#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k s GLU 2 N 0.00 0.47 0.06 2.12 -1.05 -1.26 -5.14 118.70 113.90 2k3k s GLU 2 Ca 0.00 0.03 -0.31 0.00 -0.15 0.00 0.00 54.97 54.55 2k3k s GLU 2 Cb 0.00 0.21 -0.06 0.00 -0.44 0.00 0.00 34.13 33.85 2k3k s GLU 2 CO 0.00 -0.10 1.24 -1.64 0.95 0.00 0.00 175.26 175.70 2k3k s MET 3 N -0.66 4.40 0.38 -4.83 -1.94 -1.26 -4.96 119.30 110.43 2k3k s MET 3 Ca -0.08 1.82 -0.26 0.00 -1.71 0.00 0.00 55.69 55.46 2k3k s MET 3 Cb -0.04 -3.36 -0.09 0.00 2.01 0.00 0.00 34.83 33.35 2k3k s MET 3 CO 0.02 -0.31 1.23 -0.51 -0.01 0.00 0.00 175.02 175.44 2k3k s LEU 4 N 1.20 4.28 0.23 -0.03 1.43 -1.26 -4.97 118.68 119.56 2k3k s LEU 4 Ca 0.60 2.50 -0.31 0.00 -1.03 0.00 0.00 54.13 55.88 2k3k s LEU 4 Cb -0.30 -3.88 -0.14 0.00 0.03 0.00 0.00 46.19 41.90 2k3k s LEU 4 CO 0.29 -0.65 1.39 -2.65 0.23 0.00 0.00 176.35 174.96 2k3k n PRO 5 N 0.33 1.96 -3.55 1.29 -0.02 -1.26 -4.71 135.00 129.04 2k3k n PRO 5 Ca 0.03 0.70 -0.17 0.00 -2.02 0.00 0.00 63.50 62.04 2k3k n PRO 5 Cb 0.45 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 2k3k n PRO 5 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2k3k s ASN 6 N 0.28 -0.59 0.00 2.55 2.47 -1.26 -5.05 114.94 113.34 2k3k s ASN 6 Ca 0.69 0.58 0.18 0.00 0.42 0.00 0.00 52.86 54.73 2k3k s ASN 6 Cb -0.67 0.51 0.91 0.00 -1.45 0.00 0.00 41.25 40.55 2k3k s ASN 6 CO 0.50 -0.62 1.56 1.67 -3.72 0.00 0.00 177.10 176.49 2k3k n GLN 7 N 0.86 0.23 -4.29 0.43 7.27 -1.26 -4.57 117.38 116.04 2k3k n GLN 7 Ca -0.19 0.12 -0.18 0.00 0.07 0.00 0.00 57.00 56.82 2k3k n GLN 7 Cb 0.57 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.59 2k3k n GLN 7 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k3k s THR 8 N -2.62 0.74 0.21 1.69 2.01 -1.26 -0.89 115.64 115.52 2k3k s THR 8 Ca 0.16 -0.61 0.09 0.00 0.31 0.00 0.00 61.69 61.65 2k3k s THR 8 Cb 0.12 -0.66 -0.05 0.00 0.01 0.00 0.00 72.50 71.92 2k3k s THR 8 CO 0.28 0.06 -0.18 0.27 -0.69 0.00 0.00 174.62 174.37 2k3k s ILE 9 N -0.52 1.99 -0.24 1.82 -4.36 -0.30 -1.94 121.20 117.65 2k3k s ILE 9 Ca 0.01 -2.15 0.01 0.00 -0.26 0.00 0.00 60.65 58.27 2k3k s ILE 9 Cb -0.05 -2.04 0.06 0.00 1.25 0.00 0.00 42.46 41.67 2k3k s ILE 9 CO 0.00 -0.42 -0.08 -0.47 0.24 0.00 0.00 174.94 174.21 2k3k s TYR 10 N -2.46 2.68 -0.09 1.37 5.04 0.41 -1.38 117.35 122.93 2k3k s TYR 10 Ca 0.22 -1.92 -0.08 0.00 -2.44 0.00 0.00 57.07 52.85 2k3k s TYR 10 Cb -0.04 -1.70 -0.04 0.00 0.35 0.00 0.00 41.96 40.53 2k3k s TYR 10 CO 0.09 -0.81 0.19 0.42 -1.34 0.00 0.00 175.55 174.10 2k3k s ILE 11 N 1.30 5.42 0.19 3.14 1.01 -0.06 -1.54 121.20 130.67 2k3k s ILE 11 Ca -0.06 0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 2k3k s ILE 11 Cb -0.19 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 2k3k s ILE 11 CO -0.06 0.58 0.24 0.20 0.00 0.00 0.00 174.94 175.90 2k3k s ASN 12 N -1.14 0.09 -1.36 3.58 0.01 0.67 -1.08 114.94 115.71 2k3k s ASN 12 Ca 0.18 -1.13 0.00 0.00 -0.71 0.00 0.00 52.86 51.20 2k3k s ASN 12 Cb -0.13 0.43 0.00 0.00 0.41 0.00 0.00 41.25 41.97 2k3k s ASN 12 CO 0.07 -0.91 0.00 -3.20 -1.51 0.00 0.00 177.10 171.55 2k3k n ASN 13 N -0.26 -4.51 -4.73 -1.22 5.15 -1.12 -1.70 115.26 106.87 2k3k n ASN 13 Ca -0.02 0.16 -0.42 0.00 -0.60 0.00 0.00 54.58 53.71 2k3k n ASN 13 Cb 0.64 -3.85 -0.03 0.00 -0.53 0.00 0.00 39.78 36.01 2k3k n ASN 13 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2k3k s LEU 14 N -5.49 4.41 -0.20 1.20 0.20 -0.54 -4.68 118.68 113.58 2k3k s LEU 14 Ca 0.00 2.33 -0.29 0.00 0.69 0.00 0.00 54.13 56.87 2k3k s LEU 14 Cb 0.00 -3.60 -0.04 0.00 -0.43 0.00 0.00 46.19 42.12 