#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 1.44 0.11 0.03 1.03 -1.26 -5.10 118.70 114.95 2k3k s GLU 2 Ca 0.00 -0.65 0.10 0.00 0.03 0.00 0.00 54.97 54.45 2k3k s GLU 2 Cb 0.00 0.59 -0.04 0.00 -0.80 0.00 0.00 34.13 33.88 2k3k s GLU 2 CO 0.00 -0.64 -0.24 -1.64 -1.33 0.00 0.00 175.26 171.40 2k3k s MET 3 N -3.78 1.33 0.27 -4.83 -1.94 -1.26 -5.11 119.30 103.98 2k3k s MET 3 Ca 0.05 -1.24 -0.30 0.00 -1.71 0.00 0.00 55.69 52.49 2k3k s MET 3 Cb -0.03 -1.70 -0.11 0.00 2.01 0.00 0.00 34.83 35.01 2k3k s MET 3 CO -0.06 0.40 1.52 -0.51 -0.01 0.00 0.00 175.02 176.37 2k3k s LEU 4 N -1.88 4.36 0.31 -0.03 1.43 -1.26 -4.95 118.68 116.66 2k3k s LEU 4 Ca 0.11 2.82 -0.29 0.00 -1.03 0.00 0.00 54.13 55.74 2k3k s LEU 4 Cb -0.10 -3.63 -0.13 0.00 0.03 0.00 0.00 46.19 42.36 2k3k s LEU 4 CO 0.05 -0.81 1.26 -2.65 0.23 0.00 0.00 176.35 174.42 2k3k n PRO 5 N 2.27 1.95 -3.54 1.29 -0.02 -1.26 -4.67 135.00 131.02 2k3k n PRO 5 Ca 0.08 0.69 -0.15 0.00 -2.02 0.00 0.00 63.50 62.09 2k3k n PRO 5 Cb 0.39 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.24 -0.52 0.00 2.55 2.47 -1.26 -5.05 114.94 112.89 2k3k s ASN 6 Ca 0.59 0.31 0.17 0.00 0.42 0.00 0.00 52.86 54.34 2k3k s ASN 6 Cb -0.61 0.52 0.84 0.00 -1.45 0.00 0.00 41.25 40.55 2k3k s ASN 6 CO 0.59 -0.72 1.48 1.67 -3.72 0.00 0.00 177.10 176.40 2k3k n GLN 7 N 0.45 0.25 -4.04 0.43 7.27 -1.26 -4.52 117.38 115.96 2k3k n GLN 7 Ca -0.18 0.13 -0.10 0.00 0.07 0.00 0.00 57.00 56.91 2k3k n GLN 7 Cb 0.60 -1.50 -0.11 0.00 2.41 0.00 0.00 30.24 31.64 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 -2.55 0.28 0.35 1.69 2.01 -1.26 -0.89 115.64 115.27 2k3k s THR 8 Ca 0.16 -1.22 0.03 0.00 0.31 0.00 0.00 61.69 60.98 2k3k s THR 8 Cb 0.11 -0.71 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 2k3k s THR 8 CO 0.25 -0.60 0.09 0.27 -0.69 0.00 0.00 174.62 173.93 2k3k s ILE 9 N -2.12 0.92 -0.18 1.82 -4.36 -0.40 -3.50 121.20 113.39 2k3k s ILE 9 Ca -0.08 -2.00 -0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2k3k s ILE 9 Cb -0.05 -2.61 0.05 0.00 1.25 0.00 0.00 42.46 41.10 2k3k s ILE 9 CO -0.03 0.00 0.02 -0.47 0.24 0.00 0.00 174.94 174.70 2k3k s TYR 10 N -3.30 1.10 -0.09 1.37 5.04 0.31 -2.51 117.35 119.27 2k3k s TYR 10 Ca 0.31 -0.82 -0.05 0.00 -2.44 0.00 0.00 57.07 54.07 2k3k s TYR 10 Cb 0.06 -1.05 -0.04 0.00 0.35 0.00 0.00 41.96 41.29 2k3k s TYR 10 CO 0.15 -0.58 0.14 0.42 -1.34 0.00 0.00 175.55 174.34 2k3k s ILE 11 N 1.83 5.39 0.33 3.14 1.01 0.14 -1.32 121.20 131.72 2k3k s ILE 11 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 60.65 60.70 2k3k s ILE 11 Cb -0.16 -3.39 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 2k3k s ILE 11 CO -0.07 0.54 0.43 0.21 0.00 0.00 0.00 174.94 176.05 2k3k s ASN 12 N -1.25 0.90 -1.36 3.58 3.84 0.68 -1.41 114.94 119.92 2k3k s ASN 12 Ca 0.18 -1.48 0.00 0.00 0.21 0.00 0.00 52.86 51.77 2k3k s ASN 12 Cb -0.12 0.63 0.00 0.00 -0.55 0.00 0.00 41.25 41.21 2k3k s ASN 12 CO 0.08 -1.23 0.00 -3.20 -2.79 0.00 0.00 177.10 169.95 2k3k n ASN 13 N -1.30 -4.44 -4.72 -4.21 5.15 -1.19 -2.09 115.26 102.46 2k3k n ASN 13 Ca 0.02 0.18 -0.42 0.00 -0.60 0.00 0.00 54.58 53.76 2k3k n ASN 13 Cb 0.62 -3.80 -0.03 0.00 -0.53 0.00 0.00 39.78 36.04 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 -5.39 4.39 -0.02 1.20 0.20 -0.82 -4.72 118.68 113.51 2k3k s LEU 14 Ca 0.00 2.11 -0.30 0.00 0.69 0.00 0.00 54.13 56.63 2k3k s LEU 14 Cb 0.00 -3.59 -0.06 0.00 -0.43 0.00 0.00 46.19 42.11 2k3k s LEU 14 CO 0.00 -0.48 1.63 0.21 -0.29 0.00 0.00 