.01 180.72 1a2k h GLN 9 N 0.00 0.46 -0.06 1.92 4.20 -1.20 -2.35 115.11 118.09 1a2k h GLN 9 Ca -0.00 -0.13 -0.16 0.00 0.06 0.00 0.00 58.65 58.41 1a2k h GLN 9 Cb 0.88 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.62 1a2k h GLN 9 CO 0.06 0.60 -0.59 0.82 -0.67 0.00 0.00 178.83 179.05 1a2k h ILE 10 N 0.26 1.38 0.00 2.54 2.04 -1.06 -2.91 117.51 119.76 1a2k h ILE 10 Ca 0.08 -1.96 -0.00 0.00 1.00 0.00 0.00 64.86 63.98 1a2k h ILE 10 Cb 0.37 2.37 -0.00 0.00 -0.74 0.00 0.00 36.82 38.82 1a2k h ILE 10 CO 0.01 0.58 -0.01 1.23 0.00 0.00 0.00 178.15 179.97 1a2k h GLY 11 N 0.06 -0.97 -0.79 5.37 0.00 -0.99 0.27 103.07 106.02 1a2k h GLY 11 Ca -0.06 0.42 0.15 0.00 0.00 0.00 0.00 47.33 47.84 1a2k h GLY 11 CO 0.12 -0.37 -0.33 1.76 0.00 0.00 0.00 176.54 177.72 1a2k h SER 12 N -0.01 -1.20 -0.18 0.19 0.02 -1.54 0.91 113.55 111.74 1a2k h SER 12 Ca -0.00 0.28 0.05 0.00 -0.84 0.00 0.00 61.79 61.28 1a2k h SER 12 Cb 0.01 0.66 -0.07 0.00 0.14 0.00 0.00 62.40 63.14 1a2k h SER 12 CO -0.00 -0.29 -0.35 0.28 -1.14 0.00 0.00 176.83 175.32 1a2k h SER 13 N -0.04 -1.12 -0.59 3.07 0.02 -1.53 -0.22 113.55 113.14 1a2k h SER 13 Ca 0.34 0.16 0.12 0.00 -0.84 0.00 0.00 61.79 61.57 1a2k h SER 13 Cb 0.60 0.47 -0.09 0.00 0.14 0.00 0.00 62.40 63.52 1a2k h SER 13 CO -0.89 -0.37 0.05 0.15 -1.14 0.00 0.00 176.83 174.62 1a2k h PHE 14 N -0.40 0.05 -0.75 3.45 3.57 0.95 -2.15 116.94 121.65 1a2k h PHE 14 Ca 0.10 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 1a2k h PHE 14 Cb 0.57 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1a2k h PHE 14 CO -0.46 -0.11 0.29 0.82 -2.23 0.00 0.00 178.31 176.62 1a2k h ILE 15 N 0.16 1.26 -0.13 1.41 1.08 -0.40 -0.78 117.51 120.11 1a2k h ILE 15 Ca 0.31 -0.83 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 1a2k h ILE 15 Cb 0.48 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.61 1a2k h ILE 15 CO -0.47 0.33 0.06 -0.61 -0.69 0.00 0.00 178.15 176.78 1a2k h GLN 16 N 1.10 0.19 -0.33 2.37 -0.00 -0.73 -2.53 115.11 115.17 1a2k h GLN 16 Ca 0.25 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.73 1a2k h GLN 16 Cb 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 1a2k h GLN 16 CO -0.02 0.26 -0.35 1.25 0.00 0.00 0.00 178.83 179.98 1a2k h HIS 17 N 0.07 0.89 -0.09 3.99 2.76 -1.34 -2.28 115.15 119.16 1a2k h HIS 17 Ca 0.04 -0.24 -0.04 0.00 -2.20 0.00 0.00 60.37 57.93 1a2k h HIS 17 Cb 0.14 -0.20 -0.00 0.00 1.55 0.00 0.00 27.41 28.90 1a2k h HIS 17 CO -0.02 0.99 -0.10 -0.92 -1.30 0.00 0.00 177.93 176.58 1a2k h TYR 18 N 0.63 0.27 -0.28 5.26 5.03 -1.10 -1.82 116.97 124.96 1a2k h TYR 18 Ca 0.06 -0.08 -0.14 0.00 2.58 0.00 0.00 58.73 61.15 1a2k h TYR 18 Cb 0.88 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.10 1a2k h TYR 18 CO 0.05 0.67 -0.38 1.88 -1.32 0.00 0.00 178.16 179.05 1a2k h TYR 19 N -0.21 0.77 -0.26 -3.82 0.05 -1.51 0.16 116.97 112.15 1a2k h TYR 19 Ca 0.01 -0.22 -0.03 0.00 0.05 0.00 0.00 58.73 58.54 1a2k h TYR 19 Cb 0.63 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 38.19 1a2k h TYR 19 CO 0.09 0.94 0.04 0.37 -1.05 0.00 0.00 178.16 178.55 1a2k h GLN 20 N 0.54 0.43 0.28 4.88 4.15 -1.49 -0.43 115.11 123.47 1a2k h GLN 20 Ca 0.05 -0.11 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1a2k h GLN 20 Cb 0.90 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.54 1a2k h GLN 20 CO 0.08 0.55 -0.14 1.25 -1.93 0.00 0.00 178.83 178.64 1a2k h LEU 21 N 0.24 -0.32 -0.47 -2.39 5.85 -1.28 -0.84 115.31 116.11 1a2k h LEU 21 Ca 0.08 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.83 1a2k h LEU 21 Cb 0.33 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.34 1a2k h LEU 21 CO 0.00 -0.16 -0.43 0.15 -0.34 0.00 0.00 178.44 177.67 1a2k h PHE 22 N -0.46 -1.24 -0.69 1.25 3.04 -0.66 0.34 116.94 118.52 1a2k h PHE 22 Ca -0.04 0.07 -0.08 0.00 3.98 0.00 0.00 57.97 61.91 1a2k h PHE 22 Cb 0.34 0.61 -0.03 0.00 2.56 0.00 0.00 35.95 39.44 1a2k h PHE 22 CO -0.04 -0.43 0.13 -0.44 -2.02 0.00 0.00 178.31 175.51 1a2k h ASP 23 N -0.29 1.07 0.23 0.41 3.32 -1.05 -3.14 