#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k h GLU 2 N 0.00 0.21 -6.73 0.03 5.08 -2.02 -3.41 114.58 107.75 2k3k h GLU 2 Ca 0.00 -0.03 -0.51 0.00 -1.00 0.00 0.00 59.36 57.83 2k3k h GLU 2 Cb 0.00 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2k3k h GLU 2 CO 0.00 0.24 0.45 -1.64 -1.00 0.00 0.00 179.01 177.05 2k3k s MET 3 N -5.80 4.66 0.33 2.33 -1.94 -1.26 -5.03 119.30 112.58 2k3k s MET 3 Ca -0.13 1.70 -0.29 0.00 -1.71 0.00 0.00 55.69 55.25 2k3k s MET 3 Cb 0.07 -3.25 -0.11 0.00 2.01 0.00 0.00 34.83 33.55 2k3k s MET 3 CO 0.69 0.21 1.51 -0.48 -0.01 0.00 0.00 175.02 176.94 2k3k s LEU 4 N -0.91 4.34 0.45 -0.03 2.34 -1.26 -4.97 118.68 118.64 2k3k s LEU 4 Ca 0.46 2.94 -0.24 0.00 0.06 0.00 0.00 54.13 57.35 2k3k s LEU 4 Cb -0.29 -3.65 -0.09 0.00 -0.56 0.00 0.00 46.19 41.59 2k3k s LEU 4 CO 0.36 -0.84 1.09 -2.65 -1.06 0.00 0.00 176.35 173.25 2k3k n PRO 5 N 1.35 1.46 -3.58 1.48 -0.02 -1.26 -4.90 135.00 129.54 2k3k n PRO 5 Ca 0.04 0.53 -0.16 0.00 -2.02 0.00 0.00 63.50 61.89 2k3k n PRO 5 Cb 0.39 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.63 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 -0.76 -0.50 0.15 2.55 2.47 -1.26 -5.05 114.94 112.54 2k3k s ASN 6 Ca 0.65 0.40 0.19 0.00 0.42 0.00 0.00 52.86 54.52 2k3k s ASN 6 Cb -0.52 0.49 0.81 0.00 -1.45 0.00 0.00 41.25 40.58 2k3k s ASN 6 CO 0.55 -0.63 1.58 1.67 -3.72 0.00 0.00 177.10 176.55 2k3k n GLN 7 N 0.76 0.11 -4.17 0.43 7.27 -1.26 -4.55 117.38 115.96 2k3k n GLN 7 Ca -0.19 0.38 -0.12 0.00 0.07 0.00 0.00 57.00 57.13 2k3k n GLN 7 Cb 0.58 -1.72 -0.10 0.00 2.41 0.00 0.00 30.24 31.41 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 -3.20 0.82 0.26 1.69 2.01 -1.26 -0.94 115.64 115.02 2k3k s THR 8 Ca 0.05 -1.77 0.02 0.00 0.31 0.00 0.00 61.69 60.29 2k3k s THR 8 Cb 0.09 -1.50 -0.05 0.00 0.01 0.00 0.00 72.50 71.05 2k3k s THR 8 CO 0.31 -0.71 0.07 0.27 -0.69 0.00 0.00 174.62 173.87 2k3k s ILE 9 N -2.99 0.74 -0.03 1.82 -4.36 -0.41 -3.75 121.20 112.23 2k3k s ILE 9 Ca 0.08 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.51 2k3k s ILE 9 Cb 0.01 -2.60 -0.00 0.00 1.25 0.00 0.00 42.46 41.11 2k3k s ILE 9 CO -0.02 -0.07 -0.14 -0.47 0.24 0.00 0.00 174.94 174.48 2k3k s TYR 10 N -3.62 1.39 0.05 1.37 5.04 0.14 -2.61 117.35 119.10 2k3k s TYR 10 Ca 0.36 -0.35 0.07 0.00 -2.44 0.00 0.00 57.07 54.71 2k3k s TYR 10 Cb 0.08 -0.93 -0.03 0.00 0.35 0.00 0.00 41.96 41.43 2k3k s TYR 10 CO 0.13 -0.10 -0.21 0.42 -1.34 0.00 0.00 175.55 174.45 2k3k s ILE 11 N -0.03 1.66 0.23 3.14 1.01 0.19 -1.44 121.20 125.96 2k3k s ILE 11 Ca -0.01 -1.23 -0.12 0.00 0.00 0.00 0.00 60.65 59.30 2k3k s ILE 11 Cb -0.09 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 2k3k s ILE 11 CO 0.01 0.18 0.44 0.21 0.00 0.00 0.00 174.94 175.77 2k3k s ASN 12 N -1.25 -0.07 -1.10 3.58 3.84 0.58 -1.96 114.94 118.57 2k3k s ASN 12 Ca 0.07 -0.94 0.00 0.00 0.21 0.00 0.00 52.86 52.20 2k3k s ASN 12 Cb -0.09 0.56 0.00 0.00 -0.55 0.00 0.00 41.25 41.17 2k3k s ASN 12 CO 0.02 -1.09 0.00 -3.20 -2.79 0.00 0.00 177.10 170.04 2k3k n ASN 13 N -0.36 -3.57 -4.77 -4.21 5.15 -1.12 -1.46 115.26 104.91 2k3k n ASN 13 Ca -0.02 0.24 -0.40 0.00 -0.60 0.00 0.00 54.58 53.79 2k3k n ASN 13 Cb 0.62 -3.15 -0.02 0.00 -0.53 0.00 0.00 39.78 36.71 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 -4.92 4.38 -0.34 1.20 0.20 -0.82 -4.57 118.68 113.80 2k3k s LEU 14 Ca 0.00 2.70 -0.28 0.00 0.69 0.00 0.00 54.13 57.24 2k3k s LEU 14 Cb 0.00 -3.70 -0.02 0.00 -0.43 0.00 0.00 46.19 42.05 2k3k s LEU 14 CO 0.00 -0.61 1.80 0.21 -0.29 0.00 0.00 176.35 177.46 2k3k s ASN 15 N -0.51 5.86 0.36 3.68 3.84 -1.26 -4.38 114.94 122.52 2k3k s ASN 15 Ca 0.50 1.25 0.26 0.00 0.21 0.00 0.00 52.86 55.09 2k3k s ASN 15 Cb -0.40 -2.53 1.29 0.00 -0.55 0.00 0.00 41.25 39.07 2k3k s ASN 15 CO 0.53 -1.74 1.79 1.05 -2.79 0.00 0.00 177.10 175.93 2k3k h GLU 16 N 12.99 0.00 0.00 0.43 9.09 -1.92 -2.23 114.58 132.94 2k3k h GLU 16 Ca -0.33 0.00 -0.02 0.00 0.05 0.00 0.00 59.36 59.06 2k3k h GLU 16 Cb 1.17 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2k3k h GLU 16 CO 1.04 0.00 -0.08 1.57 0.05 0.00 0.00 179.01 181.59 2k3k h LYS 17 N 0.00 0.00 -6.33 1.06 5.09 -1.89 -3.43 116.57 111.07 2k3k h LYS 17 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 60.65 60.19 2k3k h LYS 17 Cb 0.15 0.00 0.02 0.00 0.10 0.00 0.00 32.23 32.50 2k3k h LYS 17 CO 0.00 0.08 1.23 -0.89 -2.09 0.00 0.00 179.45 177.78 2k3k n ILE 18 N -4.34 0.73 -1.24 0.07 2.08 -0.84 -4.97 119.36 110.84 2k3k n ILE 18 Ca -0.03 -0.15 -0.33 0.00 0.56 0.00 0.00 62.75 62.80 2k3k n ILE 18 Cb 0.16 -2.27 0.11 0.00 -0.75 0.00 0.00 39.64 36.89 2k3k n ILE 18 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2k3k s LYS 19 N 4.51 1.90 0.24 0.38 2.20 -1.26 -4.77 119.74 122.93 2k3k s LYS 19 Ca 0.90 1.62 -0.05 0.00 -0.36 0.00 0.00 55.97 58.09 2k3k s LYS 19 Cb -0.47 -1.82 0.42 0.00 -1.51 0.00 0.00 37.83 34.45 2k3k s LYS 19 CO 0.43 -1.99 1.76 -0.22 -0.36 0.00 0.00 175.35 174.97 2k3k h LYS 20 N -0.77 0.55 -0.49 4.03 3.11 -1.93 0.11 116.57 121.17 2k3k h LYS 20 Ca -0.46 -0.03 -0.03 0.00 -2.81 0.00 0.00 60.65 57.32 2k3k h LYS 20 Cb 1.28 -0.12 -0.02 0.00 -1.00 0.00 0.00 32.23 32.36 2k3k h LYS 20 CO 0.48 0.36 0.19 1.49 -2.81 0.00 0.00 179.45 179.16 2k3k h GLU 21 N 0.57 0.74 -0.50 1.90 4.81 -1.97 -1.17 114.58 118.97 2k3k h GLU 21 Ca 0.39 -0.14 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 2k3k h GLU 21 Cb 0.50 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2k3k h GLU 21 CO -0.33 0.67 -0.06 0.93 -0.73 0.00 0.00 179.01 179.49 2k3k h GLU 22 N 0.66 0.88 -0.13 1.92 5.08 -1.62 -1.31 114.58 120.05 2k3k h GLU 22 Ca 0.16 -0.28 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2k3k h GLU 22 Cb 0.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2k3k h GLU 22 CO -0.01 0.92 0.02 1.25 -1.00 0.00 0.00 179.01 180.19 2k3k h LEU 23 N 0.80 -0.00 -0.11 1.33 7.12 -0.60 0.11 115.31 123.96 2k3k h LEU 23 Ca 0.14 0.02 0.01 0.00 0.13 0.00 0.00 57.88 58.19 2k3k h LEU 23 Cb 0.56 0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.71 2k3k h LEU 23 CO 0.03 0.02 0.02 0.11 -0.13 0.00 0.00 178.44 178.49 2k3k h LYS 24 N 0.07 0.06 -0.53 1.25 1.57 -0.88 -0.95 116.57 117.16 2k3k h LYS 24 Ca 0.06 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2k3k h LYS 24 Cb 0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 2k3k h LYS 24 CO -0.08 0.04 0.34 0.87 -0.57 0.00 0.00 179.45 180.05 2k3k h LYS 25 N 0.06 0.71 -0.25 3.15 1.57 -1.01 -1.30 116.57 119.51 2k3k h LYS 25 Ca 0.05 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2k3k h LYS 25 Cb 0.04 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2k3k h LYS 25 CO -0.07 0.49 0.06 0.77 -0.57 0.00 0.00 179.45 180.13 2k3k h SER 26 N 0.72 0.37 0.06 0.86 0.02 -0.47 0.19 113.55 115.30 2k3k h SER 26 Ca 0.19 -0.23 0.02 0.00 -0.84 0.00 0.00 61.79 60.93 2k3k h SER 26 Cb -0.05 -0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.36 2k3k h SER 26 CO -0.04 0.51 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.93 2k3k h LEU 27 N 0.22 -0.46 -1.39 5.07 3.38 -1.07 -1.50 