2k3k s LEU 14 CO 0.00 -0.53 1.86 0.21 -0.29 0.00 0.00 176.35 177.59 2k3k s ASN 15 N 0.54 6.06 0.03 3.68 3.84 -1.26 -4.41 114.94 123.42 2k3k s ASN 15 Ca 0.58 1.78 0.05 0.00 0.21 0.00 0.00 52.86 55.48 2k3k s ASN 15 Cb -0.36 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.05 2k3k s ASN 15 CO 0.36 -1.50 1.15 -1.84 -2.79 0.00 0.00 177.10 172.48 2k3k n GLU 16 N 8.07 0.02 0.23 0.43 0.28 -1.26 -1.79 120.64 126.62 2k3k n GLU 16 Ca 0.23 0.47 0.09 0.00 -0.16 0.00 0.00 57.16 57.78 2k3k n GLU 16 Cb 0.45 -1.55 0.57 0.00 1.43 0.00 0.00 31.44 32.34 2k3k n GLU 16 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 2k3k h LYS 17 N 0.00 0.00 -6.26 3.44 2.10 -1.93 -3.43 116.57 110.49 2k3k h LYS 17 Ca 0.00 0.00 -0.57 0.00 -2.00 0.00 0.00 60.65 58.08 2k3k h LYS 17 Cb 0.05 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 31.33 2k3k h LYS 17 CO 0.00 0.21 0.92 0.42 -2.00 0.00 0.00 179.45 178.99 2k3k s ILE 18 N -4.17 4.28 0.94 0.07 -1.09 -0.74 -5.03 121.20 115.46 2k3k s ILE 18 Ca -0.02 1.49 -0.14 0.00 -2.23 0.00 0.00 60.65 59.75 2k3k s ILE 18 Cb 0.13 -4.15 0.16 0.00 -1.58 0.00 0.00 42.46 37.03 2k3k s ILE 18 CO 0.64 -0.34 1.19 -1.59 -1.23 0.00 0.00 174.94 173.61 2k3k s LYS 19 N 3.80 0.85 0.17 2.79 -2.85 -1.26 -4.77 119.74 118.47 2k3k s LYS 19 Ca 0.53 0.02 -0.14 0.00 -1.00 0.00 0.00 55.97 55.38 2k3k s LYS 19 Cb -0.18 -1.83 0.12 0.00 -2.06 0.00 0.00 37.83 33.89 2k3k s LYS 19 CO 0.18 -2.34 1.74 -0.22 0.10 0.00 0.00 175.35 174.80 2k3k h LYS 20 N -1.60 0.27 -0.54 1.78 3.64 -1.93 0.33 116.57 118.52 2k3k h LYS 20 Ca -0.47 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 58.88 2k3k h LYS 20 Cb 1.30 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2k3k h LYS 20 CO 0.53 0.18 0.30 1.49 -2.27 0.00 0.00 179.45 179.67 2k3k h GLU 21 N 0.28 0.76 -0.48 1.90 4.81 -1.97 -0.15 114.58 119.72 2k3k h GLU 21 Ca 0.21 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.23 2k3k h GLU 21 Cb 0.22 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2k3k h GLU 21 CO -0.23 0.58 -0.17 0.93 -0.73 0.00 0.00 179.01 179.39 2k3k h GLU 22 N 0.73 0.93 0.07 1.92 5.08 -1.76 -1.09 114.58 120.46 2k3k h GLU 22 Ca 0.19 -0.36 -0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2k3k h GLU 22 Cb 0.05 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2k3k h GLU 22 CO -0.03 1.02 -0.04 1.25 -1.00 0.00 0.00 179.01 180.21 2k3k h LEU 23 N 0.82 -0.08 -0.12 1.33 7.12 -0.63 0.37 115.31 124.11 2k3k h LEU 23 Ca 0.12 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.13 2k3k h LEU 23 Cb 0.71 0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.85 2k3k h LEU 23 CO 0.05 -0.05 0.04 0.11 -0.13 0.00 0.00 178.44 178.47 2k3k h LYS 24 N -0.11 0.10 -0.20 1.25 1.57 -0.84 -1.07 116.57 117.28 2k3k h LYS 24 Ca -0.01 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.80 2k3k h LYS 24 Cb 0.09 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 2k3k h LYS 24 CO 0.02 0.07 -0.00 -0.22 -0.57 0.00 0.00 179.45 178.74 2k3k h LYS 25 N 0.10 0.06 -0.31 3.15 1.63 -1.08 -1.62 116.57 118.51 2k3k h LYS 25 Ca 0.05 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.84 2k3k h LYS 25 Cb 0.03 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 2k3k h LYS 25 CO -0.05 0.04 0.16 0.77 -3.45 0.00 0.00 179.45 176.92 2k3k h SER 26 N 0.06 0.39 0.08 4.20 0.02 -0.56 0.82 113.55 118.56 2k3k h SER 26 Ca 0.09 -0.10 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2k3k h SER 26 Cb 0.12 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 2k3k h SER 26 CO -0.16 0.38 -0.11 -0.07 -1.14 0.00 0.00 176.83 175.73 2k3k