116.42 116.98 1a2k h ASP 23 Ca 0.15 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1a2k h ASP 23 Cb 0.57 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1a2k h ASP 23 CO -0.61 1.05 -0.11 0.78 -1.72 0.00 0.00 179.24 178.62 1a2k h ASN 24 N 1.06 -0.26 -0.86 6.45 2.35 0.10 -3.43 115.58 120.99 1a2k h ASN 24 Ca 0.21 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1a2k h ASN 24 Cb 0.42 0.07 -0.20 0.00 0.05 0.00 0.00 38.32 38.66 1a2k h ASN 24 CO 0.01 0.25 -0.35 -0.62 -1.65 0.00 0.00 177.43 175.07 1a2k s ASP 25 N -5.31 -1.37 0.00 5.81 2.15 0.11 -5.05 116.67 113.00 1a2k s ASP 25 Ca -0.12 -0.21 0.15 0.00 0.43 0.00 0.00 52.55 52.80 1a2k s ASP 25 Cb 0.01 1.81 0.82 0.00 -0.30 0.00 0.00 42.92 45.26 1a2k s ASP 25 CO 0.42 -0.21 1.33 -2.11 -0.17 0.00 0.00 175.17 174.43 1a2k n ARG 26 N 4.89 0.37 0.00 4.34 1.85 -1.18 -2.69 116.66 124.23 1a2k n ARG 26 Ca 0.08 0.06 0.14 0.00 -1.00 0.00 0.00 57.85 57.13 1a2k n ARG 26 Cb 0.56 -1.50 0.68 0.00 -1.05 0.00 0.00 32.46 31.15 1a2k n ARG 26 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1a2k n THR 27 N -1.10 0.01 -0.56 8.89 -2.24 -1.26 -3.37 114.28 114.65 1a2k n THR 27 Ca 0.09 0.00 0.09 0.00 -2.27 0.00 0.00 64.05 61.97 1a2k n THR 27 Cb 0.07 -0.51 0.32 0.00 -2.10 0.00 0.00 70.33 68.11 1a2k n THR 27 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1a2k n GLN 28 N -1.40 3.40 -0.13 -0.78 6.02 -1.10 -4.58 117.38 118.80 1a2k n GLN 28 Ca 0.10 -2.74 0.10 0.00 -0.01 0.00 0.00 57.00 54.46 1a2k n GLN 28 Cb 0.29 -1.75 0.30 0.00 1.02 0.00 0.00 30.24 30.10 1a2k n GLN 28 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 1a2k n LEU 29 N 0.98 2.32 0.15 1.08 7.94 -1.22 -4.38 117.00 123.88 1a2k n LEU 29 Ca 0.23 -1.01 0.01 0.00 -1.11 0.00 0.00 56.01 54.14 1a2k n LEU 29 Cb 0.79 -0.18 0.18 0.00 0.53 0.00 0.00 43.42 44.74 1a2k n LEU 29 CO 0.20 0.50 0.52 1.23 -1.11 0.00 0.00 177.39 178.73 1a2k h GLY 30 N 4.87 0.00 2.00 -3.96 0.00 -1.86 -3.26 103.07 100.86 1a2k h GLY 30 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1a2k h GLY 30 CO 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 176.54 176.51 1a2k h ALA 31 N 1.45 1.07 0.00 3.60 0.00 -1.97 -1.87 119.26 121.55 1a2k h ALA 31 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1a2k h ALA 31 Cb 1.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1a2k h ALA 31 CO 0.07 0.03 -0.37 0.44 0.00 0.00 0.00 179.25 179.42 1a2k n ILE 32 N -3.22 0.19 -4.42 0.00 -5.35 -1.23 -4.93 119.36 100.40 1a2k n ILE 32 Ca -0.01 -0.12 -0.26 0.00 -0.27 0.00 0.00 62.75 62.08 1a2k n ILE 32 Cb 0.19 -0.14 -0.09 0.00 -1.74 0.00 0.00 39.64 37.86 1a2k n ILE 32 CO 0.00 0.00 0.00 -0.31 -1.76 0.00 0.00 176.55 174.48 1a2k s TYR 33 N -3.07 2.52 0.00 4.28 2.02 -0.70 -0.23 117.35 122.17 1a2k s TYR 33 Ca 0.10 -0.54 0.00 0.00 -0.37 0.00 0.00 57.07 56.26 1a2k s TYR 33 Cb 0.16 -1.62 0.00 0.00 -0.40 0.00 0.00 41.96 40.10 1a2k s TYR 33 CO 0.66 0.45 0.00 0.44 -1.57 0.00 0.00 175.55 175.52 1a2k n ILE 34 N -0.97 0.00 0.74 2.71 -5.35 -1.26 -4.85 119.36 110.37 1a2k n ILE 34 Ca -0.04 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.56 1a2k n ILE 34 Cb 0.64 0.00 0.49 0.00 -1.74 0.00 0.00 39.64 39.03 1a2k n ILE 34 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1a2k n ASP 35 N -1.41 0.35 0.00 7.28 8.00 -1.26 -1.86 116.55 127.64 1a2k n ASP 35 Ca 0.00 0.54 0.10 0.00 0.71 0.00 0.00 54.79 56.15 1a2k n ASP 35 Cb 0.00 -0.63 -0.08 0.00 -0.02 0.00 0.00 41.12 40.38 1a2k n ASP 35 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a2k n ALA 36 N -1.63 4.27 -1.68 2.24 0.00 -1.26 -3.85 120.51 118.60 1a2k n ALA 36 Ca 0.05 -0.55 -0.43 0.00 0.00 0.00 0.00 53.44 52.51 1a2k n ALA 36 Cb 0.33 -0.81 -0.02 0.00 0.00 0.00 0.00 19.45 18.96 1a2k n ALA 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1a2k n SER 37 N -1.65 2.72 -4.46 0.00 7.64 -1.09 -4.67 113.62 112.12 1a2k n SER 37 Ca 0.03 1.18 -0.35 0.00 1.01 0.00 0.00 58.87 60.74 1a2k n SER 37 Cb 0.37 -1.46 -0.12 0.00 -1.01 0.00 0.00 64.21 61.99 1a2k