176.35 177.41 2k3k s ASN 15 N 0.89 6.68 0.58 3.68 3.84 -1.26 -4.50 114.94 124.85 2k3k s ASN 15 Ca 0.59 2.27 0.36 0.00 0.21 0.00 0.00 52.86 56.29 2k3k s ASN 15 Cb -0.31 -2.54 1.94 0.00 -0.55 0.00 0.00 41.25 39.79 2k3k s ASN 15 CO 0.31 -0.89 2.09 1.05 -2.79 0.00 0.00 177.10 176.86 2k3k h GLU 16 N 9.10 0.00 -0.35 0.43 4.11 -1.94 -2.64 114.58 123.29 2k3k h GLU 16 Ca -0.40 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 58.98 2k3k h GLU 16 Cb 1.18 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2k3k h GLU 16 CO 0.94 0.00 0.01 1.57 0.07 0.00 0.00 179.01 181.60 2k3k h LYS 17 N 0.00 0.55 -6.49 1.06 2.10 -1.89 -3.44 116.57 108.45 2k3k h LYS 17 Ca 0.00 -0.12 -0.54 0.00 -2.00 0.00 0.00 60.65 57.99 2k3k h LYS 17 Cb 0.17 -0.08 0.04 0.00 -0.90 0.00 0.00 32.23 31.46 2k3k h LYS 17 CO 0.00 0.57 1.08 -0.89 -2.00 0.00 0.00 179.45 178.20 2k3k n ILE 18 N -4.28 0.35 -1.50 0.07 2.08 -1.00 -4.97 119.36 110.12 2k3k n ILE 18 Ca 0.02 -0.06 -0.31 0.00 0.56 0.00 0.00 62.75 62.95 2k3k n ILE 18 Cb 0.24 -2.04 0.06 0.00 -0.75 0.00 0.00 39.64 37.15 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 2.67 2.74 0.21 0.38 2.20 -1.26 -4.84 119.74 121.84 2k3k s LYS 19 Ca 0.83 0.98 -0.09 0.00 -0.36 0.00 0.00 55.97 57.33 2k3k s LYS 19 Cb -0.52 -1.97 0.24 0.00 -1.51 0.00 0.00 37.83 34.08 2k3k s LYS 19 CO 0.39 -1.25 1.80 -0.22 -0.36 0.00 0.00 175.35 175.71 2k3k h LYS 20 N -0.83 0.64 -0.40 4.03 3.64 -1.93 0.23 116.57 121.95 2k3k h LYS 20 Ca -0.44 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2k3k h LYS 20 Cb 1.22 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2k3k h LYS 20 CO 0.56 0.42 0.24 1.49 -2.27 0.00 0.00 179.45 179.89 2k3k h GLU 21 N 0.66 0.55 -0.55 1.90 4.81 -1.97 0.12 114.58 120.10 2k3k h GLU 21 Ca 0.30 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.43 2k3k h GLU 21 Cb 0.20 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 2k3k h GLU 21 CO -0.19 0.42 0.17 0.93 -0.73 0.00 0.00 179.01 179.61 2k3k h GLU 22 N 0.53 0.86 0.28 1.92 5.08 -1.76 -0.30 114.58 121.19 2k3k h GLU 22 Ca 0.14 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2k3k h GLU 22 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2k3k h GLU 22 CO -0.03 0.78 -0.25 1.25 -1.00 0.00 0.00 179.01 179.77 2k3k h LEU 23 N 0.77 -0.65 -0.09 1.33 7.12 -0.74 0.12 115.31 123.18 2k3k h LEU 23 Ca 0.18 0.06 0.02 0.00 0.13 0.00 0.00 57.88 58.26 2k3k h LEU 23 Cb 0.28 0.22 -0.02 0.00 -0.53 0.00 0.00 40.66 40.61 2k3k h LEU 23 CO -0.01 -0.37 -0.04 0.11 -0.13 0.00 0.00 178.44 178.01 2k3k h LYS 24 N -0.54 -0.03 -0.82 1.25 1.57 -0.70 -0.56 116.57 116.73 2k3k h LYS 24 Ca -0.01 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.81 2k3k h LYS 24 Cb 0.49 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.76 2k3k h LYS 24 CO -0.03 -0.02 0.52 0.87 -0.57 0.00 0.00 179.45 180.21 2k3k h LYS 25 N -0.03 0.96 -0.42 3.15 1.79 -0.97 -1.38 116.57 119.67 2k3k h LYS 25 Ca 0.05 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 2k3k h LYS 25 Cb 0.11 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.52 2k3k h LYS 25 CO -0.11 0.64 0.17 0.77 -1.08 0.00 0.00 179.45 179.83 2k3k h SER 26 N 0.99 0.57 -0.48 0.86 0.02 -0.28 0.07 113.55 115.30 2k3k h SER 26 Ca 0.34 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 2k3k h SER 26 Cb 0.06 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 2k3k h SER 26 CO -0.13 0.58 0.09 -0.07 -1.14 0.00 0.00 176.83 176.16 2k3k h LEU 27 N 0.53 0.75 -1.56 5.07 3.38 -0.62 -1.11 115.31 121.75 