115.31 119.55 2k3k h LEU 27 Ca 0.08 0.06 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2k3k h LEU 27 Cb 0.28 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2k3k h LEU 27 CO 0.00 -0.23 -0.29 0.22 0.09 0.00 0.00 178.44 178.23 2k3k h TYR 28 N -0.30 0.00 -0.41 1.13 3.20 -1.01 0.42 116.97 120.00 2k3k h TYR 28 Ca 0.03 0.00 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2k3k h TYR 28 Cb 0.34 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2k3k h TYR 28 CO -0.19 0.29 -0.19 0.00 -1.64 0.00 0.00 178.16 176.43 2k3k h ALA 29 N 1.71 0.57 0.00 1.82 0.00 -0.08 -3.38 119.26 119.90 2k3k h ALA 29 Ca -0.00 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2k3k h ALA 29 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2k3k h ALA 29 CO 0.04 0.53 -0.67 0.44 0.00 0.00 0.00 179.25 179.58 2k3k n ILE 30 N -4.23 0.00 -0.26 0.00 -5.35 -0.62 -4.71 119.36 104.19 2k3k n ILE 30 Ca -0.01 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.42 2k3k n ILE 30 Cb 0.43 -0.38 0.10 0.00 -1.74 0.00 0.00 39.64 38.05 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 1.14 0.00 4.28 -1.00 -1.08 -2.57 116.94 117.71 2k3k h PHE 31 Ca 0.00 -0.08 0.00 0.00 2.81 0.00 0.00 57.97 60.70 2k3k h PHE 31 Cb 0.67 -0.35 0.00 0.00 3.61 0.00 0.00 35.95 39.89 2k3k h PHE 31 CO 0.00 0.86 0.05 0.77 -1.61 0.00 0.00 178.31 178.38 2k3k h SER 32 N 1.10 0.00 0.40 2.17 0.02 -1.59 0.03 113.55 115.68 2k3k h SER 32 Ca 0.26 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 2k3k h SER 32 Cb 0.19 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.73 2k3k h SER 32 CO -0.02 0.00 -0.26 1.56 -1.14 0.00 0.00 176.83 176.96 2k3k h GLN 33 N 0.00 0.00 0.00 3.45 4.20 -1.74 -3.27 115.11 117.75 2k3k h GLN 33 Ca 0.00 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 2k3k h GLN 33 Cb 0.11 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.88 2k3k h GLN 33 CO 0.00 0.26 -1.25 1.19 -0.67 0.00 0.00 178.83 178.36 2k3k n PHE 34 N -3.93 0.00 -3.29 2.96 3.72 -0.11 -4.91 117.46 111.90 2k3k n PHE 34 Ca -0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.35 2k3k n PHE 34 Cb 0.34 -0.15 -0.05 0.00 -0.94 0.00 0.00 39.48 38.68 2k3k n PHE 34 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 176.76 176.91 2k3k s GLY 35 N -2.88 -0.65 -0.09 1.37 0.00 -0.56 -3.74 107.32 100.78 2k3k s GLY 35 Ca -0.02 1.34 -0.32 0.00 0.00 0.00 0.00 44.72 45.72 2k3k s GLY 35 CO 0.20 2.94 1.97 -0.18 0.00 0.00 0.00 173.10 178.03 2k3k n GLN 36 N 5.39 2.28 -1.51 2.90 -0.06 -1.23 -3.70 117.38 121.45 2k3k n GLN 36 Ca -0.03 0.81 -0.33 0.00 -2.00 0.00 0.00 57.00 55.45 2k3k n GLN 36 Cb 0.50 -2.80 0.08 0.00 -4.06 0.00 0.00 30.24 23.96 2k3k n GLN 36 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2k3k s ILE 37 N 4.87 2.82 0.00 1.69 1.01 -1.26 -2.14 121.20 128.20 2k3k s ILE 37 Ca 0.94 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2k3k s ILE 37 Cb -0.59 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.01 2k3k s ILE 37 CO 0.47 -0.25 0.00 -0.11 0.00 0.00 0.00 174.94 175.05 2k3k n LEU 38 N -2.76 2.14 -3.60 2.97 7.94 0.65 -4.56 117.00 119.78 2k3k n LEU 38 Ca 0.11 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.91 2k3k n LEU 38 Cb 0.51 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 2k3k n LEU 38 CO 0.48 0.36 0.29 -0.62 -1.11 0.00 0.00 177.39 176.78 2k3k s ASP 39 N -3.67 -0.35 0.01 1.96 2.15 -0.60 -4.98 116.67 111.20 2k3k s ASP 39 Ca 0.00 -0.28 0.00 0.00 0.43 0.00 0.00 52.55 52.71 2k3k s ASP 39 Cb 0.00 0.56 -0.01 0.00 -0.30 0.00 0.00 42.92 43.17 