n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a2k s LEU 39 N 0.89 2.35 -0.36 0.00 2.96 -0.10 -1.43 118.68 122.99 1a2k s LEU 39 Ca 0.01 -0.44 -0.00 0.00 -0.22 0.00 0.00 54.13 53.48 1a2k s LEU 39 Cb -0.14 -1.48 0.10 0.00 0.50 0.00 0.00 46.19 45.16 1a2k s LEU 39 CO 0.02 0.20 0.11 -0.89 -1.32 0.00 0.00 176.35 174.47 1a2k s THR 40 N 0.10 2.89 -0.48 3.68 2.01 -0.32 0.19 115.64 123.71 1a2k s THR 40 Ca -0.09 -2.02 -0.13 0.00 0.31 0.00 0.00 61.69 59.76 1a2k s THR 40 Cb -0.15 -2.96 0.10 0.00 0.01 0.00 0.00 72.50 69.50 1a2k s THR 40 CO 0.06 -0.54 0.39 0.86 -0.69 0.00 0.00 174.62 174.69 1a2k s TRP 41 N 1.08 3.31 -1.22 4.92 -0.11 0.08 -1.24 118.94 125.77 1a2k s TRP 41 Ca 0.06 -1.38 -0.15 0.00 1.22 0.00 0.00 56.10 55.85 1a2k s TRP 41 Cb -0.21 -3.39 -0.00 0.00 -1.50 0.00 0.00 33.47 28.37 1a2k s TRP 41 CO -0.05 -0.92 0.69 0.39 -4.62 0.00 0.00 176.95 172.45 1a2k n GLU 42 N 5.09 -1.91 0.00 5.86 -0.58 -0.14 -2.21 120.64 126.75 1a2k n GLU 42 Ca -0.11 0.44 0.00 0.00 -0.42 0.00 0.00 57.16 57.07 1a2k n GLU 42 Cb 0.42 -4.22 0.00 0.00 -0.57 0.00 0.00 31.44 27.06 1a2k n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1a2k n GLY 43 N -1.76 1.79 3.76 0.62 0.00 -1.26 -5.02 105.19 103.32 1a2k n GLY 43 Ca -0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1a2k n GLY 43 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a2k s GLN 44 N 0.00 4.38 -0.20 1.61 -0.21 -0.94 -5.03 119.66 119.27 1a2k s GLN 44 Ca 0.00 0.87 -0.06 0.00 0.02 0.00 0.00 55.36 56.19 1a2k s GLN 44 Cb 0.00 -3.33 -0.03 0.00 1.00 0.00 0.00 33.01 30.65 1a2k s GLN 44 CO 0.00 0.39 0.03 -0.65 -2.12 0.00 0.00 175.29 172.94 1a2k s GLN 45 N -0.31 3.76 0.07 2.91 -0.21 -1.26 -0.74 119.66 123.88 1a2k s GLN 45 Ca 0.33 -0.45 0.08 0.00 0.02 0.00 0.00 55.36 55.35 1a2k s GLN 45 Cb -0.19 -3.16 -0.03 0.00 1.00 0.00 0.00 33.01 30.62 1a2k s GLN 45 CO 0.20 0.09 -0.23 -0.06 -2.12 0.00 0.00 175.29 173.17 1a2k s PHE 46 N 0.84 1.97 -0.08 0.91 0.08 0.13 -5.00 117.98 116.83 1a2k s PHE 46 Ca 0.02 -0.39 0.02 0.00 0.12 0.00 0.00 56.93 56.69 1a2k s PHE 46 Cb -0.14 -1.13 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 1a2k s PHE 46 CO 0.02 0.16 -0.11 -1.14 -0.10 0.00 0.00 175.22 174.06 1a2k s GLN 47 N -1.52 1.61 0.00 0.44 0.74 -1.26 -0.92 119.66 118.75 1a2k s GLN 47 Ca 0.09 -0.36 0.00 0.00 0.05 0.00 0.00 55.36 55.14 1a2k s GLN 47 Cb -0.09 -1.41 0.00 0.00 1.10 0.00 0.00 33.01 32.60 1a2k s GLN 47 CO 0.03 -0.05 0.00 0.41 -0.55 0.00 0.00 175.29 175.13 1a2k n GLY 48 N 4.10 -2.09 0.20 2.59 0.00 0.26 -4.29 105.19 105.96 1a2k n GLY 48 Ca -0.21 -1.46 -0.05 0.00 0.00 0.00 0.00 46.02 44.30 1a2k n GLY 48 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1a2k n LYS 49 N -1.42 -0.21 -0.15 1.61 4.81 -0.78 -1.70 118.16 120.32 1a2k n LYS 49 Ca 0.00 1.01 -0.10 0.00 -0.87 0.00 0.00 58.31 58.35 1a2k n LYS 49 Cb 0.00 -1.50 -0.01 0.00 0.02 0.00 0.00 35.03 33.54 1a2k n LYS 49 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1a2k h ALA 50 N -0.04 0.57 -0.57 3.14 0.00 -1.90 -1.92 119.26 118.53 1a2k h ALA 50 Ca 0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 1a2k h ALA 50 Cb 0.20 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1a2k h ALA 50 CO -0.46 0.34 0.17 0.00 0.00 0.00 0.00 179.25 179.30 1a2k h ALA 51 N 0.91 1.21 -0.41 0.00 0.00 -1.67 -1.47 119.26 117.83 1a2k h ALA 51 Ca 0.12 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1a2k h ALA 51 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 1a2k h ALA 51 CO 0.02 0.55 -0.16 0.82 0.00 0.00 0.00 179.25 180.48 1a2k h ILE 52 N 0.84 1.28 -0.18 0.00 2.04 -1.24 -2.43 117.51 117.82 1a2k h ILE 52 Ca 0.19 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1a2k h ILE 52 Cb 0.27 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.58 1a2k h ILE 52 CO -0.01 0.43 0.08 0.58 0.00 0.00 0.00 178.15 179.24 1a2k h VAL 53 N 0.65 1.13 -0.33 1.67 2.07 -0.64 0.55 116.25 121.34 1a2k h VAL 53 Ca 0.10 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.30 1a2k h VAL 53 Cb 0.71 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.46 