2k3k h LEU 27 Ca 0.14 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.82 2k3k h LEU 27 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k3k h LEU 27 CO -0.01 0.81 -0.17 1.88 0.09 0.00 0.00 178.44 181.04 2k3k h TYR 28 N 0.66 0.07 -0.27 1.13 0.05 -1.12 0.20 116.97 117.70 2k3k h TYR 28 Ca 0.15 -0.01 -0.16 0.00 0.05 0.00 0.00 58.73 58.76 2k3k h TYR 28 Cb 0.37 -0.02 -0.00 0.00 1.01 0.00 0.00 36.73 38.09 2k3k h TYR 28 CO 0.03 0.24 -0.45 0.00 -1.05 0.00 0.00 178.16 176.93 2k3k h ALA 29 N 1.76 0.42 0.00 3.88 0.00 -0.07 -3.39 119.26 121.86 2k3k h ALA 29 Ca 0.01 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k3k h ALA 29 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k3k h ALA 29 CO 0.02 0.56 -0.72 0.44 0.00 0.00 0.00 179.25 179.56 2k3k n ILE 30 N -4.12 0.00 -0.25 0.00 -5.35 -0.51 -4.64 119.36 104.48 2k3k n ILE 30 Ca -0.05 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.37 2k3k n ILE 30 Cb 0.57 -0.63 0.05 0.00 -1.74 0.00 0.00 39.64 37.89 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 1.03 0.00 4.28 -1.00 -1.14 -2.06 116.94 118.05 2k3k h PHE 31 Ca 0.00 -0.06 0.00 0.00 2.81 0.00 0.00 57.97 60.72 2k3k h PHE 31 Cb 0.72 -0.32 0.00 0.00 3.61 0.00 0.00 35.95 39.96 2k3k h PHE 31 CO 0.00 0.78 0.00 0.77 -1.61 0.00 0.00 178.31 178.25 2k3k h SER 32 N 0.98 0.00 1.11 2.17 0.02 -1.41 -0.31 113.55 116.12 2k3k h SER 32 Ca 0.24 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2k3k h SER 32 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 2k3k h SER 32 CO -0.03 0.00 0.00 1.56 -1.14 0.00 0.00 176.83 177.22 2k3k h GLN 33 N 0.00 0.00 0.00 3.45 1.08 -1.63 -3.33 115.11 114.68 2k3k h GLN 33 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2k3k h GLN 33 Cb 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.53 2k3k h GLN 33 CO 0.00 0.00 -0.70 1.19 -0.95 0.00 0.00 178.83 178.37 2k3k n PHE 34 N -2.80 0.00 -3.28 2.96 3.72 -0.28 -4.96 117.46 112.82 2k3k n PHE 34 Ca 0.02 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.38 2k3k n PHE 34 Cb 0.33 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.81 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 -1.60 -0.63 -0.01 1.37 0.00 -0.31 -3.85 107.32 102.28 2k3k s GLY 35 Ca 0.00 1.26 -0.31 0.00 0.00 0.00 0.00 44.72 45.67 2k3k s GLY 35 CO 0.00 2.92 1.97 -0.18 0.00 0.00 0.00 173.10 177.81 2k3k n GLN 36 N 5.39 2.63 -1.55 2.90 -0.06 -1.25 -3.71 117.38 121.73 2k3k n GLN 36 Ca -0.03 0.95 -0.33 0.00 -2.00 0.00 0.00 57.00 55.59 2k3k n GLN 36 Cb 0.50 -2.93 0.07 0.00 -4.06 0.00 0.00 30.24 23.83 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 4.62 2.82 0.00 1.69 1.01 -1.26 -2.39 121.20 127.69 2k3k s ILE 37 Ca 0.91 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.94 2k3k s ILE 37 Cb -0.50 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.08 2k3k s ILE 37 CO 0.44 -0.24 0.00 -0.11 0.00 0.00 0.00 174.94 175.03 2k3k n LEU 38 N -2.68 1.71 -3.56 2.97 7.94 0.65 -4.61 117.00 119.41 2k3k n LEU 38 Ca 0.12 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 44.44 2k3k n LEU 38 CO 0.48 0.29 0.37 -0.62 -1.11 0.00 0.00 177.39 176.79 2k3k s ASP 39 N -3.50 -0.44 0.01 1.96 2.15 -0.60 -4.98 116.67 111.28 2k3k s ASP 39 Ca 0.00 -0.20 0.00 0.00 0.43 0.00 0.00 52.55 52.78 2k3k s ASP 39 Cb 0.00 0.61 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 2k3k s ASP 39 CO 0.00 -1.03 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.31 2k3k s ILE 40 N -3.80 0.15 -0.13 4.11 1.01 -1.26 -0.45 121.20 120.83 2k3k