2k3k s ASP 39 CO 0.00 -0.97 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.38 2k3k s ILE 40 N -3.81 0.12 -0.16 4.11 1.01 -1.26 -0.47 121.20 120.73 2k3k s ILE 40 Ca 0.05 -0.38 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 2k3k s ILE 40 Cb -0.00 -0.17 0.05 0.00 0.01 0.00 0.00 42.46 42.35 2k3k s ILE 40 CO -0.09 -0.17 0.06 -0.69 0.00 0.00 0.00 174.94 174.05 2k3k s VAL 41 N -0.56 0.20 0.19 2.92 1.01 0.00 -4.98 120.40 119.18 2k3k s VAL 41 Ca -0.05 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.53 2k3k s VAL 41 Cb -0.04 -0.71 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2k3k s VAL 41 CO -0.00 -0.15 0.49 0.00 0.00 0.00 0.00 175.10 175.44 2k3k s ALA 42 N 2.01 -0.86 0.25 5.51 0.00 -1.26 -1.14 121.76 126.28 2k3k s ALA 42 Ca 0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 51.96 51.67 2k3k s ALA 42 Cb -0.16 0.84 -0.02 0.00 0.00 0.00 0.00 23.12 23.79 2k3k s ALA 42 CO -0.08 -0.78 0.32 -0.51 0.00 0.00 0.00 175.76 174.72 2k3k s LEU 43 N -2.88 0.90 0.50 0.00 1.43 -0.97 -4.98 118.68 112.68 2k3k s LEU 43 Ca 0.09 -1.29 0.29 0.00 -1.03 0.00 0.00 54.13 52.19 2k3k s LEU 43 Cb -0.00 1.06 1.19 0.00 0.03 0.00 0.00 46.19 48.47 2k3k s LEU 43 CO -0.03 -1.05 1.93 0.11 0.23 0.00 0.00 176.35 177.54 2k3k h LYS 44 N 2.36 0.00 -6.97 1.70 1.79 -1.99 -3.34 116.57 110.12 2k3k h LYS 44 Ca -0.30 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.63 2k3k h LYS 44 Cb 1.25 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 32.00 2k3k h LYS 44 CO 0.43 0.12 0.64 0.95 -1.08 0.00 0.00 179.45 180.51 2k3k s THR 45 N -3.74 2.39 0.25 -0.16 -4.23 -1.26 -4.83 115.64 104.07 2k3k s THR 45 Ca 0.00 0.35 -0.03 0.00 -1.18 0.00 0.00 61.69 60.83 2k3k s THR 45 Cb 0.10 -3.20 0.23 0.00 1.34 0.00 0.00 72.50 70.97 2k3k s THR 45 CO 0.59 0.04 1.74 0.25 -0.54 0.00 0.00 174.62 176.71 2k3k h LEU 46 N 2.43 0.38 -2.62 4.79 5.85 -1.97 -0.07 115.31 124.11 2k3k h LEU 46 Ca -0.50 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.32 2k3k h LEU 46 Cb 1.26 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.34 2k3k h LEU 46 CO 0.62 0.15 0.10 0.50 -0.34 0.00 0.00 178.44 179.46 2k3k h LYS 47 N 0.51 0.00 0.00 1.25 3.64 -1.94 -0.74 116.57 119.30 2k3k h LYS 47 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 2k3k h LYS 47 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2k3k h LYS 47 CO -0.39 0.00 -0.11 -1.33 -2.27 0.00 0.00 179.45 175.35 2k3k n MET 48 N -2.97 1.10 -0.09 1.90 2.81 -0.14 -4.15 117.12 115.57 2k3k n MET 48 Ca -0.03 -2.08 -0.13 0.00 -1.81 0.00 0.00 57.70 53.64 2k3k n MET 48 Cb 0.16 -1.21 -0.08 0.00 -0.71 0.00 0.00 33.22 31.38 2k3k n MET 48 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 2k3k n ARG 49 N -1.00 0.42 0.00 0.03 1.74 -0.38 -2.30 116.66 115.17 2k3k n ARG 49 Ca 0.11 0.11 0.14 0.00 -0.77 0.00 0.00 57.85 57.44 2k3k n ARG 49 Cb 0.62 -1.30 0.68 0.00 -1.02 0.00 0.00 32.46 31.43 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k3k n GLY 50 N 2.51 -1.30 3.06 -0.13 0.00 -0.62 -4.17 105.19 104.55 2k3k n GLY 50 Ca -0.32 -0.16 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2k3k n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k3k s GLN 51 N -2.70 0.51 0.29 1.61 -0.21 -1.26 -1.95 119.66 115.95 2k3k s GLN 51 Ca 0.24 -0.85 -0.18 0.00 0.02 0.00 0.00 55.36 54.58 2k3k s GLN 51 Cb 0.20 0.19 0.02 0.00 1.00 0.00 0.00 33.01 34.41 2k3k s GLN 51 CO 0.49 -0.10 0.68 0.00 -2.12 0.00 0.00 175.29 174.24 2k3k s ALA 52 N -2.64 -0.94 0.08 6.09 0.00 -0.83 -4.37 121.76 119.14 2k3k s ALA 52 Ca -0.05 -0.50 0.02 0.00 0.00 0.00 0.00 51.96 51.43 2k3k s ALA 52 Cb -0.01 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2k3k s ALA 52 CO -0.05 -1.00 -0.07 -0.06 0.00 0.00 0.00 175.76 174.58 2k3k s PHE 53 N -3.68 0.80 -0.17 0.00 0.40 -0.29 -0.64 117.98 114.39 2k3k s PHE 53 Ca 0.14 -0.76 -0.15 0.00 -0.60 0.00 0.00 56.93 55.56 2k3k s PHE 53 Cb -0.05 -0.47 0.05 0.00 0.51 0.00 0.00 43.02 43.06 2k3k s PHE 53 CO 0.08 -0.13 0.45 0.54 0.70 0.00 0.00 175.22 176.87 2k3k s VAL 54 N -2.78 -0.00 -0.04 -0.44 0.11 -1.07 -0.82 120.40 115.35 2k3k s VAL 54 Ca 0.03 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.12 2k3k s VAL 54 Cb -0.00 -0.64 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2k3k s VAL 54 CO -0.03 0.01 -0.09 -0.63 -3.33 0.00 0.00 175.10 171.03 2k3k s ILE 55 N 0.44 3.53 0.39 7.04 1.09 0.37 -1.29 121.20 132.78 2k3k s ILE 55 Ca -0.02 -0.63 0.04 0.00 -1.10 0.00 0.00 60.65 58.95 2k3k s ILE 55 Cb -0.04 -2.46 -0.05 0.00 -1.06 0.00 0.00 42.46 38.85 2k3k s ILE 55 CO -0.02 0.53 0.05 -0.36 -0.10 0.00 0.00 174.94 175.04 2k3k s PHE 56 N -0.85 2.09 -0.49 3.97 0.40 -0.12 -0.25 117.98 122.73 2k3k s PHE 56 Ca 0.14 -0.92 0.25 0.00 -0.60 0.00 0.00 56.93 55.80 2k3k s PHE 56 Cb -0.11 -1.46 0.69 0.00 0.51 0.00 0.00 43.02 42.65 2k3k s PHE 56 CO 0.03 0.13 1.72 0.87 0.70 0.00 0.00 175.22 178.67 2k3k h LYS 57 N 1.85 0.00 -2.65 0.44 1.57 -1.67 -3.41 116.57 112.69 2k3k h LYS 57 Ca -0.41 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.27 2k3k h LYS 57 Cb 1.26 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.36 2k3k h LYS 57 CO 0.72 0.00 -0.12 -2.00 -0.57 0.00 0.00 179.45 177.48 2k3k s GLU 58 N -3.23 0.76 0.38 3.15 2.12 -1.26 -5.05 118.70 115.56 2k3k s GLU 58 Ca 0.07 0.11 0.07 0.00 0.36 0.00 0.00 54.97 55.59 2k3k s GLU 58 Cb 0.09 0.35 0.77 0.00 0.26 0.00 0.00 34.13 35.59 2k3k s GLU 58 CO 0.60 -0.20 1.95 -0.84 -0.54 0.00 0.00 175.26 176.24 2k3k h ILE 59 N 3.73 1.15 -0.14 -3.70 3.07 -1.89 -0.81 117.51 118.92 2k3k h ILE 59 Ca -0.28 -0.57 -0.16 0.00 1.55 0.00 0.00 64.86 65.39 2k3k h ILE 59 Cb 1.17 0.91 -0.01 0.00 -0.27 0.00 0.00 36.82 38.62 2k3k h ILE 59 CO 0.36 0.20 -0.59 1.23 -1.05 0.00 0.00 178.15 178.29 2k3k h GLY 60 N 0.68 0.52 0.89 0.16 0.00 -1.97 -1.27 103.07 102.07 2k3k h GLY 60 Ca 0.09 -0.63 -0.08 0.00 0.00 0.00 0.00 47.33 46.72 2k3k h GLY 60 CO 0.00 0.56 -0.13 1.76 0.00 0.00 0.00 176.54 178.74 2k3k h SER 61 N 0.35 0.60 -0.31 0.19 0.02 -1.72 -0.30 113.55 112.38 2k3k h SER 61 Ca -0.00 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.60 2k3k h SER 61 Cb 1.13 -0.16 -0.05 0.00 0.14 0.00 0.00 62.40 63.46 2k3k h SER 61 CO 0.11 0.87 0.02 0.00 -1.14 0.00 0.00 176.83 176.68 2k3k h ALA 62 N 0.75 0.30 -0.78 3.77 0.00 -1.13 -0.95 119.26 121.21 2k3k h ALA 62 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2k3k h ALA 62 Cb 0.64 0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 2k3k h ALA 62 CO 0.04 -0.39 0.49 0.77 0.00 0.00 0.00 179.25 180.16 2k3k h SER 63 N 0.11 0.92 -0.34 0.00 0.02 -0.95 -0.05 113.55 113.26 2k3k h SER 63 Ca 0.15 -0.05 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 2k3k h SER 63 Cb 0.19 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 2k3k h SER 63 CO -0.24 0.69 -0.24 -1.13 -1.14 0.00 0.00 176.83 174.77 2k3k h ASN 64 N 1.06 0.80 -0.05 3.07 -1.24 -0.70 -1.02 115.58 117.49 2k3k h ASN 64 Ca 0.28 -0.44 0.02 0.00 0.71 0.00 0.00 56.30 56.88 2k3k h ASN 64 Cb -0.07 -0.22 -0.03 0.00 0.73 0.00 0.00 38.32 38.73 2k3k h ASN 64 CO -0.06 1.07 -0.10 0.00 -1.29 0.00 0.00 177.43 