h LEU 27 N 0.37 -0.29 -1.39 5.07 3.38 -1.04 -0.74 115.31 120.67 2k3k h LEU 27 Ca 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2k3k h LEU 27 Cb 0.08 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2k3k h LEU 27 CO -0.02 -0.16 -0.29 0.22 0.09 0.00 0.00 178.44 178.28 2k3k h TYR 28 N -0.23 0.03 0.00 1.13 3.20 -1.06 0.59 116.97 120.63 2k3k h TYR 28 Ca 0.01 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.78 2k3k h TYR 28 Cb 0.23 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2k3k h TYR 28 CO -0.13 0.31 -0.48 0.00 -1.64 0.00 0.00 178.16 176.22 2k3k h ALA 29 N 1.69 0.83 0.00 1.82 0.00 -0.19 -3.39 119.26 120.01 2k3k h ALA 29 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k3k h ALA 29 Cb 0.52 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2k3k h ALA 29 CO 0.04 0.60 -0.23 0.44 0.00 0.00 0.00 179.25 180.10 2k3k n ILE 30 N -3.42 0.00 -0.06 0.00 -5.35 -0.34 -4.88 119.36 105.31 2k3k n ILE 30 Ca 0.00 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.50 2k3k n ILE 30 Cb 0.63 -0.22 0.32 0.00 -1.74 0.00 0.00 39.64 38.63 2k3k n ILE 30 CO 0.00 0.00 0.00 -0.26 -1.76 0.00 0.00 176.55 174.53 2k3k h PHE 31 N 0.00 0.65 -0.12 4.28 -1.00 -1.03 -2.62 116.94 117.10 2k3k h PHE 31 Ca 0.00 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.80 2k3k h PHE 31 Cb 0.23 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.58 2k3k h PHE 31 CO 0.00 0.49 0.09 0.77 -1.61 0.00 0.00 178.31 178.05 2k3k h SER 32 N 0.66 0.00 0.22 2.17 0.02 -1.69 -1.17 113.55 113.76 2k3k h SER 32 Ca 0.17 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2k3k h SER 32 Cb 0.09 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2k3k h SER 32 CO -0.02 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 2k3k n GLN 33 N -4.50 0.06 -0.12 3.45 3.00 -0.99 -0.39 117.38 117.89 2k3k n GLN 33 Ca -0.00 0.46 0.05 0.00 -0.01 0.00 0.00 57.00 57.50 2k3k n GLN 33 Cb 0.21 -1.66 0.12 0.00 0.00 0.00 0.00 30.24 28.91 2k3k n GLN 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2k3k n PHE 34 N -1.78 0.32 0.00 1.08 3.72 -0.44 -4.87 117.46 115.49 2k3k n PHE 34 Ca 0.01 -0.37 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2k3k n PHE 34 Cb 0.08 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.60 2k3k n PHE 34 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k3k n GLY 35 N 0.48 0.00 2.37 1.37 0.00 -0.82 -3.23 105.19 105.36 2k3k n GLY 35 Ca 0.10 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 2k3k n GLY 35 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k3k n GLN 36 N 0.00 -5.09 -1.74 1.61 -0.06 0.48 -3.82 117.38 108.75 2k3k n GLN 36 Ca 0.00 3.69 -0.42 0.00 -2.00 0.00 0.00 57.00 58.28 2k3k n GLN 36 Cb 0.00 -4.68 -0.01 0.00 -4.06 0.00 0.00 30.24 21.49 2k3k n GLN 36 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2k3k n ILE 37 N 1.86 1.76 -0.06 1.69 2.08 -1.26 -1.89 119.36 123.54 2k3k n ILE 37 Ca -0.03 -0.44 -0.08 0.00 0.56 0.00 0.00 62.75 62.76 2k3k n ILE 37 Cb 0.04 -1.84 -0.07 0.00 -0.75 0.00 0.00 39.64 37.03 2k3k n ILE 37 CO 0.00 0.00 0.00 -0.11 0.56 0.00 0.00 176.55 177.00 2k3k n LEU 38 N 0.94 2.23 -3.73 1.39 7.94 0.65 -4.78 117.00 121.64 2k3k n LEU 38 Ca 0.04 -0.05 -0.10 0.00 -1.11 0.00 0.00 56.01 54.79 2k3k n LEU 38 Cb 0.37 -0.28 -0.03 0.00 0.53 0.00 0.00 43.42 44.01 2k3k n LEU 38 CO 0.63 0.60 0.31 -0.62 -1.11 0.00 0.00 177.39 177.20 2k3k s ASP 39 N -5.02 -0.29 -0.00 1.96 2.15 -0.60 -4.98 116.67 109.89 2k3k s ASP 39 Ca -0.14 -0.46 0.00 0.00 0.43 0.00 0.00 52.55 52.38 2k3k s ASP 39 Cb 0.04 0.60 -0.00 0.00 -0.30 0.00 0.00 42.92 43.26 