1a2k h VAL 53 CO 0.05 0.13 -0.38 -0.08 0.02 0.00 0.00 177.57 177.30 1a2k h GLU 54 N 0.16 -0.33 0.01 1.57 4.81 -1.32 0.11 114.58 119.59 1a2k h GLU 54 Ca 0.06 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.34 1a2k h GLU 54 Cb 0.12 0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1a2k h GLU 54 CO -0.01 -0.22 -0.27 -0.22 -0.73 0.00 0.00 179.01 177.57 1a2k h LYS 55 N -0.34 -0.40 -0.34 1.92 1.63 -1.13 -1.87 116.57 116.06 1a2k h LYS 55 Ca 0.13 0.03 -0.06 0.00 -0.85 0.00 0.00 60.65 59.90 1a2k h LYS 55 Cb 0.57 0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 1a2k h LYS 55 CO -0.51 -0.26 -0.05 -0.07 -3.45 0.00 0.00 179.45 175.10 1a2k h LEU 56 N -0.41 0.52 -0.93 5.20 3.38 -0.43 -2.56 115.31 120.08 1a2k h LEU 56 Ca 0.06 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1a2k h LEU 56 Cb 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1a2k h LEU 56 CO -0.23 0.62 -0.25 0.28 0.09 0.00 0.00 178.44 178.95 1a2k h SER 57 N 0.51 0.00 1.27 -0.43 0.02 -0.67 -3.10 113.55 111.15 1a2k h SER 57 Ca 0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 1a2k h SER 57 Cb 0.41 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.95 1a2k h SER 57 CO 0.02 0.25 -0.17 -1.54 -1.14 0.00 0.00 176.83 174.26 1a2k n SER 58 N -3.36 0.73 -4.71 3.07 3.41 -0.71 -4.87 113.62 107.17 1a2k n SER 58 Ca 0.00 0.44 -0.43 0.00 -0.26 0.00 0.00 58.87 58.62 1a2k n SER 58 Cb 0.47 -0.52 -0.03 0.00 -0.26 0.00 0.00 64.21 63.88 1a2k n SER 58 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1a2k n LEU 59 N -2.16 3.80 -3.92 1.04 4.77 -1.16 -4.84 117.00 114.52 1a2k n LEU 59 Ca 0.05 1.10 -0.43 0.00 -0.03 0.00 0.00 56.01 56.70 1a2k n LEU 59 Cb 0.42 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 39.99 1a2k n LEU 59 CO 0.32 0.00 1.68 -0.81 -1.33 0.00 0.00 177.39 177.25 1a2k n PRO 60 N 3.19 3.89 -3.98 3.23 -0.04 -1.26 -4.89 135.00 135.14 1a2k n PRO 60 Ca 0.14 -3.86 -0.10 0.00 -0.04 0.00 0.00 63.50 59.64 1a2k n PRO 60 Cb 0.34 -2.80 -0.12 0.00 -0.04 0.00 0.00 33.50 30.88 1a2k n PRO 60 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1a2k s PHE 61 N -0.60 0.28 -0.06 0.54 -0.12 -1.26 -5.07 117.98 111.69 1a2k s PHE 61 Ca 0.37 -0.42 0.14 0.00 -0.05 0.00 0.00 56.93 56.97 1a2k s PHE 61 Cb 0.08 -0.19 -0.20 0.00 -0.63 0.00 0.00 43.02 42.08 1a2k s PHE 61 CO 0.04 -0.14 0.74 1.96 -0.05 0.00 0.00 175.22 177.77 1a2k h GLN 62 N 4.94 0.00 -2.90 1.99 1.08 -1.98 -3.47 115.11 114.76 1a2k h GLN 62 Ca -0.31 0.00 -0.12 0.00 -1.45 0.00 0.00 58.65 56.77 1a2k h GLN 62 Cb 1.21 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.41 1a2k h GLN 62 CO 0.43 0.45 -0.27 -1.59 -0.95 0.00 0.00 178.83 176.91 1a2k s LYS 63 N -2.69 0.55 -0.03 1.46 -2.85 -1.26 -5.03 119.74 109.89 1a2k s LYS 63 Ca -0.04 0.20 -0.09 0.00 -1.00 0.00 0.00 55.97 55.04 1a2k s LYS 63 Cb 0.08 0.25 0.01 0.00 -2.06 0.00 0.00 37.83 36.12 1a2k s LYS 63 CO 0.82 -0.12 0.21 -1.50 0.10 0.00 0.00 175.35 174.86 1a2k s ILE 64 N -0.49 0.05 -0.02 3.79 2.07 -1.26 0.01 121.20 125.35 1a2k s ILE 64 Ca -0.06 -0.43 0.02 0.00 -1.41 0.00 0.00 60.65 58.77 1a2k s ILE 64 Cb -0.04 -0.44 0.01 0.00 0.13 0.00 0.00 42.46 42.11 1a2k s ILE 64 CO 0.02 -0.23 -0.06 -1.58 -1.91 0.00 0.00 174.94 171.18 1a2k s GLN 65 N -0.91 0.64 0.20 3.50 0.74 -0.75 -4.56 119.66 118.52 1a2k s GLN 65 Ca -0.10 -0.18 0.10 0.00 0.05 0.00 0.00 55.36 55.23 1a2k s GLN 65 Cb -0.05 -0.63 -0.04 0.00 1.10 0.00 0.00 33.01 33.38 1a2k s GLN 65 CO 0.02 0.06 -0.16 -1.01 -0.55 0.00 0.00 175.29 173.64 1a2k s HIS 66 N 0.24 2.46 0.01 1.67 3.76 -1.26 -1.23 115.29 120.95 1a2k s HIS 66 Ca -0.03 -0.29 0.01 0.00 -0.15 0.00 0.00 55.06 54.60 1a2k s HIS 66 Cb -0.07 -1.19 -0.01 0.00 1.11 0.00 0.00 32.58 32.41 1a2k s HIS 66 CO -0.00 0.53 -0.04 -1.54 -0.85 0.00 0.00 174.74 172.84 1a2k s SER 67 N -2.84 0.42 -0.11 1.40 1.04 0.99 -4.99 113.70 109.61 1a2k s SER 67 Ca 0.24 -0.27 -0.13 0.00 0.48 0.00 0.00 55.95 56.26 1a2k s SER 67 Cb -0.08 0.01 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 1a2k