s ILE 40 Ca 0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2k3k s ILE 40 Cb -0.02 -0.19 0.05 0.00 0.01 0.00 0.00 42.46 42.31 2k3k s ILE 40 CO -0.08 -0.15 0.08 -0.69 0.00 0.00 0.00 174.94 174.10 2k3k s VAL 41 N -0.55 -0.10 0.04 2.92 1.01 0.29 -4.99 120.40 119.02 2k3k s VAL 41 Ca -0.05 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 61.88 2k3k s VAL 41 Cb -0.04 -0.44 -0.01 0.00 0.00 0.00 0.00 36.38 35.89 2k3k s VAL 41 CO -0.00 -0.14 0.14 0.00 0.00 0.00 0.00 175.10 175.10 2k3k s ALA 42 N 2.15 -0.17 -0.14 5.51 0.00 -1.26 -0.72 121.76 127.14 2k3k s ALA 42 Ca 0.03 -0.48 -0.29 0.00 0.00 0.00 0.00 51.96 51.22 2k3k s ALA 42 Cb -0.15 0.29 0.07 0.00 0.00 0.00 0.00 23.12 23.33 2k3k s ALA 42 CO -0.07 -0.36 0.70 -1.17 0.00 0.00 0.00 175.76 174.86 2k3k s LEU 43 N -2.22 -0.69 0.00 0.00 2.96 -1.26 -4.92 118.68 112.56 2k3k s LEU 43 Ca -0.04 1.00 0.24 0.00 -0.22 0.00 0.00 54.13 55.11 2k3k s LEU 43 Cb -0.00 2.51 1.06 0.00 0.50 0.00 0.00 46.19 50.25 2k3k s LEU 43 CO -0.05 -0.47 1.76 0.29 -1.32 0.00 0.00 176.35 176.56 2k3k n LYS 44 N 1.59 0.09 -1.71 1.98 4.76 -1.26 -2.49 118.16 121.11 2k3k n LYS 44 Ca -0.17 0.09 -0.38 0.00 -2.87 0.00 0.00 58.31 54.97 2k3k n LYS 44 Cb 0.56 -1.50 0.05 0.00 -1.84 0.00 0.00 35.03 32.30 2k3k n LYS 44 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2k3k n THR 45 N -1.45 4.00 -0.33 -0.18 -2.24 -1.26 -4.50 114.28 108.33 2k3k n THR 45 Ca 0.07 -0.50 0.13 0.00 -2.27 0.00 0.00 64.05 61.48 2k3k n THR 45 Cb 0.25 -1.53 0.32 0.00 -2.10 0.00 0.00 70.33 67.27 2k3k n THR 45 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2k3k h LEU 46 N 1.10 0.61 -2.44 3.22 7.12 -1.96 0.12 115.31 123.08 2k3k h LEU 46 Ca -0.50 0.12 0.00 0.00 0.13 0.00 0.00 57.88 57.63 2k3k h LEU 46 Cb 1.32 0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 41.48 2k3k h LEU 46 CO 0.55 0.16 0.18 0.07 -0.13 0.00 0.00 178.44 179.28 2k3k h LYS 47 N 0.61 0.00 0.00 1.25 2.10 -1.90 -3.17 116.57 115.46 2k3k h LYS 47 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 2k3k h LYS 47 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2k3k h LYS 47 CO -0.44 0.00 0.00 -1.33 -2.00 0.00 0.00 179.45 175.68 2k3k n MET 48 N -3.01 1.07 0.26 0.07 2.81 0.19 -4.83 117.12 113.68 2k3k n MET 48 Ca -0.02 -0.05 0.11 0.00 -1.81 0.00 0.00 57.70 55.93 2k3k n MET 48 Cb 0.25 -0.32 0.71 0.00 -0.71 0.00 0.00 33.22 33.15 2k3k n MET 48 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2k3k h ARG 49 N 0.00 0.00 -0.16 0.03 2.43 -0.63 -2.76 114.38 113.29 2k3k h ARG 49 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2k3k h ARG 49 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2k3k h ARG 49 CO 0.00 0.09 0.00 0.41 -1.51 0.00 0.00 179.97 178.96 2k3k n GLY 50 N -1.03 3.89 3.48 2.80 0.00 -1.26 -4.17 105.19 108.89 2k3k n GLY 50 Ca -0.02 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.22 1.64 0.13 1.61 0.00 -1.04 -1.94 119.66 117.84 2k3k s GLN 51 Ca 0.29 -1.54 -0.21 0.00 -0.00 0.00 0.00 55.36 53.90 2k3k s GLN 51 Cb 0.23 0.42 0.06 0.00 0.00 0.00 0.00 33.01 33.72 2k3k s GLN 51 CO 0.07 -0.66 0.52 0.00 0.00 0.00 0.00 175.29 175.22 2k3k s ALA 52 N -3.62 -1.34 0.08 2.60 0.00 -0.50 -4.69 121.76 114.29 2k3k s ALA 52 Ca 0.29 0.34 0.08 0.00 0.00 0.00 0.00 51.96 52.67 2k3k s ALA 52 Cb 0.01 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.83 2k3k s ALA 52 CO 0.14 -0.68 -0.22 -0.06 0.00 0.00 0.00 175.76 174.94 2k3k s PHE 53 N -3.53 1.92 -0.13 0.00 0.08 0.10 -0.69 117.98 115.73 2k3k s PHE 53 Ca 0.01 