177.05 2k3k h ALA 65 N 0.76 -0.07 0.18 1.57 0.00 -0.96 -1.28 119.26 119.45 2k3k h ALA 65 Ca 0.06 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k3k h ALA 65 Cb 0.80 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2k3k h ALA 65 CO 0.07 -0.58 -0.45 1.25 0.00 0.00 0.00 179.25 179.54 2k3k h LEU 66 N -0.15 -1.31 -0.48 0.00 6.46 -0.80 -0.90 115.31 118.13 2k3k h LEU 66 Ca 0.06 0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.80 2k3k h LEU 66 Cb 0.22 0.48 -0.01 0.00 -0.73 0.00 0.00 40.66 40.63 2k3k h LEU 66 CO -0.14 -0.53 -0.41 -0.09 -0.62 0.00 0.00 178.44 176.66 2k3k h ARG 67 N -0.72 0.80 -0.65 1.25 2.43 -1.14 -1.15 114.38 115.20 2k3k h ARG 67 Ca 0.00 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.68 2k3k h ARG 67 Cb 0.72 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.26 2k3k h ARG 67 CO -0.22 1.06 0.13 1.15 -1.51 0.00 0.00 179.97 180.57 2k3k h THR 68 N 0.65 1.26 -0.00 0.20 2.02 -1.08 -3.15 112.91 112.81 2k3k h THR 68 Ca 0.05 -1.00 0.00 0.00 0.77 0.00 0.00 66.41 66.23 2k3k h THR 68 Cb 0.97 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 2k3k h THR 68 CO 0.09 0.37 -0.43 0.23 0.37 0.00 0.00 175.52 176.16 2k3k n MET 69 N -4.26 0.35 -1.67 6.66 2.81 -0.35 -4.73 117.12 115.93 2k3k n MET 69 Ca 0.04 -0.21 -0.48 0.00 -1.81 0.00 0.00 57.70 55.24 2k3k n MET 69 Cb 0.27 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.24 2k3k n MET 69 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2k3k n GLN 70 N -1.14 2.04 -0.78 0.03 -0.06 -0.45 -1.33 117.38 115.70 2k3k n GLN 70 Ca 0.08 0.74 0.00 0.00 -2.00 0.00 0.00 57.00 55.82 2k3k n GLN 70 Cb 0.34 -2.52 0.00 0.00 -4.06 0.00 0.00 30.24 24.00 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2k3k n GLY 71 N 3.73 0.51 3.75 1.69 0.00 -0.53 -4.96 105.19 109.38 2k3k n GLY 71 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.52 3.36 -1.22 1.61 5.36 -0.44 -4.31 117.98 119.81 2k3k s PHE 72 Ca 0.00 1.50 -0.20 0.00 -0.96 0.00 0.00 56.93 57.27 2k3k s PHE 72 Cb 0.00 -3.47 -0.02 0.00 -0.34 0.00 0.00 43.02 39.19 2k3k s PHE 72 CO 0.00 -1.23 1.87 -0.35 -1.46 0.00 0.00 175.22 174.05 2k3k n PRO 73 N 1.54 2.32 -0.28 10.12 -0.04 -1.26 -0.92 135.00 146.48 2k3k n PRO 73 Ca 0.01 -2.76 0.05 0.00 -0.04 0.00 0.00 63.50 60.76 2k3k n PRO 73 Cb 0.44 -3.55 0.26 0.00 -0.04 0.00 0.00 33.50 30.61 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 8.48 0.99 -0.73 0.54 3.57 -1.92 -3.45 116.94 124.43 2k3k h PHE 74 Ca 0.35 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.87 2k3k h PHE 74 Cb 0.87 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.29 2k3k h PHE 74 CO 1.32 0.51 0.00 0.66 -2.23 0.00 0.00 178.31 178.57 2k3k n TYR 75 N -4.49 0.00 0.36 0.41 4.01 -1.26 -5.01 117.16 111.17 2k3k n TYR 75 Ca 0.13 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.87 2k3k n TYR 75 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 0.24 -3.90 7.72 2.03 -1.26 -4.52 116.55 116.86 2k3k n ASP 76 Ca 0.00 -0.60 -0.15 0.00 0.52 0.00 0.00 54.79 54.56 2k3k n ASP 76 Cb 0.00 -0.12 -0.15 0.00 -0.72 0.00 0.00 41.12 40.13 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 -1.20 0.27 0.15 -0.67 1.02 -1.26 -5.05 119.74 112.99 2k3k s LYS 77 Ca 0.00 -0.07 -0.30 0.00 0.02 0.00 0.00 55.97 55.62 2k3k s LYS 77 Cb 0.00 -0.30 -0.08 0.00 -0.52 0.00 0.00 37.83 36.93 2k3k s LYS 77 CO 0.00 0.02 1.30 -1.25 -0.92 0.00 0.00 175.35 174.51 2k3k s PRO 78 N 0.17 4.39 0.67 -1.68 0.04 -1.26 -3.70 135.00 133.63 2k3k s PRO 78 Ca -0.01 2.00 -0.17 0.00 0.04 0.00 0.00 61.00 62.86 2k3k