#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k n GLU 2 N 0.00 0.00 -0.95 2.12 2.13 -1.26 -5.11 120.64 117.57 2k3k n GLU 2 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 2k3k n GLU 2 Cb 0.00 0.00 0.17 0.00 0.27 0.00 0.00 31.44 31.88 2k3k n GLU 2 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2k3k s MET 3 N -2.00 0.80 -0.09 5.31 0.23 -1.26 -5.08 119.30 117.22 2k3k s MET 3 Ca 0.00 1.02 0.04 0.00 -1.03 0.00 0.00 55.69 55.71 2k3k s MET 3 Cb 0.00 -1.74 0.00 0.00 -1.53 0.00 0.00 34.83 31.56 2k3k s MET 3 CO 0.00 -2.61 -0.21 -0.51 -2.03 0.00 0.00 175.02 169.66 2k3k s LEU 4 N -6.50 1.97 0.14 0.18 1.43 -1.26 -5.10 118.68 109.53 2k3k s LEU 4 Ca 0.65 -0.48 -0.34 0.00 -1.03 0.00 0.00 54.13 52.93 2k3k s LEU 4 Cb -0.20 -1.24 -0.16 0.00 0.03 0.00 0.00 46.19 44.62 2k3k s LEU 4 CO 0.59 0.13 1.25 -2.65 0.23 0.00 0.00 176.35 175.91 2k3k n PRO 5 N 3.53 1.21 -3.51 1.29 -0.02 -1.26 -4.81 135.00 131.43 2k3k n PRO 5 Ca -0.20 0.43 -0.16 0.00 -2.02 0.00 0.00 63.50 61.56 2k3k n PRO 5 Cb 0.53 -2.00 -0.05 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.23 -0.59 0.12 2.55 2.47 -1.26 -5.05 114.94 113.42 2k3k s ASN 6 Ca 0.78 0.42 0.19 0.00 0.42 0.00 0.00 52.86 54.67 2k3k s ASN 6 Cb -0.88 0.54 0.80 0.00 -1.45 0.00 0.00 41.25 40.26 2k3k s ASN 6 CO 0.49 -0.72 1.59 1.67 -3.72 0.00 0.00 177.10 176.41 2k3k n GLN 7 N 0.48 0.10 -4.22 0.43 7.27 -1.26 -4.49 117.38 115.69 2k3k n GLN 7 Ca -0.18 0.33 -0.17 0.00 0.07 0.00 0.00 57.00 57.05 2k3k n GLN 7 Cb 0.60 -1.68 -0.13 0.00 2.41 0.00 0.00 30.24 31.44 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 -3.15 0.81 0.32 1.69 2.01 -1.26 -1.09 115.64 114.96 2k3k s THR 8 Ca 0.06 -0.91 0.05 0.00 0.31 0.00 0.00 61.69 61.20 2k3k s THR 8 Cb 0.09 -0.77 -0.06 0.00 0.01 0.00 0.00 72.50 71.77 2k3k s THR 8 CO 0.33 -0.11 0.03 0.27 -0.69 0.00 0.00 174.62 174.45 2k3k s ILE 9 N -0.91 1.34 -0.13 1.82 -4.36 -0.39 -2.65 121.20 115.92 2k3k s ILE 9 Ca -0.02 -2.03 -0.02 0.00 -0.26 0.00 0.00 60.65 58.32 2k3k s ILE 9 Cb -0.08 -2.71 0.04 0.00 1.25 0.00 0.00 42.46 40.97 2k3k s ILE 9 CO 0.01 -0.09 0.02 -0.47 0.24 0.00 0.00 174.94 174.65 2k3k s TYR 10 N -3.20 0.84 -0.11 1.37 5.04 0.43 -2.41 117.35 119.32 2k3k s TYR 10 Ca 0.34 -0.50 -0.09 0.00 -2.44 0.00 0.00 57.07 54.39 2k3k s TYR 10 Cb 0.08 -0.92 -0.04 0.00 0.35 0.00 0.00 41.96 41.43 2k3k s TYR 10 CO 0.14 -0.47 0.18 0.42 -1.34 0.00 0.00 175.55 174.49 2k3k s ILE 11 N 1.92 5.43 -0.00 3.14 1.01 -0.02 -1.04 121.20 131.64 2k3k s ILE 11 Ca 0.02 0.30 0.00 0.00 0.00 0.00 0.00 60.65 60.98 2k3k s ILE 11 Cb -0.15 -3.46 0.00 0.00 0.01 0.00 0.00 42.46 38.87 2k3k s ILE 11 CO -0.07 0.59 0.73 -3.20 0.00 0.00 0.00 174.94 172.99 2k3k n ASN 12 N 2.15 0.06 -2.74 3.58 2.85 0.23 -1.33 115.26 120.07 2k3k n ASN 12 Ca -0.19 -1.46 -0.04 0.00 -0.11 0.00 0.00 54.58 52.78 2k3k n ASN 12 Cb 0.54 -0.09 0.06 0.00 1.24 0.00 0.00 39.78 41.54 2k3k n ASN 12 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2k3k n ASN 13 N -0.03 0.62 -4.75 1.20 5.15 -1.12 -4.78 115.26 111.56 2k3k n ASN 13 Ca 0.00 -2.33 -0.37 0.00 -0.60 0.00 0.00 54.58 51.28 2k3k n ASN 13 Cb 0.58 -0.13 0.04 0.00 -0.53 0.00 0.00 39.78 39.74 2k3k n ASN 13 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2k3k s LEU 14 N -3.55 3.73 0.01 1.20 1.43 -0.31 -4.50 118.68 116.69 2k3k s