s SER 67 CO 0.13 -0.10 0.31 -0.63 0.98 0.00 0.00 173.24 173.93 1a2k s ILE 68 N -0.71 5.26 -0.20 -1.02 -1.09 -1.26 -0.71 121.20 121.47 1a2k s ILE 68 Ca -0.06 0.60 0.08 0.00 -2.23 0.00 0.00 60.65 59.04 1a2k s ILE 68 Cb -0.05 -3.63 -0.22 0.00 -1.58 0.00 0.00 42.46 36.98 1a2k s ILE 68 CO -0.00 0.47 0.04 0.41 -1.23 0.00 0.00 174.94 174.63 1a2k n THR 69 N 2.89 1.50 -3.63 2.92 -1.04 0.25 -4.93 114.28 112.23 1a2k n THR 69 Ca -0.13 -0.71 -0.12 0.00 -2.04 0.00 0.00 64.05 61.04 1a2k n THR 69 Cb 0.52 -1.05 -0.07 0.00 -1.82 0.00 0.00 70.33 67.92 1a2k n THR 69 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1a2k s ALA 70 N -2.52 -1.83 -0.17 2.41 0.00 -0.83 -5.02 121.76 113.80 1a2k s ALA 70 Ca -0.21 2.10 -0.03 0.00 0.00 0.00 0.00 51.96 53.82 1a2k s ALA 70 Cb 0.07 -1.26 0.05 0.00 0.00 0.00 0.00 23.12 21.99 1a2k s ALA 70 CO 0.73 -0.34 0.03 1.14 0.00 0.00 0.00 175.76 177.32 1a2k s GLN 71 N 0.63 0.63 -0.12 0.00 -2.07 -1.26 -1.26 119.66 116.20 1a2k s GLN 71 Ca -0.02 -0.30 -0.02 0.00 -1.82 0.00 0.00 55.36 53.20 1a2k s GLN 71 Cb -0.05 -1.87 -0.03 0.00 -1.09 0.00 0.00 33.01 29.97 1a2k s GLN 71 CO -0.04 -0.57 -0.04 -0.51 -1.32 0.00 0.00 175.29 172.81 1a2k s ASP 72 N 1.89 4.85 -0.00 12.60 1.01 0.09 -4.96 116.67 132.15 1a2k s ASP 72 Ca 0.00 -0.05 0.07 0.00 0.71 0.00 0.00 52.55 53.28 1a2k s ASP 72 Cb -0.16 -1.59 -0.02 0.00 1.01 0.00 0.00 42.92 42.16 1a2k s ASP 72 CO -0.07 0.25 -0.22 -1.00 0.21 0.00 0.00 175.17 174.34 1a2k s HIS 73 N -0.12 1.95 -0.04 4.23 3.76 -1.26 -1.17 115.29 122.64 1a2k s HIS 73 Ca 0.03 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.46 1a2k s HIS 73 Cb -0.13 -1.24 0.02 0.00 1.11 0.00 0.00 32.58 32.34 1a2k s HIS 73 CO 0.02 -0.00 0.24 -0.65 -0.85 0.00 0.00 174.74 173.50 1a2k s GLN 74 N -0.66 0.49 0.33 1.40 -0.21 -0.73 -4.87 119.66 115.42 1a2k s GLN 74 Ca 0.08 -0.06 -0.25 0.00 0.02 0.00 0.00 55.36 55.15 1a2k s GLN 74 Cb -0.09 0.22 -0.10 0.00 1.00 0.00 0.00 33.01 34.04 1a2k s GLN 74 CO -0.00 -0.11 0.94 -1.25 -2.12 0.00 0.00 175.29 172.74 1a2k s PRO 75 N -0.85 4.53 0.40 2.91 0.04 -1.26 -0.41 135.00 140.37 1a2k s PRO 75 Ca -0.09 1.29 0.08 0.00 0.04 0.00 0.00 61.00 62.31 1a2k s PRO 75 Cb -0.05 -2.73 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1a2k s PRO 75 CO 0.02 0.25 0.41 0.95 0.04 0.00 0.00 177.00 178.67 1a2k s THR 76 N -1.68 2.90 0.62 1.26 -4.23 0.19 -4.87 115.64 109.82 1a2k s THR 76 Ca 0.51 -1.26 0.36 0.00 -1.18 0.00 0.00 61.69 60.11 1a2k s THR 76 Cb -0.17 -3.04 0.39 0.00 1.34 0.00 0.00 72.50 71.02 1a2k s THR 76 CO 0.22 -0.03 2.30 -0.65 -0.54 0.00 0.00 174.62 175.93 1a2k h PRO 77 N 0.97 0.00 -0.62 3.99 0.11 -1.98 -0.79 132.00 133.68 1a2k h PRO 77 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1a2k h PRO 77 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1a2k h PRO 77 CO 0.55 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.09 1a2k n ASP 78 N -3.55 3.51 -0.95 -2.05 8.00 -1.26 -4.93 116.55 115.32 1a2k n ASP 78 Ca -0.03 -2.11 -0.07 0.00 0.71 0.00 0.00 54.79 53.30 1a2k n ASP 78 Cb 0.08 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 40.74 1a2k n ASP 78 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1a2k n SER 79 N 1.19 -2.77 -4.80 -2.24 7.64 -0.30 -5.02 113.62 107.32 1a2k n SER 79 Ca 0.21 -0.06 -0.24 0.00 1.01 0.00 0.00 58.87 59.79 1a2k n SER 79 Cb 0.59 -1.85 -0.05 0.00 -1.01 0.00 0.00 64.21 61.89 1a2k n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1a2k s ILE 81 N -1.96 3.51 -0.31 0.00 1.01 0.34 0.53 121.20 124.32 1a2k s ILE 81 Ca 0.32 -0.49 -0.10 0.00 0.00 0.00 0.00 60.65 60.38 1a2k s ILE 81 Cb -0.09 -2.53 -0.02 0.00 0.01 0.00 0.00 42.46 39.84 1a2k s ILE 81 CO 0.24 0.49 0.16 -0.51 0.00 0.00 0.00 174.94 175.32 1a2k s ILE 82 N 0.56 4.74 -0.16 2.92 2.07 0.45 0.51 121.20 132.29 1a2k s ILE 82 Ca -0.05 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 58.89 1a2k s ILE 82 Cb -0.15 -3.38 0.00 0.00 0.13 0.00 0.00 42.46 39.06 1a2k s ILE 82 CO 0.03 0.10 -0.16 -0.44 -1.91 0.00 0.00 174.94 172.56 1a2k s SER 83 