s PRO 78 Cb -0.04 -3.24 0.00 0.00 0.04 0.00 0.00 34.50 31.26 2k3k s PRO 78 CO -0.00 -0.29 1.21 -1.64 0.04 0.00 0.00 177.00 176.31 2k3k s MET 79 N 0.44 2.54 -0.08 4.56 -1.94 -0.09 -4.77 119.30 119.95 2k3k s MET 79 Ca 0.59 1.79 0.02 0.00 -1.71 0.00 0.00 55.69 56.38 2k3k s MET 79 Cb -0.35 -1.88 0.01 0.00 2.01 0.00 0.00 34.83 34.63 2k3k s MET 79 CO 0.34 -1.54 -0.12 -0.65 -0.01 0.00 0.00 175.02 173.04 2k3k s GLN 80 N -3.66 1.75 0.03 2.03 -1.52 -0.53 -1.45 119.66 116.30 2k3k s GLN 80 Ca 0.76 -0.41 0.01 0.00 -1.95 0.00 0.00 55.36 53.77 2k3k s GLN 80 Cb -0.30 -1.48 -0.02 0.00 -0.22 0.00 0.00 33.01 30.99 2k3k s GLN 80 CO 0.40 -0.01 -0.06 0.42 -0.25 0.00 0.00 175.29 175.79 2k3k s ILE 81 N 0.81 0.37 0.33 1.08 1.01 -1.26 -0.31 121.20 123.23 2k3k s ILE 81 Ca -0.12 -0.97 -0.09 0.00 0.00 0.00 0.00 60.65 59.47 2k3k s ILE 81 Cb -0.15 -0.46 0.02 0.00 0.01 0.00 0.00 42.46 41.87 2k3k s ILE 81 CO 0.02 -0.40 0.56 0.00 0.00 0.00 0.00 174.94 175.12 2k3k s ALA 82 N -1.34 0.09 0.88 9.38 0.00 -0.52 -5.02 121.76 125.23 2k3k s ALA 82 Ca -0.12 -1.14 -0.11 0.00 0.00 0.00 0.00 51.96 50.59 2k3k s ALA 82 Cb -0.10 1.00 0.12 0.00 0.00 0.00 0.00 23.12 24.15 2k3k s ALA 82 CO -0.00 -0.86 1.10 1.52 0.00 0.00 0.00 175.76 177.51 2k3k s TYR 83 N -3.11 2.19 0.40 0.00 1.13 -1.26 -0.69 117.35 116.02 2k3k s TYR 83 Ca 0.24 1.47 -0.27 0.00 -1.41 0.00 0.00 57.07 57.10 2k3k s TYR 83 Cb -0.02 -3.15 -0.10 0.00 -1.10 0.00 0.00 41.96 37.59 2k3k s TYR 83 CO 0.15 -2.38 1.43 0.43 -2.51 0.00 0.00 175.55 172.67 2k3k n SER 84 N -3.91 3.41 -2.75 -0.18 7.64 -1.25 -4.25 113.62 112.34 2k3k n SER 84 Ca 0.08 1.18 -0.03 0.00 1.01 0.00 0.00 58.87 61.11 2k3k n SER 84 Cb 0.54 -1.59 0.05 0.00 -1.01 0.00 0.00 64.21 62.19 2k3k n SER 84 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2k3k n LYS 85 N 0.22 1.85 -1.67 1.43 4.76 -1.26 -4.98 118.16 118.51 2k3k n LYS 85 Ca 0.03 -3.55 -0.53 0.00 -2.87 0.00 0.00 58.31 51.40 2k3k n LYS 85 Cb 0.39 -1.64 -0.06 0.00 -1.84 0.00 0.00 35.03 31.89 2k3k n LYS 85 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2k3k n SER 86 N -0.56 2.61 -0.09 4.39 7.64 -1.26 -4.80 113.62 121.55 2k3k n SER 86 Ca 0.11 1.06 -0.06 0.00 1.01 0.00 0.00 58.87 60.98 2k3k n SER 86 Cb 0.81 -1.25 -0.00 0.00 -1.01 0.00 0.00 64.21 62.77 2k3k n SER 86 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k3k h ASP 87 N 7.08 -0.32 -0.53 6.43 3.58 -1.99 -1.19 116.42 129.48 2k3k h ASP 87 Ca -0.47 0.10 -0.01 0.00 0.42 0.00 0.00 57.03 57.07 2k3k h ASP 87 Cb 1.30 0.21 -0.03 0.00 1.72 0.00 0.00 39.33 42.53 2k3k h ASP 87 CO 0.91 -0.12 0.29 0.28 -2.88 0.00 0.00 179.24 177.73 2k3k h SER 88 N -0.01 0.68 -0.02 2.28 0.02 -1.99 -1.02 113.55 113.49 2k3k h SER 88 Ca 0.16 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.97 2k3k h SER 88 Cb 0.25 -0.17 0.01 0.00 0.14 0.00 0.00 62.40 62.62 2k3k h SER 88 CO -0.34 0.57 -0.32 -0.78 -1.14 0.00 0.00 176.83 174.81 2k3k h ASP 89 N 0.77 0.32 -0.48 3.07 3.58 -1.63 -0.97 116.42 121.08 2k3k h ASP 89 Ca 0.20 -0.73 -0.09 0.00 0.42 0.00 0.00 57.03 56.83 2k3k h ASP 89 Cb 0.04 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.98 2k3k h ASP 89 CO -0.03 1.00 -0.01 0.16 -2.88 0.00 0.00 179.24 177.48 2k3k h ILE 90 N -0.33 1.26 -0.27 2.25 3.07 -1.15 0.00 117.51 122.34 2k3k h ILE 90 Ca -0.03 -1.10 -0.01 0.00 1.55 0.00 0.00 64.86 65.27 2k3k h ILE 90 Cb 1.03 0.86 -0.01 0.00 -0.27 0.00 0.00 36.82 38.43 2k3k h ILE 90 CO 0.06 0.39 0.14 0.58 -1.05 0.00 0.00 178.15 178.28 2k3k h VAL 91 N 0.85 1.13 -0.76 0.16 2.07 -1.22 -1.48 116.25 