LEU 14 Ca 0.24 2.50 -0.30 0.00 -1.03 0.00 0.00 54.13 55.53 2k3k s LEU 14 Cb 0.40 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 42.05 2k3k s LEU 14 CO -0.03 -1.58 1.60 0.21 0.23 0.00 0.00 176.35 176.78 2k3k s ASN 15 N -1.40 6.68 0.47 2.29 3.84 -1.26 -4.53 114.94 121.03 2k3k s ASN 15 Ca 0.76 2.32 0.27 0.00 0.21 0.00 0.00 52.86 56.42 2k3k s ASN 15 Cb -0.33 -2.55 1.33 0.00 -0.55 0.00 0.00 41.25 39.15 2k3k s ASN 15 CO 0.37 -0.87 1.80 -0.08 -2.79 0.00 0.00 177.10 175.54 2k3k h GLU 16 N 8.69 0.18 0.00 0.43 4.81 -1.94 -1.63 114.58 125.13 2k3k h GLU 16 Ca -0.40 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 58.80 2k3k h GLU 16 Cb 1.19 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.52 2k3k h GLU 16 CO 0.93 0.12 -0.09 1.57 -0.73 0.00 0.00 179.01 180.81 2k3k h LYS 17 N 0.18 0.00 -6.20 1.92 2.10 -1.90 -3.44 116.57 109.23 2k3k h LYS 17 Ca 0.56 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.65 2k3k h LYS 17 Cb 1.82 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 33.13 2k3k h LYS 17 CO -0.14 0.09 0.99 0.42 -2.00 0.00 0.00 179.45 178.81 2k3k s ILE 18 N -4.16 3.95 0.92 0.07 -1.09 -0.62 -5.01 121.20 115.27 2k3k s ILE 18 Ca -0.03 1.15 -0.12 0.00 -2.23 0.00 0.00 60.65 59.43 2k3k s ILE 18 Cb 0.13 -3.75 0.14 0.00 -1.58 0.00 0.00 42.46 37.41 2k3k s ILE 18 CO 0.56 -0.10 1.09 -0.54 -1.23 0.00 0.00 174.94 174.72 2k3k s LYS 19 N 3.76 1.06 0.19 2.79 1.02 -1.26 -4.79 119.74 122.52 2k3k s LYS 19 Ca 0.63 0.81 -0.11 0.00 0.02 0.00 0.00 55.97 57.32 2k3k s LYS 19 Cb -0.27 -1.79 0.23 0.00 -0.52 0.00 0.00 37.83 35.48 2k3k s LYS 19 CO 0.22 -2.37 1.73 -0.22 -0.92 0.00 0.00 175.35 173.78 2k3k h LYS 20 N -1.64 0.30 -0.64 1.68 3.64 -1.94 0.16 116.57 118.12 2k3k h LYS 20 Ca -0.50 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 2k3k h LYS 20 Cb 1.29 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.01 2k3k h LYS 20 CO 0.54 0.20 0.39 1.49 -2.27 0.00 0.00 179.45 179.80 2k3k h GLU 21 N 0.30 0.87 -0.25 1.90 4.81 -1.97 -0.87 114.58 119.37 2k3k h GLU 21 Ca 0.27 -0.08 -0.16 0.00 -0.13 0.00 0.00 59.36 59.26 2k3k h GLU 21 Cb 0.35 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2k3k h GLU 21 CO -0.32 0.62 -0.49 0.93 -0.73 0.00 0.00 179.01 179.02 2k3k h GLU 22 N 0.87 0.68 0.20 1.92 5.08 -1.75 -0.94 114.58 120.64 2k3k h GLU 22 Ca 0.23 -0.40 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 2k3k h GLU 22 Cb -0.03 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2k3k h GLU 22 CO -0.04 1.01 -0.10 1.25 -1.00 0.00 0.00 179.01 180.13 2k3k h LEU 23 N 0.53 -0.24 -0.63 1.33 7.12 -0.65 0.65 115.31 123.42 2k3k h LEU 23 Ca 0.02 0.01 -0.11 0.00 0.13 0.00 0.00 57.88 57.94 2k3k h LEU 23 Cb 1.05 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.22 2k3k h LEU 23 CO 0.10 -0.17 -0.10 0.07 -0.13 0.00 0.00 178.44 178.21 2k3k h LYS 24 N -0.27 0.97 -0.09 1.25 2.10 -1.06 -0.55 116.57 118.92 2k3k h LYS 24 Ca -0.03 -0.35 0.03 0.00 -2.00 0.00 0.00 60.65 58.31 2k3k h LYS 24 Cb 0.21 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 31.44 2k3k h LYS 24 CO 0.04 1.02 -0.09 -0.22 -2.00 0.00 0.00 179.45 178.20 2k3k h LYS 25 N 0.86 -0.11 -0.47 0.07 3.64 -1.09 -1.06 116.57 118.42 2k3k h LYS 25 Ca 0.14 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 59.44 2k3k h LYS 25 Cb 0.65 