2k3k s ASP 39 CO 0.33 -1.08 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.61 2k3k s ILE 40 N -3.87 0.08 -0.31 4.11 1.01 -1.26 -0.60 121.20 120.35 2k3k s ILE 40 Ca 0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 60.65 60.67 2k3k s ILE 40 Cb -0.02 -0.08 0.11 0.00 0.01 0.00 0.00 42.46 42.49 2k3k s ILE 40 CO -0.02 0.02 0.15 -0.69 0.00 0.00 0.00 174.94 174.39 2k3k s VAL 41 N -0.03 0.23 0.09 2.92 1.01 0.28 -5.00 120.40 119.90 2k3k s VAL 41 Ca 0.00 -1.17 -0.06 0.00 0.00 0.00 0.00 61.98 60.75 2k3k s VAL 41 Cb -0.00 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 2k3k s VAL 41 CO -0.00 -0.78 0.14 0.00 0.00 0.00 0.00 175.10 174.46 2k3k s ALA 42 N 1.71 0.05 0.18 5.51 0.00 -1.26 -1.19 121.76 126.76 2k3k s ALA 42 Ca 0.11 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2k3k s ALA 42 Cb -0.18 0.50 -0.04 0.00 0.00 0.00 0.00 23.12 23.40 2k3k s ALA 42 CO -0.25 -0.49 0.06 -0.51 0.00 0.00 0.00 175.76 174.57 2k3k s LEU 43 N -2.90 1.75 0.53 0.00 2.01 -0.15 -4.97 118.68 114.95 2k3k s LEU 43 Ca 0.08 -1.27 0.31 0.00 0.01 0.00 0.00 54.13 53.27 2k3k s LEU 43 Cb 0.06 0.14 1.31 0.00 0.01 0.00 0.00 46.19 47.70 2k3k s LEU 43 CO -0.09 -0.70 1.97 0.07 1.01 0.00 0.00 176.35 178.62 2k3k h LYS 44 N 2.66 0.00 -6.73 1.70 2.10 -1.97 -3.30 116.57 111.03 2k3k h LYS 44 Ca -0.36 0.00 -0.53 0.00 -2.00 0.00 0.00 60.65 57.76 2k3k h LYS 44 Cb 1.22 0.00 0.06 0.00 -0.90 0.00 0.00 32.23 32.61 2k3k h LYS 44 CO 0.60 0.07 0.82 0.95 -2.00 0.00 0.00 179.45 179.88 2k3k s THR 45 N -3.73 2.48 0.28 0.07 -4.23 -1.26 -4.81 115.64 104.45 2k3k s THR 45 Ca 0.00 0.39 0.02 0.00 -1.18 0.00 0.00 61.69 60.92 2k3k s THR 45 Cb 0.10 -3.25 0.28 0.00 1.34 0.00 0.00 72.50 70.96 2k3k s THR 45 CO 0.56 0.06 1.81 0.25 -0.54 0.00 0.00 174.62 176.76 2k3k h LEU 46 N 5.33 0.84 -2.49 4.79 5.85 -1.97 -0.36 115.31 127.29 2k3k h LEU 46 Ca -0.46 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.34 2k3k h LEU 46 Cb 1.22 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.15 2k3k h LEU 46 CO 0.81 0.40 0.15 0.50 -0.34 0.00 0.00 178.44 179.96 2k3k h LYS 47 N 0.89 0.00 0.00 1.25 1.63 -1.93 -0.08 116.57 118.33 2k3k h LYS 47 Ca 0.51 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 60.23 2k3k h LYS 47 Cb 0.60 0.00 -0.17 0.00 -0.60 0.00 0.00 32.23 32.06 2k3k h LYS 47 CO -0.30 0.00 -0.72 -1.33 -3.45 0.00 0.00 179.45 173.65 2k3k n MET 48 N -3.21 0.87 0.00 1.90 2.81 -0.21 -4.51 117.12 114.76 2k3k n MET 48 Ca -0.02 -2.68 0.00 0.00 -1.81 0.00 0.00 57.70 53.20 2k3k n MET 48 Cb 0.23 -0.90 0.00 0.00 -0.71 0.00 0.00 33.22 31.84 2k3k n MET 48 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2k3k n ARG 49 N -0.41 1.51 0.02 0.03 0.63 -0.20 -0.98 116.66 117.27 2k3k n ARG 49 Ca 0.13 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.18 2k3k n ARG 49 Cb 0.89 -0.91 0.50 0.00 0.45 0.00 0.00 32.46 33.39 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k3k n GLY 50 N 2.85 -1.39 3.34 5.14 0.00 -0.31 -4.50 105.19 110.32 2k3k n GLY 50 Ca 0.00 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.86 2k3k n GLY 50 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k3k s GLN 51 N -3.04 1.12 0.28 1.61 -2.07 -1.26 -1.47 119.66 114.83 2k3k s GLN 51 Ca 0.11 -1.00 -0.16 0.00 -1.82 0.00 0.00 55.36 52.49 2k3k s GLN 51 Cb 0.15 0.41 0.01 0.00 -1.09 0.00 0.00 33.01 32.49 2k3k s GLN 51 CO 0.47 -0.42 0.60 0.00 -1.32 0.00 0.00 175.29 174.62 2k3k s ALA 52 N -3.90 -0.60 0.04 2.60 0.00 -0.25 -4.29 121.76 115.36 2k3k s ALA 52 Ca 0.11 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.43 2k3k s ALA 52 Cb 0.03 