N 1.64 3.57 -0.10 4.50 0.01 0.14 -1.77 113.70 121.69 1a2k s SER 83 Ca 0.05 -0.50 0.04 0.00 1.31 0.00 0.00 55.95 56.85 1a2k s SER 83 Cb -0.17 -1.55 -0.00 0.00 0.21 0.00 0.00 66.02 64.51 1a2k s SER 83 CO 0.07 0.07 -0.23 -0.32 0.41 0.00 0.00 173.24 173.23 1a2k s MET 84 N 0.91 3.07 -0.09 12.44 1.75 -0.32 -0.28 119.30 136.79 1a2k s MET 84 Ca -0.04 -0.87 0.00 0.00 -1.25 0.00 0.00 55.69 53.54 1a2k s MET 84 Cb -0.15 -2.32 -0.03 0.00 2.84 0.00 0.00 34.83 35.17 1a2k s MET 84 CO -0.02 0.18 -0.08 0.08 -0.65 0.00 0.00 175.02 174.52 1a2k s VAL 85 N 0.35 3.54 -0.20 10.11 1.01 0.92 -0.74 120.40 135.39 1a2k s VAL 85 Ca -0.18 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.29 1a2k s VAL 85 Cb -0.18 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.78 1a2k s VAL 85 CO 0.09 0.57 -0.14 0.54 0.00 0.00 0.00 175.10 176.15 1a2k s VAL 86 N -0.43 1.88 0.00 2.92 0.11 -0.39 -1.84 120.40 122.65 1a2k s VAL 86 Ca 0.06 -1.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.04 1a2k s VAL 86 Cb -0.12 -1.85 0.00 0.00 -1.53 0.00 0.00 36.38 32.88 1a2k s VAL 86 CO 0.02 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.68 1a2k n GLY 87 N 4.62 4.02 3.13 6.54 0.00 -0.82 -0.59 105.19 122.09 1a2k n GLY 87 Ca -0.17 -1.12 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1a2k n GLY 87 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1a2k s GLN 88 N 0.71 0.72 0.29 1.61 -0.21 0.11 -0.55 119.66 122.34 1a2k s GLN 88 Ca 0.00 -1.00 0.02 0.00 0.02 0.00 0.00 55.36 54.40 1a2k s GLN 88 Cb 0.00 -0.44 -0.02 0.00 1.00 0.00 0.00 33.01 33.55 1a2k s GLN 88 CO 0.00 0.07 0.29 -0.48 -2.12 0.00 0.00 175.29 173.05 1a2k s LEU 89 N -2.08 1.36 -0.26 2.90 0.05 0.71 -0.01 118.68 121.35 1a2k s LEU 89 Ca -0.01 -1.56 -0.02 0.00 0.05 0.00 0.00 54.13 52.59 1a2k s LEU 89 Cb -0.06 0.76 0.15 0.00 -2.05 0.00 0.00 46.19 45.00 1a2k s LEU 89 CO -0.00 -1.05 0.46 -0.75 -0.55 0.00 0.00 176.35 174.45 1a2k s LYS 90 N -3.59 0.43 0.03 1.48 2.20 -0.37 -1.32 119.74 118.60 1a2k s LYS 90 Ca 0.37 0.71 -0.20 0.00 -0.36 0.00 0.00 55.97 56.49 1a2k s LYS 90 Cb 0.03 -0.10 -0.06 0.00 -1.51 0.00 0.00 37.83 36.18 1a2k s LYS 90 CO 0.21 -0.63 0.59 0.00 -0.36 0.00 0.00 175.35 175.16 1a2k s ALA 91 N 2.66 3.53 0.00 3.13 0.00 -1.26 -1.81 121.76 128.01 1a2k s ALA 91 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.16 1a2k s ALA 91 Cb -0.15 -2.70 0.00 0.00 0.00 0.00 0.00 23.12 20.27 1a2k s ALA 91 CO -0.18 0.27 0.00 -0.25 0.00 0.00 0.00 175.76 175.61 1a2k n ASP 92 N 2.25 0.00 -0.35 0.00 8.00 0.10 -0.29 116.55 126.26 1a2k n ASP 92 Ca -0.08 0.00 0.07 0.00 0.71 0.00 0.00 54.79 55.49 1a2k n ASP 92 Cb 0.51 0.00 0.15 0.00 -0.02 0.00 0.00 41.12 41.76 1a2k n ASP 92 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1a2k n GLU 93 N 6.66 2.22 -1.74 -1.24 -0.58 -1.26 -4.97 120.64 119.73 1a2k n GLU 93 Ca 0.00 -2.40 -0.32 0.00 -0.42 0.00 0.00 57.16 54.02 1a2k n GLU 93 Cb 0.00 -1.48 0.04 0.00 -0.57 0.00 0.00 31.44 29.43 1a2k n GLU 93 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1a2k s ASP 94 N -2.07 5.48 0.67 1.62 1.01 0.60 -4.97 116.67 119.00 1a2k s ASP 94 Ca 0.28 1.72 -0.17 0.00 0.71 0.00 0.00 52.55 55.09 1a2k s ASP 94 Cb 0.23 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 1a2k s ASP 94 CO 0.05 -1.37 0.70 -2.65 0.21 0.00 0.00 175.17 172.11 1a2k n PRO 95 N -2.70 0.50 -1.81 8.23 -0.02 -1.26 -4.67 135.00 133.27 1a2k n PRO 95 Ca 0.08 0.21 -0.42 0.00 -2.02 0.00 0.00 63.50 61.36 1a2k n PRO 95 Cb 0.53 -1.95 -0.02 0.00 -0.02 0.00 0.00 33.50 32.04 1a2k n PRO 95 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1a2k s ILE 96 N -1.77 2.17 0.04 4.25 1.01 -1.26 -4.74 121.20 120.91 1a2k s ILE 96 Ca 0.70 0.14 0.07 0.00 0.00 0.00 0.00 60.65 61.57 1a2k s ILE 96 Cb -0.38 -3.09 -0.03 0.00 0.01 0.00 0.00 42.46 38.97 1a2k s ILE 96 CO 0.53 0.02 -0.21 -0.04 0.00 0.00 0.00 174.94 175.24 1a2k s MET 97 N -0.22 1.43 0.76 2.79 -1.94 -0.43 -4.96 119.30 116.72 1a2k s MET 97 Ca 0.64 -0.96 -0.12 0.00 -1.71 0.00 0.00 55.69 53.54 1a2k s MET 97 Cb -0.47 -1.55 0.05 0.00 2.01 0.00 0.00 34.83 34.87 1a2k s MET 97 CO 0.45 0.40 1.11 0.20 -0.01 0.00 0.00 175.02 177.17 1a2k s GLY 98 N -1.20 1.87 0.03 -0.03 0.00 -1.26 -0.20 107.32 106.53 1a2k s GLY 98 Ca 0.08 0.44 -0.10 0.00 0.00 0.00 0.00 44.72 45.14 1a2k s GLY 98 CO 0.02 0.80 0.21 -0.11 0.00 0.00 0.00 173.10 174.03 1a2k s PHE 99 N -2.63 0.01 -0.04 1.90 -0.12 0.29 -0.97 117.98 116.42 1a2k s PHE 99 Ca 0.65 -0.17 0.03 0.00 -0.05 0.00 0.00 56.93 57.39 1a2k s PHE 99 Cb -0.20 -0.00 0.00 0.00 -0.63 0.00 0.00 43.02 42.19 1a2k s PHE 99 CO 0.51 -0.41 -0.13 -1.01 -0.05 0.00 0.00 175.22 174.13 1a2k s HIS 100 N -2.25 1.31 -0.04 3.49 3.76 0.73 -1.95 115.29 120.34 1a2k s HIS 100 Ca -0.07 -0.36 -0.03 0.00 -0.15 0.00 0.00 55.06 54.45 1a2k s HIS 100 Cb -0.02 -0.91 0.02 0.00 1.11 0.00 0.00 32.58 32.77 1a2k s HIS 100 CO -0.02 -0.14 0.09 -1.14 -0.85 0.00 0.00 174.74 172.68 1a2k s GLN 101 N 0.15 0.08 -0.07 1.40 0.74 -0.77 -1.72 119.66 119.48 1a2k s GLN 101 Ca -0.04 0.17 0.05 0.00 0.05 0.00 0.00 55.36 55.59 1a2k s GLN 101 Cb -0.10 -0.03 -0.01 0.00 1.10 0.00 0.00 33.01 33.97 1a2k s GLN 101 CO 0.01 -0.06 -0.24 1.41 -0.55 0.00 0.00 175.29 175.87 1a2k s MET 102 N 0.37 2.59 0.00 1.67 -2.45 0.03 -0.06 119.30 121.45 1a2k s MET 102 Ca -0.03 -0.86 0.04 0.00 -1.25 0.00 0.00 55.69 53.59 1a2k s MET 102 Cb -0.04 -2.12 -0.01 0.00 1.25 0.00 0.00 34.83 33.91 1a2k s MET 102 CO -0.01 0.30 -0.12 -0.06 1.05 0.00 0.00 175.02 176.18 1a2k s PHE 103 N 0.02 1.08 -0.21 4.11 0.08 0.62 -1.11 117.98 122.57 1a2k s PHE 103 Ca -0.08 -0.24 -0.01 0.00 0.12 0.00 0.00 56.93 56.73 1a2k s PHE 103 Cb -0.15 -0.68 0.02 0.00 -0.57 0.00 0.00 43.02 41.64 1a2k s PHE 103 CO 0.05 -0.01 -0.12 -1.17 -0.10 0.00 0.00 175.22 173.87 1a2k s LEU 104 N -0.48 2.66 -0.12 -0.37 2.96 0.17 0.26 118.68 123.77 1a2k s LEU 104 Ca 0.04 -0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 53.23 1a2k s LEU 104 Cb -0.05 -1.60 -0.03 0.00 0.50 0.00 0.00 46.19 45.01 1a2k s LEU 104 CO -0.00 -0.05 0.01 -0.76 -1.32 0.00 0.00 176.35 174.23 1a2k s LEU 105 N 1.34 3.57 -0.02 -0.68 1.43 0.18 0.14 118.68 124.64 1a2k s LEU 105 Ca 0.03 0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.21 1a2k s LEU 105 Cb -0.15 -1.84 0.02 0.00 0.03 0.00 0.00 46.19 44.25 1a2k s LEU 105 CO -0.08 0.29 0.01 -0.75 0.23 0.00 0.00 176.35 176.05 1a2k s LYS 106 N -0.34 0.10 -1.03 1.70 2.20 -0.70 -0.51 119.74 121.15 1a2k s LYS 106 Ca 0.07 0.10 -0.22 0.00 -0.36 0.00 0.00 55.97 55.56 1a2k s LYS 106 Cb -0.12 -0.29 0.06 0.00 -1.51 0.00 0.00 37.83 35.97 1a2k s LYS 106 CO 0.02 -0.12 1.44 1.21 -0.36 0.00 0.00 175.35 177.55 1a2k s ASN 107 N 0.82 6.54 -0.18 1.43 3.84 -1.26 -1.47 114.94 124.66 1a2k s ASN 107 Ca -0.07 -1.59 -0.03 0.00 0.21 0.00 0.00 52.86 51.38 1a2k s ASN 107 Cb -0.11 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.02 1a2k s ASN 107 CO -0.02 -1.44 -0.06 -0.63 -2.79 0.00 0.00 177.10 172.16 1a2k s ILE 108 N 4.70 3.51 -1.30 -5.21 1.01 -0.55 -4.59 121.20 118.77 1a2k s ILE 108 Ca 0.45 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.59 1a2k s ILE 108 Cb -0.00 -2.55 -0.00 0.00 0.01 0.00 0.00 42.46 39.91 1a2k s ILE 108 CO -0.09 0.47 0.62 -3.20 0.00 0.00 0.00 174.94 172.74 1a2k n ASN 109 N 4.10 -1.74 -2.89 3.58 2.85 -1.26 -3.27 115.26 116.63 1a2k n ASN 109 Ca -0.18 -0.92 -0.22 0.00 -0.11 0.00 0.00 54.58 53.16 1a2k n ASN 109 Cb 0.52 -3.61 0.03 0.00 1.24 0.00 0.00 39.78 37.96 1a2k n ASN 109 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 1a2k n ASP 110 N -2.97 -6.00 -3.66 1.20 8.00 -1.26 -5.00 116.55 106.87 1a2k n ASP 110 Ca -0.26 -0.27 -0.15 0.00 0.71 0.00 0.00 54.79 54.82 1a2k n ASP 110 Cb 0.66 -4.82 -0.08 0.00 -0.02 0.00 0.00 41.12 36.87 1a2k n ASP 110 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1a2k s ALA 111 N -3.16 -1.20 -0.45 2.24 0.00 -1.20 -5.12 121.76 112.86 1a2k s ALA 111 Ca 0.28 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.79 1a2k s ALA 111 Cb -0.12 0.04 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1a2k s ALA 111 CO 0.35 -0.31 