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.58 2k3k s PHE 53 Cb 0.00 -1.09 0.05 0.00 -0.57 0.00 0.00 43.02 41.41 2k3k s PHE 53 CO -0.11 0.18 0.32 0.54 -0.10 0.00 0.00 175.22 176.06 2k3k s VAL 54 N -1.00 -0.03 -0.10 -0.44 0.11 -1.04 -0.55 120.40 117.35 2k3k s VAL 54 Ca 0.08 0.10 -0.04 0.00 -2.93 0.00 0.00 61.98 59.19 2k3k s VAL 54 Cb -0.10 -0.48 -0.04 0.00 -1.53 0.00 0.00 36.38 34.24 2k3k s VAL 54 CO 0.04 0.04 0.07 -0.63 -3.33 0.00 0.00 175.10 171.28 2k3k s ILE 55 N 1.14 4.89 0.43 7.04 1.09 0.41 -1.28 121.20 134.92 2k3k s ILE 55 Ca -0.08 -0.03 0.04 0.00 -1.10 0.00 0.00 60.65 59.48 2k3k s ILE 55 Cb -0.08 -3.09 -0.05 0.00 -1.06 0.00 0.00 42.46 38.18 2k3k s ILE 55 CO -0.09 0.61 0.03 -0.36 -0.10 0.00 0.00 174.94 175.03 2k3k s PHE 56 N -0.94 2.10 0.01 3.97 0.40 -0.06 -0.25 117.98 123.20 2k3k s PHE 56 Ca 0.14 -0.90 0.22 0.00 -0.60 0.00 0.00 56.93 55.79 2k3k s PHE 56 Cb -0.12 -1.56 0.69 0.00 0.51 0.00 0.00 43.02 42.54 2k3k s PHE 56 CO 0.03 0.21 1.73 0.87 0.70 0.00 0.00 175.22 178.75 2k3k h LYS 57 N 1.67 0.00 -2.52 0.44 1.57 -1.73 -3.41 116.57 112.59 2k3k h LYS 57 Ca -0.42 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.28 2k3k h LYS 57 Cb 1.27 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.40 2k3k h LYS 57 CO 0.74 0.25 0.03 -2.00 -0.57 0.00 0.00 179.45 177.90 2k3k s GLU 58 N -3.45 0.97 0.39 3.15 2.56 -1.26 -5.06 118.70 116.00 2k3k s GLU 58 Ca 0.02 -0.03 0.10 0.00 0.00 0.00 0.00 54.97 55.06 2k3k s GLU 58 Cb 0.09 0.45 0.81 0.00 2.00 0.00 0.00 34.13 37.48 2k3k s GLU 58 CO 0.66 -0.32 1.93 -0.84 -0.56 0.00 0.00 175.26 176.13 2k3k h ILE 59 N 3.10 1.17 -0.17 -3.70 3.07 -1.89 -1.21 117.51 117.87 2k3k h ILE 59 Ca -0.29 -0.74 -0.16 0.00 1.55 0.00 0.00 64.86 65.22 2k3k h ILE 59 Cb 1.18 1.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.92 2k3k h ILE 59 CO 0.40 0.23 -0.55 1.23 -1.05 0.00 0.00 178.15 178.42 2k3k h GLY 60 N 0.71 0.56 0.86 0.16 0.00 -1.97 -0.68 103.07 102.71 2k3k h GLY 60 Ca 0.04 -0.65 -0.07 0.00 0.00 0.00 0.00 47.33 46.65 2k3k h GLY 60 CO 0.02 0.59 -0.13 1.76 0.00 0.00 0.00 176.54 178.78 2k3k h SER 61 N 0.40 0.55 -0.41 0.19 0.02 -1.74 -0.56 113.55 112.00 2k3k h SER 61 Ca 0.01 -0.41 0.05 0.00 -0.84 0.00 0.00 61.79 60.59 2k3k h SER 61 Cb 1.08 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.42 2k3k h SER 61 CO 0.10 0.84 0.14 0.00 -1.14 0.00 0.00 176.83 176.78 2k3k h ALA 62 N 0.73 0.48 -0.66 3.77 0.00 -1.18 -0.53 119.26 121.85 2k3k h ALA 62 Ca 0.06 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2k3k h ALA 62 Cb 0.64 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2k3k h ALA 62 CO 0.04 -0.25 0.38 0.77 0.00 0.00 0.00 179.25 180.19 2k3k h SER 63 N 0.30 0.82 -0.34 0.00 0.02 -0.89 -0.08 113.55 113.38 2k3k h SER 63 Ca 0.19 -0.08 -0.17 0.00 -0.84 0.00 0.00 61.79 60.89 2k3k h SER 63 Cb 0.18 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.50 2k3k h SER 63 CO -0.20 0.67 -0.44 -1.13 -1.14 0.00 0.00 176.83 174.59 2k3k h ASN 64 N 0.91 0.98 0.05 3.07 -1.24 -0.74 -0.62 115.58 117.99 2k3k h ASN 64 Ca 0.24 -0.49 0.02 0.00 0.71 0.00 0.00 56.30 56.77 2k3k h ASN 64 Cb 0.02 -0.28 -0.02 0.00 0.73 0.00 0.00 38.32 38.77 2k3k h ASN 64 CO -0.04 1.28 -0.13 0.00 -1.29 0.00 0.00 177.43 177.25 2k3k h ALA 65 N 0.73 -0.19 0.22 1.57 0.00 -0.95 -1.14 119.26 119.49 2k3k h ALA 65 Ca 0.04 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k3k h ALA 65 Cb 1.04 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 2k3k h ALA 65 CO 0.10 -0.64 -0.44 