0.95 -0.02 0.00 0.00 0.00 0.00 23.12 24.08 2k3k s ALA 52 CO -0.05 -0.93 -0.16 -0.06 0.00 0.00 0.00 175.76 174.56 2k3k s PHE 53 N -3.74 1.38 -0.01 0.00 0.08 -0.33 -0.88 117.98 114.48 2k3k s PHE 53 Ca 0.18 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.88 2k3k s PHE 53 Cb -0.03 -0.83 0.01 0.00 -0.57 0.00 0.00 43.02 41.60 2k3k s PHE 53 CO 0.09 0.05 0.01 0.14 -0.10 0.00 0.00 175.22 175.40 2k3k s VAL 54 N -0.80 0.04 -0.11 -0.44 -7.23 -0.48 -0.56 120.40 110.82 2k3k s VAL 54 Ca 0.03 0.06 -0.07 0.00 -1.81 0.00 0.00 61.98 60.19 2k3k s VAL 54 Cb -0.08 -0.09 -0.04 0.00 0.56 0.00 0.00 36.38 36.73 2k3k s VAL 54 CO 0.01 0.06 0.16 -0.63 -0.31 0.00 0.00 175.10 174.39 2k3k s ILE 55 N 0.46 5.47 0.41 -0.62 1.09 0.23 -1.14 121.20 127.10 2k3k s ILE 55 Ca -0.04 0.24 0.07 0.00 -1.10 0.00 0.00 60.65 59.82 2k3k s ILE 55 Cb -0.06 -3.43 -0.07 0.00 -1.06 0.00 0.00 42.46 37.84 2k3k s ILE 55 CO -0.01 0.60 0.07 -0.36 -0.10 0.00 0.00 174.94 175.15 2k3k s PHE 56 N -1.05 2.54 0.22 3.97 0.40 -0.07 -0.25 117.98 123.74 2k3k s PHE 56 Ca 0.16 -0.64 -0.09 0.00 -0.60 0.00 0.00 56.93 55.76 2k3k s PHE 56 Cb -0.12 -1.85 0.32 0.00 0.51 0.00 0.00 43.02 41.88 2k3k s PHE 56 CO 0.05 0.35 1.72 -0.22 0.70 0.00 0.00 175.22 177.82 2k3k h LYS 57 N 1.64 0.32 -3.23 0.44 3.64 -1.48 -3.42 116.57 114.48 2k3k h LYS 57 Ca -0.44 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.90 2k3k h LYS 57 Cb 1.25 -0.07 -0.11 0.00 -0.41 0.00 0.00 32.23 32.88 2k3k h LYS 57 CO 0.77 0.21 0.06 -2.00 -2.27 0.00 0.00 179.45 176.22 2k3k s GLU 58 N -6.09 1.31 0.37 1.90 -6.30 -1.26 -5.03 118.70 103.60 2k3k s GLU 58 Ca -0.13 -0.74 0.07 0.00 -2.50 0.00 0.00 54.97 51.67 2k3k s GLU 58 Cb 0.18 0.53 0.73 0.00 0.00 0.00 0.00 34.13 35.58 2k3k s GLU 58 CO 0.74 -0.56 1.93 -0.84 0.02 0.00 0.00 175.26 176.56 2k3k h ILE 59 N 2.17 1.17 -0.20 -3.70 3.07 -1.89 0.47 117.51 118.60 2k3k h ILE 59 Ca -0.31 -0.65 -0.19 0.00 1.55 0.00 0.00 64.86 65.26 2k3k h ILE 59 Cb 1.27 0.96 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 2k3k h ILE 59 CO 0.39 0.22 -0.64 1.23 -1.05 0.00 0.00 178.15 178.30 2k3k h GLY 60 N 0.72 0.79 0.95 0.16 0.00 -1.97 -1.15 103.07 102.56 2k3k h GLY 60 Ca 0.09 -1.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 2k3k h GLY 60 CO 0.01 0.89 0.09 1.76 0.00 0.00 0.00 176.54 179.29 2k3k h SER 61 N 0.52 0.66 -0.32 0.19 0.02 -1.74 -0.54 113.55 112.35 2k3k h SER 61 Ca -0.01 -0.24 0.03 0.00 -0.84 0.00 0.00 61.79 60.72 2k3k h SER 61 Cb 1.24 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.58 2k3k h SER 61 CO 0.13 0.73 0.14 0.00 -1.14 0.00 0.00 176.83 176.69 2k3k h ALA 62 N 0.95 0.38 -0.45 3.77 0.00 -0.90 -1.11 119.26 121.89 2k3k h ALA 62 Ca 0.13 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k3k h ALA 62 Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2k3k h ALA 62 CO 0.00 -0.25 0.29 0.77 0.00 0.00 0.00 179.25 180.07 2k3k h SER 63 N 0.30 0.49 -0.22 0.00 0.02 -0.87 -0.05 113.55 113.22 2k3k h SER 63 Ca 0.13 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2k3k h SER 63 Cb 0.07 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2k3k h SER 63 CO -0.11 0.35 0.11 -1.13 -1.14 0.00 0.00 176.83 174.91 2k3k h ASN 64 N 0.59 0.29 0.13 3.07 -1.24 -0.83 -0.76 115.58 116.83 2k3k h ASN 64 Ca 0.17 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.06 2k3k h ASN 64 Cb -0.04 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 38.92 2k3k h ASN 64 CO -0.05 0.34 -0.11 0.00 -1.29 0.00 0.00 177.43 176.31 2k3k h ALA 65 N 0.97 -0.23 0.18 1.57 0.00 -1.01 -1.23 119.26 119.52 2k3k h ALA 65 Ca 0.08 