0.67 -1.58 0.00 0.00 0.00 175.76 174.90 1a2k s TRP 112 N -1.26 3.04 0.09 0.00 0.52 -1.26 -1.48 118.94 118.59 1a2k s TRP 112 Ca -0.12 -0.09 -0.02 0.00 0.02 0.00 0.00 56.10 55.88 1a2k s TRP 112 Cb -0.03 -3.45 -0.05 0.00 -1.15 0.00 0.00 33.47 28.79 1a2k s TRP 112 CO 0.07 -0.93 0.28 0.14 0.02 0.00 0.00 176.95 176.52 1a2k s VAL 113 N 2.92 5.30 -0.16 4.03 -7.23 -0.55 -4.87 120.40 119.84 1a2k s VAL 113 Ca 0.23 -0.18 -0.26 0.00 -1.81 0.00 0.00 61.98 59.96 1a2k s VAL 113 Cb -0.14 -3.62 -0.01 0.00 0.56 0.00 0.00 36.38 33.16 1a2k s VAL 113 CO 0.19 0.12 0.88 0.00 -0.31 0.00 0.00 175.10 175.98 1a2k n THR 115 N 4.77 1.66 -4.81 0.00 -2.24 0.12 -4.32 114.28 109.46 1a2k n THR 115 Ca 0.06 -0.55 -0.27 0.00 -2.27 0.00 0.00 64.05 61.02 1a2k n THR 115 Cb 0.48 -1.68 -0.17 0.00 -2.10 0.00 0.00 70.33 66.87 1a2k n THR 115 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1a2k s ASN 116 N -6.90 2.20 -0.03 3.42 0.01 -1.22 -1.71 114.94 110.71 1a2k s ASN 116 Ca -0.28 -0.38 -0.01 0.00 -0.71 0.00 0.00 52.86 51.48 1a2k s ASN 116 Cb 0.08 -0.94 0.02 0.00 0.41 0.00 0.00 41.25 40.82 1a2k s ASN 116 CO 0.68 0.09 0.06 -0.62 -1.51 0.00 0.00 177.10 175.81 1a2k s ASP 117 N 0.46 -0.02 -0.04 -1.22 -1.08 -0.51 -0.65 116.67 113.59 1a2k s ASP 117 Ca -0.14 0.12 -0.02 0.00 -0.52 0.00 0.00 52.55 52.00 1a2k s ASP 117 Cb -0.16 0.06 0.03 0.00 -1.46 0.00 0.00 42.92 41.40 1a2k s ASP 117 CO 0.05 -0.08 0.07 -0.04 0.52 0.00 0.00 175.17 175.69 1a2k s MET 118 N 0.63 -0.05 0.04 4.34 -1.94 -0.26 -1.18 119.30 120.88 1a2k s MET 118 Ca -0.05 0.37 0.09 0.00 -1.71 0.00 0.00 55.69 54.39 1a2k s MET 118 Cb -0.07 -0.42 -0.03 0.00 2.01 0.00 0.00 34.83 36.32 1a2k s MET 118 CO -0.02 -0.29 -0.25 0.12 -0.01 0.00 0.00 175.02 174.57 1a2k s PHE 119 N 1.97 2.16 -0.13 -0.03 5.36 -0.37 -0.79 117.98 126.15 1a2k s PHE 119 Ca 0.02 -0.40 -0.11 0.00 -0.96 0.00 0.00 56.93 55.48 1a2k s PHE 119 Cb -0.12 -1.30 0.03 0.00 -0.34 0.00 0.00 43.02 41.30 1a2k s PHE 119 CO -0.03 0.11 0.33 1.03 -1.46 0.00 0.00 175.22 175.20 1a2k s ARG 120 N -1.21 0.38 0.61 10.12 3.00 -0.70 -0.97 118.95 130.18 1a2k s ARG 120 Ca 0.10 0.48 -0.13 0.00 0.00 0.00 0.00 55.73 56.18 1a2k s ARG 120 Cb -0.10 0.16 -0.04 0.00 0.00 0.00 0.00 34.95 34.98 1a2k s ARG 120 CO 0.02 -0.06 1.03 -0.51 0.00 0.00 0.00 175.30 175.78 1a2k s LEU 121 N 0.31 3.36 -1.20 2.53 1.43 -1.26 -0.19 118.68 123.65 1a2k s LEU 121 Ca -0.01 1.59 -0.07 0.00 -1.03 0.00 0.00 54.13 54.61 1a2k s LEU 121 Cb -0.03 -4.50 0.22 0.00 0.03 0.00 0.00 46.19 41.91 1a2k s LEU 121 CO -0.01 -1.01 1.71 0.00 0.23 0.00 0.00 176.35 177.27 1a2k n ALA 122 N -2.40 5.26 -3.52 4.21 0.00 -0.15 -4.80 120.51 119.11 1a2k n ALA 122 Ca 0.07 -4.51 -0.33 0.00 0.00 0.00 0.00 53.44 48.68 1a2k n ALA 122 Cb 0.54 -2.74 -0.16 0.00 0.00 0.00 0.00 19.45 17.09 1a2k n ALA 122 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1a2k s LEU 123 N -1.14 2.29 0.00 0.00 1.43 -1.26 -4.65 118.68 115.35 1a2k s LEU 123 Ca 0.36 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.93 1a2k s LEU 123 Cb 0.07 -1.50 0.00 0.00 0.03 0.00 0.00 46.19 44.79 1a2k s LEU 123 CO 0.04 0.09 0.00 1.41 0.23 0.00 0.00 176.35 178.12 1a2k n HIS 124 N 4.02 -0.23 -0.02 0.29 8.25 -1.26 -5.09 115.22 121.17 1a2k n HIS 124 Ca -0.19 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.28 1a2k n HIS 124 Cb 0.52 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.54 1a2k n HIS 124 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1a2k n ASN 125 N -0.28 2.37 -4.48 0.41 3.02 -1.26 -4.98 115.26 110.06 1a2k n ASN 125 Ca 0.00 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.20 1a2k n ASN 125 Cb 0.00 1.24 -0.12 0.00 -0.61 0.00 0.00 39.78 40.29 1a2k n ASN 125 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1a2k s PHE 126 N -2.59 3.06 -2.59 3.10 0.08 -1.26 -5.39 117.98 112.39 1a2k s PHE 126 Ca -0.05 -0.35 0.27 0.00 0.12 0.00 0.00 56.93 56.92 1a2k s PHE 126 Cb 0.06 -2.06 0.89 0.00 -0.57 0.00 0.00 43.02 41.34 1a2k s PHE 126 CO 0.46 -0.15 1.66 0.41 -0.10 0.00 0.00 175.22 177.50