1.25 0.00 0.00 0.00 179.25 179.53 2k3k h LEU 66 N -0.25 -1.27 -0.63 0.00 6.46 -0.79 -0.92 115.31 117.92 2k3k h LEU 66 Ca 0.03 0.13 -0.11 0.00 -0.12 0.00 0.00 57.88 57.81 2k3k h LEU 66 Cb 0.28 0.46 -0.02 0.00 -0.73 0.00 0.00 40.66 40.65 2k3k h LEU 66 CO -0.10 -0.53 -0.16 0.03 -0.62 0.00 0.00 178.44 177.06 2k3k h ARG 67 N -0.74 0.91 -0.47 1.25 3.08 -1.08 -0.05 114.38 117.27 2k3k h ARG 67 Ca -0.00 -0.35 -0.08 0.00 0.07 0.00 0.00 59.98 59.61 2k3k h ARG 67 Cb 0.72 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.70 2k3k h ARG 67 CO -0.19 1.00 -0.05 1.15 -1.07 0.00 0.00 179.97 180.81 2k3k h THR 68 N 0.80 1.25 -0.01 2.04 2.02 -1.02 -3.12 112.91 114.88 2k3k h THR 68 Ca 0.12 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.20 2k3k h THR 68 Cb 0.70 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.05 2k3k h THR 68 CO 0.05 0.38 -0.50 0.23 0.37 0.00 0.00 175.52 176.06 2k3k n MET 69 N -4.19 0.50 -1.68 6.66 2.81 -0.36 -4.76 117.12 116.10 2k3k n MET 69 Ca 0.02 -0.34 -0.46 0.00 -1.81 0.00 0.00 57.70 55.11 2k3k n MET 69 Cb 0.33 -1.49 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 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 -0.96 2.43 -0.91 0.03 -0.06 -0.06 -1.29 117.38 116.57 2k3k n GLN 70 Ca 0.08 0.89 0.00 0.00 -2.00 0.00 0.00 57.00 55.97 2k3k n GLN 70 Cb 0.36 -2.75 0.00 0.00 -4.06 0.00 0.00 30.24 23.79 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 4.25 0.62 3.73 1.69 0.00 -0.42 -4.99 105.19 110.08 2k3k n GLY 71 Ca 0.20 0.00 -0.42 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 -2.75 3.03 -0.67 1.61 5.36 -0.41 -4.42 117.98 119.73 2k3k s PHE 72 Ca 0.00 0.86 -0.26 0.00 -0.96 0.00 0.00 56.93 56.57 2k3k s PHE 72 Cb 0.00 -3.87 -0.01 0.00 -0.34 0.00 0.00 43.02 38.81 2k3k s PHE 72 CO 0.00 -2.98 1.70 -1.25 -1.46 0.00 0.00 175.22 171.23 2k3k s PRO 73 N 0.26 2.79 0.06 10.12 0.04 -1.26 -0.54 135.00 146.47 2k3k s PRO 73 Ca 0.64 0.29 -0.28 0.00 0.04 0.00 0.00 61.00 61.69 2k3k s PRO 73 Cb -0.43 -4.39 -0.17 0.00 0.04 0.00 0.00 34.50 29.55 2k3k s PRO 73 CO 0.38 -2.60 1.53 0.35 0.04 0.00 0.00 177.00 176.71 2k3k h PHE 74 N 13.33 -0.52 0.00 0.56 3.57 -1.55 -3.46 116.94 128.87 2k3k h PHE 74 Ca -0.24 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.25 2k3k h PHE 74 Cb 1.12 0.17 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2k3k h PHE 74 CO 1.08 -0.27 0.00 0.66 -2.23 0.00 0.00 178.31 177.55 2k3k n TYR 75 N -5.29 -3.01 -0.02 0.41 4.01 -1.26 -4.97 117.16 107.02 2k3k n TYR 75 Ca -0.11 0.75 0.05 0.00 -0.16 0.00 0.00 57.90 58.43 2k3k n TYR 75 Cb 0.26 1.89 -0.14 0.00 -0.31 0.00 0.00 39.34 41.04 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 -3.13 0.97 -4.06 7.72 2.03 -1.26 -5.02 116.55 113.79 2k3k n ASP 76 Ca 0.00 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.19 2k3k n ASP 76 Cb 0.00 1.62 -0.11 0.00 -0.72 0.00 0.00 41.12 41.90 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 -3.05 0.53 0.09 -0.67 1.02 -1.26 -5.07 119.74 111.33 2k3k s LYS 77 Ca -0.07 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.80 2k3k s LYS 77 Cb 0.10 -0.21 -0.07 0.00 -0.52 0.00 0.00 37.83 37.13 2k3k s LYS 77 CO 0.72 0.02 1.32 -1.25 -0.92 0.00 0.00 175.35 175.24 2k3k s PRO 78 N -1.87 4.36 0.51 -1.68 0.04 -1.26 -1.29 135.00 133.80 2k3k s PRO 78 Ca -0.08 1.96 -0.22 0.00 0.04 0.00 0.00 61.00 62.70 2k3k s PRO 78 Cb -0.08 -3.30 -0.06 0.00 0.04 0.00 0.00 34.50 31.10 2k3k s PRO 78 CO -0.01 -0.38 1.24 -1.64 0.04 0.00 0.00 177.00 176.26 2k3k s MET 79 N 1.15 3.45 -0.08 4.56 -1.94 0.29 -4.81 119.30 121.92 2k3k s MET 79 Ca 0.62 1.95 0.03 0.00 -1.71 0.00 0.00 55.69 56.58 2k3k s MET 79 Cb -0.34 -2.30 0.01 0.00 2.01 0.00 0.00 34.83 34.21 2k3k s MET 79 CO 0.30 -0.86 -0.17 -0.65 -0.01 0.00 0.00 175.02 173.63 2k3k s GLN 80 N -2.85 2.24 0.02 2.03 -0.21 -0.89 -1.30 119.66 118.72 2k3k s GLN 80 Ca 0.68 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 55.46 2k3k s GLN 80 Cb -0.33 -1.