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.97 2k3k h ALA 65 Cb 0.12 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 2k3k h ALA 65 CO -0.01 -0.64 -0.43 1.25 0.00 0.00 0.00 179.25 179.42 2k3k h LEU 66 N -0.26 -1.24 -0.76 0.00 6.46 -0.84 0.03 115.31 118.70 2k3k h LEU 66 Ca 0.00 0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.78 2k3k h LEU 66 Cb 0.24 0.46 -0.01 0.00 -0.73 0.00 0.00 40.66 40.61 2k3k h LEU 66 CO -0.02 -0.51 -0.26 0.03 -0.62 0.00 0.00 178.44 177.05 2k3k h ARG 67 N -0.70 0.65 -0.12 1.25 3.08 -1.08 -0.54 114.38 116.91 2k3k h ARG 67 Ca 0.01 -0.27 -0.18 0.00 0.07 0.00 0.00 59.98 59.61 2k3k h ARG 67 Cb 0.70 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.73 2k3k h ARG 67 CO -0.21 0.85 -0.61 1.15 -1.07 0.00 0.00 179.97 180.08 2k3k h THR 68 N 0.57 1.33 0.00 2.04 2.02 -1.06 -3.30 112.91 114.51 2k3k h THR 68 Ca 0.08 -1.88 0.00 0.00 0.77 0.00 0.00 66.41 65.38 2k3k h THR 68 Cb 0.74 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2k3k h THR 68 CO 0.06 0.58 -0.31 0.23 0.37 0.00 0.00 175.52 176.45 2k3k n MET 69 N -4.12 0.16 -1.67 6.66 2.81 -0.02 -4.68 117.12 116.27 2k3k n MET 69 Ca -0.08 0.08 -0.50 0.00 -1.81 0.00 0.00 57.70 55.40 2k3k n MET 69 Cb 0.66 -1.64 -0.05 0.00 -0.71 0.00 0.00 33.22 31.47 2k3k n MET 69 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2k3k n GLN 70 N -1.90 1.84 -0.66 0.03 1.13 -0.22 -1.22 117.38 116.39 2k3k n GLN 70 Ca 0.05 0.67 0.00 0.00 -1.94 0.00 0.00 57.00 55.78 2k3k n GLN 70 Cb 0.40 -2.43 0.00 0.00 0.11 0.00 0.00 30.24 28.31 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k3k n GLY 71 N 3.73 1.32 3.75 1.08 0.00 -0.09 -4.96 105.19 110.01 2k3k n GLY 71 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 2k3k n GLY 71 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3k s PHE 72 N -3.27 3.28 -1.24 1.61 5.36 -0.35 -4.39 117.98 118.97 2k3k s PHE 72 Ca 0.00 1.37 -0.20 0.00 -0.96 0.00 0.00 56.93 57.15 2k3k s PHE 72 Cb 0.00 -3.55 -0.00 0.00 -0.34 0.00 0.00 43.02 39.13 2k3k s PHE 72 CO 0.00 -1.57 1.85 -0.35 -1.46 0.00 0.00 175.22 173.69 2k3k n PRO 73 N 1.94 2.51 -0.30 10.12 -0.04 -1.26 -0.98 135.00 146.99 2k3k n PRO 73 Ca 0.03 -2.87 0.06 0.00 -0.04 0.00 0.00 63.50 60.68 2k3k n PRO 73 Cb 0.43 -3.54 0.27 0.00 -0.04 0.00 0.00 33.50 30.62 2k3k n PRO 73 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k3k h PHE 74 N 8.27 1.00 -0.74 0.54 3.57 -1.92 -3.45 116.94 124.21 2k3k h PHE 74 Ca 0.37 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.90 2k3k h PHE 74 Cb 0.87 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.28 2k3k h PHE 74 CO 1.34 0.49 0.00 0.66 -2.23 0.00 0.00 178.31 178.57 2k3k n TYR 75 N -4.51 0.00 0.34 0.41 4.01 -1.26 -5.01 117.16 111.14 2k3k n TYR 75 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 2k3k n TYR 75 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 2k3k n TYR 75 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 2k3k n ASP 76 N 0.00 0.47 -3.89 7.72 2.03 -1.26 -4.53 116.55 117.09 2k3k n ASP 76 Ca 0.00 -0.69 -0.14 0.00 0.52 0.00 0.00 54.79 54.48 2k3k n ASP 76 Cb 0.00 -0.17 -0.15 0.00 -0.72 0.00 0.00 41.12 40.08 2k3k n ASP 76 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2k3k s LYS 77 N -0.71 0.17 0.16 -0.67 1.02 -1.26 -5.08 119.74 113.37 2k3k s LYS 77 Ca 0.00 -0.04 -0.30 0.00 0.02 0.00 0.00 55.97 55.65 2k3k s LYS 77 Cb 0.00 -0.20 -0.08 0.00 -0.52 0.00 0.00 37.83 37.03 2k3k s LYS 77 CO 0.00 0.01 1.32 -1.25 -0.92 0.00 0.00 175.35 174.51 2k3k s PRO 78 N 0.15 4.37 0.60 -1.68 0.04 -1.26 -3.67 135.00 133.55 2k3k s PRO 78 Ca -0.01 