117.01 2k3k h VAL 91 Ca 0.16 -0.37 0.01 0.00 0.82 0.00 0.00 66.70 67.31 2k3k h VAL 91 Cb 0.52 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 2k3k h VAL 91 CO 0.03 0.13 0.50 0.00 0.02 0.00 0.00 177.57 178.25 2k3k h ALA 92 N 1.01 1.45 -0.05 1.67 0.00 -0.62 0.25 119.26 122.97 2k3k h ALA 92 Ca 0.09 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2k3k h ALA 92 Cb 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2k3k h ALA 92 CO -0.01 0.51 0.01 0.87 0.00 0.00 0.00 179.25 180.62 2k3k h LYS 93 N 1.03 0.09 -0.10 0.00 1.57 -0.65 0.11 116.57 118.62 2k3k h LYS 93 Ca 0.28 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.90 2k3k h LYS 93 Cb -0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2k3k h LYS 93 CO -0.06 0.30 -0.53 -0.84 -0.57 0.00 0.00 179.45 177.75 2k3k h ILE 94 N -0.14 1.35 0.00 1.86 3.07 -0.86 -2.75 117.51 120.05 2k3k h ILE 94 Ca 0.02 -1.80 -0.12 0.00 1.55 0.00 0.00 64.86 64.51 2k3k h ILE 94 Cb 0.25 1.86 -0.02 0.00 -0.27 0.00 0.00 36.82 38.64 2k3k h ILE 94 CO 0.00 0.54 -0.57 0.11 -1.05 0.00 0.00 178.15 177.17 2k3k h LYS 95 N 0.22 0.00 0.00 0.16 1.79 -0.96 -3.47 116.57 114.30 2k3k h LYS 95 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 2k3k h LYS 95 Cb 1.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2k3k h LYS 95 CO 0.08 0.57 0.00 0.41 -1.08 0.00 0.00 179.45 179.44 2k3k n GLY 96 N 0.15 1.94 0.01 3.86 0.00 -0.09 -4.94 105.19 106.13 2k3k n GLY 96 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.03 2k3k n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k3k n THR 97 N -2.00 1.68 0.24 2.61 -2.24 -0.78 -0.59 114.28 113.21 2k3k n THR 97 Ca 0.00 0.45 0.14 0.00 -2.27 0.00 0.00 64.05 62.37 2k3k n THR 97 Cb 0.00 -1.39 0.79 0.00 -2.10 0.00 0.00 70.33 67.63 2k3k n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k3k h PHE 98 N 0.00 0.00 0.00 4.78 3.57 -1.56 -3.38 116.94 120.35 2k3k h PHE 98 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2k3k h PHE 98 Cb 0.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.81 2k3k h PHE 98 CO 0.00 0.00 -0.32 1.17 -2.23 0.00 0.00 178.31 176.93 2k3k n LYS 99 N -4.09 0.00 -0.99 1.11 0.00 -0.42 -5.03 118.16 108.75 2k3k n LYS 99 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 58.31 58.01 2k3k n LYS 99 Cb 0.19 -0.50 0.16 0.00 0.00 0.00 0.00 35.03 34.89 2k3k n LYS 99 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k3k s GLU 100 N -1.54 0.82 0.59 1.64 2.02 0.25 -5.00 118.70 117.48 2k3k s GLU 100 Ca 0.00 0.97 -0.19 0.00 0.02 0.00 0.00 54.97 55.77 2k3k s GLU 100 Cb 0.00 -1.75 -0.05 0.00 0.10 0.00 0.00 34.13 32.44 2k3k s GLU 100 CO 0.00 -2.58 1.05 0.54 0.02 0.00 0.00 175.26 174.29 2k3k n ARG 101 N -4.14 1.05 0.25 1.61 1.74 -1.26 -4.46 116.66 111.45 2k3k n ARG 101 Ca 0.07 0.40 0.12 0.00 -0.77 0.00 0.00 57.85 57.68 2k3k n ARG 101 Cb 0.54 -2.25 0.60 0.00 -1.02 0.00 0.00 32.46 30.33 2k3k n ARG 101 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 2k3k h PRO 102 N 0.68 0.00 -3.18 5.56 0.13 -1.95 -3.42 132.00 129.82 2k3k h PRO 102 Ca -0.49 0.00 -0.22 0.00 -0.87 0.00 0.00 66.00 64.42 2k3k h PRO 102 Cb 1.35 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.17 2k3k h PRO 102 CO 0.52 0.15 -0.56 0.21 -0.23 0.00 0.00 178.00 178.10 2k3k s LYS 103 N -3.82 0.14 0.00 0.86 2.20 -1.26 -5.05 119.74 112.81 2k3k s LYS 103 Ca -0.01 0.42 0.00 0.00 -0.36 0.00 0.00 55.97 56.02 2k3k s LYS 103 Cb 0.11 -0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.28 2k3k s LYS 103 CO 0.60 -0.16 0.00 0.36 -0.36 0.00 0.00 175.35 175.79