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.89 2k3k s GLN 80 CO 0.39 0.10 -0.05 0.42 -2.12 0.00 0.00 175.29 174.04 2k3k s ILE 81 N 0.49 0.31 0.36 1.08 1.01 -1.26 -0.23 121.20 122.96 2k3k s ILE 81 Ca -0.16 -0.78 -0.05 0.00 0.00 0.00 0.00 60.65 59.66 2k3k s ILE 81 Cb -0.16 -0.39 0.02 0.00 0.01 0.00 0.00 42.46 41.94 2k3k s ILE 81 CO 0.06 -0.31 0.56 0.00 0.00 0.00 0.00 174.94 175.25 2k3k n ALA 82 N 1.90 -0.70 -1.39 9.38 0.00 -0.43 -5.01 120.51 124.26 2k3k n ALA 82 Ca -0.21 -1.52 -0.31 0.00 0.00 0.00 0.00 53.44 51.40 2k3k n ALA 82 Cb 0.56 1.22 0.07 0.00 0.00 0.00 0.00 19.45 21.30 2k3k n ALA 82 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2k3k s TYR 83 N -2.78 2.71 0.90 0.00 1.13 -1.26 -0.53 117.35 117.52 2k3k s TYR 83 Ca 0.25 1.53 -0.10 0.00 -1.41 0.00 0.00 57.07 57.34 2k3k s TYR 83 Cb -0.02 -3.03 0.14 0.00 -1.10 0.00 0.00 41.96 37.95 2k3k s TYR 83 CO 0.18 -1.63 1.16 -1.12 -2.51 0.00 0.00 175.55 171.63 2k3k s SER 84 N -3.30 2.96 -1.38 -0.18 0.01 -1.23 -3.43 113.70 107.15 2k3k s SER 84 Ca 0.62 2.22 0.00 0.00 1.31 0.00 0.00 55.95 60.10 2k3k s SER 84 Cb -0.17 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.49 2k3k s SER 84 CO 0.52 -3.08 0.00 0.29 0.41 0.00 0.00 173.24 171.38 2k3k n LYS 85 N -4.14 -1.66 -0.11 12.44 5.02 -1.26 -4.89 118.16 123.56 2k3k n LYS 85 Ca 0.12 0.96 -0.13 0.00 -2.02 0.00 0.00 58.31 57.24 2k3k n LYS 85 Cb 0.52 -5.38 -0.03 0.00 -0.02 0.00 0.00 35.03 30.11 2k3k n LYS 85 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2k3k h SER 86 N 0.00 0.82 -2.35 4.39 0.02 -1.96 -3.45 113.55 111.01 2k3k h SER 86 Ca -0.27 -0.45 0.13 0.00 -0.84 0.00 0.00 61.79 60.36 2k3k h SER 86 Cb 1.22 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2k3k h SER 86 CO 0.39 1.09 0.50 -0.67 -1.14 0.00 0.00 176.83 177.00 2k3k n ASP 87 N -4.23 -1.58 0.00 3.07 2.03 -1.26 -4.97 116.55 109.61 2k3k n ASP 87 Ca -0.03 -1.85 0.00 0.00 0.52 0.00 0.00 54.79 53.43 2k3k n ASP 87 Cb 0.47 2.57 0.00 0.00 -0.72 0.00 0.00 41.12 43.44 2k3k n ASP 87 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2k3k n SER 88 N -1.24 0.00 -0.13 1.67 7.64 -1.26 -4.20 113.62 116.10 2k3k n SER 88 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.76 2k3k n SER 88 Cb 0.52 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.70 2k3k n SER 88 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k3k h ASP 89 N 0.00 0.56 -0.61 6.43 3.58 -1.95 0.32 116.42 124.75 2k3k h ASP 89 Ca 0.00 -0.22 -0.08 0.00 0.42 0.00 0.00 57.03 57.16 2k3k h ASP 89 Cb 0.00 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 2k3k h ASP 89 CO 0.00 0.63 0.08 0.16 -2.88 0.00 0.00 179.24 177.23 2k3k h ILE 90 N 0.46 1.26 -0.24 2.25 3.07 -1.88 -0.25 117.51 122.18 2k3k h ILE 90 Ca 0.12 -1.04 -0.04 0.00 1.55 0.00 0.00 64.86 65.45 2k3k h ILE 90 Cb 0.28 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 37.56 2k3k h ILE 90 CO -0.00 0.38 -0.02 0.58 -1.05 0.00 0.00 178.15 178.04 2k3k h VAL 91 N 0.93 1.27 -0.90 0.16 2.07 -1.79 -1.40 116.25 116.58 2k3k h VAL 91 Ca 0.18 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.75 2k3k h VAL 91 Cb 0.46 1.