2.03 -0.19 0.00 0.04 0.00 0.00 61.00 62.88 2k3k s PRO 78 Cb -0.03 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2k3k s PRO 78 CO -0.00 -0.31 1.22 -1.64 0.04 0.00 0.00 177.00 176.31 2k3k s MET 79 N 0.36 2.90 -0.06 4.56 -1.94 -0.16 -4.83 119.30 120.13 2k3k s MET 79 Ca 0.59 1.85 0.03 0.00 -1.71 0.00 0.00 55.69 56.46 2k3k s MET 79 Cb -0.36 -1.92 0.00 0.00 2.01 0.00 0.00 34.83 34.57 2k3k s MET 79 CO 0.35 -1.27 -0.16 -0.65 -0.01 0.00 0.00 175.02 173.28 2k3k s GLN 80 N -3.35 1.96 -0.02 2.03 -0.21 -0.69 -0.91 119.66 118.47 2k3k s GLN 80 Ca 0.78 -0.57 -0.05 0.00 0.02 0.00 0.00 55.36 55.54 2k3k s GLN 80 Cb -0.31 -1.61 0.01 0.00 1.00 0.00 0.00 33.01 32.09 2k3k s GLN 80 CO 0.34 0.13 0.12 0.42 -2.12 0.00 0.00 175.29 174.19 2k3k s ILE 81 N 0.37 0.04 0.28 1.08 1.01 -1.26 -0.24 121.20 122.49 2k3k s ILE 81 Ca -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 2k3k s ILE 81 Cb -0.15 -0.29 -0.02 0.00 0.01 0.00 0.00 42.46 42.01 2k3k s ILE 81 CO 0.04 -0.19 0.31 0.00 0.00 0.00 0.00 174.94 175.10 2k3k s ALA 82 N -0.62 1.06 0.50 9.38 0.00 -0.59 -4.97 121.76 126.51 2k3k s ALA 82 Ca -0.07 -1.64 -0.20 0.00 0.00 0.00 0.00 51.96 50.05 2k3k s ALA 82 Cb -0.04 1.31 -0.08 0.00 0.00 0.00 0.00 23.12 24.31 2k3k s ALA 82 CO 0.01 -0.70 1.04 1.52 0.00 0.00 0.00 175.76 177.62 2k3k s TYR 83 N -3.65 3.01 0.47 0.00 1.13 -1.26 -0.44 117.35 116.61 2k3k s TYR 83 Ca 0.35 1.57 -0.24 0.00 -1.41 0.00 0.00 57.07 57.33 2k3k s TYR 83 Cb 0.03 -3.05 -0.07 0.00 -1.10 0.00 0.00 41.96 37.77 2k3k s TYR 83 CO 0.18 -0.83 1.40 -1.12 -2.51 0.00 0.00 175.55 172.67 2k3k s SER 84 N -2.09 5.74 0.23 -0.18 0.01 -0.82 -4.54 113.70 112.05 2k3k s SER 84 Ca 0.67 2.85 -0.05 0.00 1.31 0.00 0.00 55.95 60.73 2k3k s SER 84 Cb -0.16 -2.65 -0.02 0.00 0.21 0.00 0.00 66.02 63.40 2k3k s SER 84 CO 0.22 -1.26 0.29 -0.54 0.41 0.00 0.00 173.24 172.36 2k3k s LYS 85 N -2.56 1.39 0.52 12.44 1.02 -1.26 -5.01 119.74 126.27 2k3k s LYS 85 Ca 0.64 -1.51 -0.21 0.00 0.02 0.00 0.00 55.97 54.91 2k3k s LYS 85 Cb -0.42 0.36 -0.07 0.00 -0.52 0.00 0.00 37.83 37.17 2k3k s LYS 85 CO 0.53 -0.52 1.02 0.43 -0.92 0.00 0.00 175.35 175.90 2k3k n SER 86 N -0.42 1.19 -3.75 2.83 7.64 -1.26 -5.04 113.62 114.82 2k3k n SER 86 Ca 0.01 0.92 -0.13 0.00 1.01 0.00 0.00 58.87 60.67 2k3k n SER 86 Cb 0.64 -1.40 -0.09 0.00 -1.01 0.00 0.00 64.21 62.36 2k3k n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k3k s ASP 87 N -0.97 -0.25 0.44 6.43 2.15 -1.26 -5.06 116.67 118.15 2k3k s ASP 87 Ca 0.69 0.24 0.19 0.00 0.43 0.00 0.00 52.55 54.10 2k3k s ASP 87 Cb -0.47 0.40 1.14 0.00 -0.30 0.00 0.00 42.92 43.70 2k3k s ASP 87 CO 0.52 -0.40 1.89 0.28 -0.17 0.00 0.00 175.17 177.29 2k3k h SER 88 N 4.13 0.32 -0.02 -0.34 0.02 -1.98 -0.06 113.55 115.62 2k3k h SER 88 Ca -0.29 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.68 2k3k h SER 88 Cb 1.18 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 2k3k h SER 88 CO 0.38 0.14 -0.03 -0.78 -1.14 0.00 0.00 176.83 175.40 2k3k h ASP 89 N 0.33 0.06 0.28 3.07 3.58 -1.97 -0.53 116.42 121.24 2k3k h ASP 89 Ca 0.41 -0.50 -0.14 0.00 0.42 0.00 0.00 57.03 57.22 2k3k h ASP 89 Cb 1.11 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.13 2k3k h ASP 89 CO -0.12 0.55 -0.57 0.16 -2.88 0.00 0.00 179.24 176.38 2k3k h ILE 90 N -0.42 1.36 -0.32 2.25 3.07 -1.86 -1.07 117.51 120.52 2k3k h ILE 90 Ca 0.00 -1.88 -0.02 0.00 1.55 0.00 0.00 64.86 64.51 2k3k h ILE 90 Cb 0.53 1.