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 2k3k h VAL 91 CO 0.02 0.30 0.60 0.00 0.02 0.00 0.00 177.57 178.50 2k3k h ALA 92 N 0.79 1.36 0.22 1.67 0.00 -0.78 -0.45 119.26 122.08 2k3k h ALA 92 Ca 0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k3k h ALA 92 Cb 0.45 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2k3k h ALA 92 CO 0.02 0.59 -0.11 -0.22 0.00 0.00 0.00 179.25 179.53 2k3k h LYS 93 N 1.22 -0.29 -0.16 0.00 3.64 -0.75 -0.21 116.57 120.01 2k3k h LYS 93 Ca 0.33 0.02 -0.13 0.00 -1.27 0.00 0.00 60.65 59.60 2k3k h LYS 93 Cb -0.13 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 2k3k h LYS 93 CO -0.07 -0.00 -0.47 -0.84 -2.27 0.00 0.00 179.45 175.79 2k3k h ILE 94 N -0.57 1.32 -0.06 2.00 3.07 -1.05 -3.13 117.51 119.09 2k3k h ILE 94 Ca -0.03 -1.68 -0.04 0.00 1.55 0.00 0.00 64.86 64.66 2k3k h ILE 94 Cb 0.42 1.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.68 2k3k h ILE 94 CO 0.05 0.51 -0.10 0.50 -1.05 0.00 0.00 178.15 178.06 2k3k h LYS 95 N 0.34 0.17 0.00 0.16 3.64 -1.14 -3.48 116.57 116.25 2k3k h LYS 95 Ca 0.02 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2k3k h LYS 95 Cb 0.96 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 2k3k h LYS 95 CO 0.08 0.68 0.00 0.41 -2.27 0.00 0.00 179.45 178.35 2k3k n GLY 96 N 0.41 1.37 0.35 5.01 0.00 -0.23 -5.01 105.19 107.09 2k3k n GLY 96 Ca -0.08 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.10 2k3k n GLY 96 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2k3k h THR 97 N 0.00 0.09 -0.50 2.61 2.02 -1.43 0.40 112.91 116.10 2k3k h THR 97 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2k3k h THR 97 Cb 0.00 0.63 -0.03 0.00 -1.74 0.00 0.00 68.15 67.01 2k3k h THR 97 CO 0.00 0.00 0.34 0.15 0.37 0.00 0.00 175.52 176.38 2k3k h PHE 98 N 0.00 0.31 0.00 3.16 3.57 -1.50 -3.34 116.94 119.13 2k3k h PHE 98 Ca 0.05 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2k3k h PHE 98 Cb 0.83 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2k3k h PHE 98 CO 0.00 0.15 0.00 0.36 -2.23 0.00 0.00 178.31 176.59 2k3k n LYS 99 N -4.46 0.00 -4.19 1.11 -0.00 -0.03 -5.03 118.16 105.55 2k3k n LYS 99 Ca 0.08 -0.36 -0.11 0.00 -0.00 0.00 0.00 58.31 57.91 2k3k n LYS 99 Cb 0.36 -0.37 -0.10 0.00 -0.00 0.00 0.00 35.03 34.92 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 0.00 1.02 0.43 -1.58 2.02 -0.25 -5.14 118.70 115.20 2k3k s GLU 100 Ca 0.00 -1.49 -0.26 0.00 0.02 0.00 0.00 54.97 53.24 2k3k s GLU 100 Cb 0.00 0.03 -0.09 0.00 0.10 0.00 0.00 34.13 34.17 2k3k s GLU 100 CO 0.00 -0.22 1.43 -2.13 0.02 0.00 0.00 175.26 174.36 2k3k n ARG 101 N -0.17 2.34 -0.34 1.61 3.00 -1.26 -4.25 116.66 117.59 2k3k n ARG 101 Ca -0.05 0.83 0.12 0.00 -0.00 0.00 0.00 57.85 58.75 2k3k n ARG 101 Cb 0.64 -2.61 0.31 0.00 0.00 0.00 0.00 32.46 30.79 2k3k n ARG 101 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.63 176.28 2k3k h PRO 102 N 2.46 0.71 -2.49 -0.14 0.11 -1.95 -3.43 132.00 127.27 2k3k h PRO 102 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.48 2k3k h PRO 102 Cb 1.26 -0.16 -0.19 0.00 0.11 0.00 0.00 31.00 32.02 2k3k h PRO 102 CO 0.62 0.47 -0.01 -1.59 -0.21 0.00 0.00 178.00 177.28 2k3k s LYS 103 N -5.87 0.91 0.00 1.05 -2.85 -1.26 -4.95 119.74 106.76 2k3k s LYS 103 Ca -0.11 0.02 0.00 0.00 -1.00 0.00 0.00 55.97 54.88 2k3k s LYS 103 Cb 0.25 0.42 0.00 0.00 -2.06 0.00 0.00 37.83 36.44 2k3k s LYS 103 CO 0.80 -0.28 0.45 1.17 0.10 0.00 0.00 175.35 177.59