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.98 2k3k h ILE 90 CO 0.01 0.56 0.13 0.58 -1.05 0.00 0.00 178.15 178.38 2k3k h VAL 91 N 0.23 1.18 -0.30 0.16 2.07 -1.03 -1.43 116.25 117.13 2k3k h VAL 91 Ca -0.00 -0.55 0.03 0.00 0.82 0.00 0.00 66.70 67.00 2k3k h VAL 91 Cb 1.07 0.95 -0.03 0.00 -1.52 0.00 0.00 31.29 31.76 2k3k h VAL 91 CO 0.09 0.19 0.13 0.00 0.02 0.00 0.00 177.57 178.00 2k3k h ALA 92 N 0.97 0.36 -0.24 1.67 0.00 -0.82 -0.98 119.26 120.23 2k3k h ALA 92 Ca 0.11 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2k3k h ALA 92 Cb 0.18 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.89 2k3k h ALA 92 CO -0.01 -0.26 -0.14 0.87 0.00 0.00 0.00 179.25 179.71 2k3k h LYS 93 N 0.28 -0.12 -0.05 0.00 1.57 -0.88 0.30 116.57 117.67 2k3k h LYS 93 Ca 0.13 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 58.80 2k3k h LYS 93 Cb 0.07 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2k3k h LYS 93 CO -0.11 -0.08 -0.51 -0.84 -0.57 0.00 0.00 179.45 177.34 2k3k h ILE 94 N -0.12 1.36 -0.23 1.86 3.07 -1.05 -1.57 117.51 120.83 2k3k h ILE 94 Ca 0.13 -1.77 -0.16 0.00 1.55 0.00 0.00 64.86 64.61 2k3k h ILE 94 Cb 0.32 1.89 0.00 0.00 -0.27 0.00 0.00 36.82 38.76 2k3k h ILE 94 CO -0.31 0.52 -0.47 0.11 -1.05 0.00 0.00 178.15 176.94 2k3k h LYS 95 N 0.11 0.72 0.00 0.16 1.79 -0.52 -3.44 116.57 115.39 2k3k h LYS 95 Ca 0.00 -0.47 0.00 0.00 -2.18 0.00 0.00 60.65 58.00 2k3k h LYS 95 Cb 0.95 0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.66 2k3k h LYS 95 CO 0.07 1.10 0.00 0.41 -1.08 0.00 0.00 179.45 179.95 2k3k n GLY 96 N 0.42 0.00 0.79 3.86 0.00 0.04 -5.09 105.19 105.21 2k3k n GLY 96 Ca -0.05 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2k3k n GLY 96 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3k n THR 97 N 0.00 -0.46 -0.21 2.61 -1.04 -0.60 -3.40 114.28 111.19 2k3k n THR 97 Ca 0.00 0.50 0.26 0.00 -2.04 0.00 0.00 64.05 62.77 2k3k n THR 97 Cb 0.00 -0.76 0.66 0.00 -1.82 0.00 0.00 70.33 68.41 2k3k n THR 97 CO 0.00 0.00 0.00 2.19 -0.64 0.00 0.00 175.07 176.62 2k3k h PHE 98 N -0.78 0.17 -3.68 -1.42 -5.15 -1.82 -3.27 116.94 100.99 2k3k h PHE 98 Ca -0.10 0.01 -0.24 0.00 -0.20 0.00 0.00 57.97 57.43 2k3k h PHE 98 Cb 0.76 -0.05 -0.29 0.00 0.22 0.00 0.00 35.95 36.59 2k3k h PHE 98 CO 0.02 0.03 -0.72 0.15 -2.00 0.00 0.00 178.31 175.80 2k3k s LYS 99 N -5.11 -0.01 0.23 6.09 -0.14 -1.26 -4.77 119.74 114.77 2k3k s LYS 99 Ca -0.06 0.04 0.04 0.00 -1.36 0.00 0.00 55.97 54.64 2k3k s LYS 99 Cb 0.22 -0.05 0.24 0.00 -1.68 0.00 0.00 37.83 36.56 2k3k s LYS 99 CO 0.78 -0.04 1.55 1.49 -0.76 0.00 0.00 175.35 178.38 2k3k h GLU 100 N 6.39 0.23 -7.13 1.68 4.57 -1.72 -3.44 114.58 115.16 2k3k h GLU 100 Ca -0.29 -0.16 -0.54 0.00 -1.18 0.00 0.00 59.36 57.19 2k3k h GLU 100 Cb 1.19 0.03 0.14 0.00 -0.16 0.00 0.00 28.75 29.95 2k3k h GLU 100 CO 0.50 0.77 0.47 1.03 -1.18 0.00 0.00 179.01 180.60 2k3k s ARG 101 N -3.74 2.54 0.35 1.92 0.52 -1.26 -4.93 118.95 114.35 2k3k s ARG 101 Ca -0.04 1.91 0.09 0.00 -0.52 0.00 0.00 55.73 57.17 2k3k s ARG 101 Cb 0.12 -1.86 0.82 0.00 0.52 0.00 0.00 34.95 34.54 2k3k s ARG 101 CO 0.80 -1.56 1.84 -1.35 0.02 0.00 0.00 175.30 175.04 2k3k h PRO 102 N 0.38 0.67 -3.10 3.54 0.11 -2.02 -3.44 132.00 128.15 2k3k h PRO 102 Ca -0.50 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.57 2k3k h PRO 102 Cb 1.31 -0.15 -0.10 0.00 0.11 0.00 0.00 31.00 32.17 2k3k h PRO 102 CO 0.53 0.44 0.15 -1.59 -0.21 0.00 0.00 178.00 177.32 2k3k s LYS 103 N -5.71 1.41 0.00 1.05 -2.85 -1.26 -5.06 119.74 107.33 2k3k s LYS 103 Ca -0.10 -0.70 0.04 0.00 -1.00 0.00 0.00 55.97 54.20 2k3k s LYS 103 Cb 0.23 0.57 0.23 0.00 -2.06 0.00 0.00 37.83 36.80 2k3k s LYS 103 CO 0.79 -0.62 0.71 1.63 0.10 0.00 0.00 175.35 177.96