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.48 2k3k h LYS 25 CO 0.05 -0.07 -0.06 0.77 -2.27 0.00 0.00 179.45 177.87 2k3k h SER 26 N -0.11 0.87 0.05 4.20 0.02 -0.49 0.30 113.55 118.39 2k3k h SER 26 Ca 0.07 -0.34 0.01 0.00 -0.84 0.00 0.00 61.79 60.69 2k3k h SER 26 Cb 0.21 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2k3k h SER 26 CO -0.16 1.00 -0.09 -0.07 -1.14 0.00 0.00 176.83 176.37 2k3k h LEU 27 N 0.72 -0.24 -1.19 5.07 3.38 -1.02 -1.43 115.31 120.59 2k3k h LEU 27 Ca 0.13 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 2k3k h LEU 27 Cb 0.59 0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2k3k h LEU 27 CO 0.04 -0.13 0.27 0.22 0.09 0.00 0.00 178.44 178.92 2k3k h TYR 28 N -0.18 0.83 -0.57 1.13 3.20 -0.98 -0.16 116.97 120.25 2k3k h TYR 28 Ca 0.02 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2k3k h TYR 28 Cb 0.19 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.18 2k3k h TYR 28 CO -0.13 0.62 0.18 0.00 -1.64 0.00 0.00 178.16 177.18 2k3k h ALA 29 N 1.47 0.74 0.00 1.82 0.00 -0.41 -3.38 119.26 119.50 2k3k h ALA 29 Ca 0.20 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k3k h ALA 29 Cb 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2k3k h ALA 29 CO -0.03 0.41 -0.57 0.44 0.00 0.00 0.00 179.25 179.50 2k3k n ILE 30 N -4.43 0.00 -0.19 0.00 -5.35 -0.59 -4.71 119.36 104.10 2k3k n ILE 30 Ca 0.03 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.53 2k3k n ILE 30 Cb 0.20 -0.50 0.29 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 0.86 -0.19 4.28 -1.00 -1.18 -0.88 116.94 118.84 2k3k h PHE 31 Ca 0.00 0.02 0.04 0.00 2.81 0.00 0.00 57.97 60.84 2k3k h PHE 31 Cb 0.57 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 2k3k h PHE 31 CO 0.00 0.52 0.13 0.77 -1.61 0.00 0.00 178.31 178.12 2k3k h SER 32 N 0.91 0.07 0.34 2.17 0.02 -1.66 -1.00 113.55 114.40 2k3k h SER 32 Ca 0.28 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 2k3k h SER 32 Cb -0.01 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2k3k h SER 32 CO -0.07 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.66 2k3k n GLN 33 N -4.49 0.03 -0.00 3.45 6.02 -0.33 -0.76 117.38 121.30 2k3k n GLN 33 Ca 0.01 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.37 2k3k n GLN 33 Cb 0.22 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 29.91 2k3k n GLN 33 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2k3k n PHE 34 N -1.63 0.00 0.00 1.08 3.72 -0.40 -4.89 117.46 115.35 2k3k n PHE 34 Ca 0.02 -0.34 0.00 0.00 -0.05 0.00 0.00 57.45 57.08 2k3k n PHE 34 Cb 0.12 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 -0.33 0.00 2.58 1.37 0.00 -0.98 -2.57 105.19 105.25 2k3k n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.88 -1.54 1.61 -0.06 0.06 -3.81 117.38 112.76 2k3k n GLN 36 Ca 0.00 0.84 -0.36 0.00 -2.00 0.00 0.00 57.00 55.48 2k3k n GLN 36 Cb 0.00 -0.68 0.09 0.00 -4.06 0.00 0.00 30.24 25.59 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 2.30 4.06 -0.00 1.69 5.41 -1.26 -0.99 119.36 130.56 2k3k n ILE 37 Ca 0.00 -0.42 -0.01 0.00 1.00 0.00 0.00 62.75 63.33 2k3k n ILE 37 Cb 0.00 -1.39 -0.01 0.00 -0.71 0.00 0.00 39.64 37.54 2k3k n ILE 37 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 2k3k n LEU 38 N -2.22 1.88 -3.61 1.39 7.94 0.84 -4.63 117.00 118.59 2k3k n LEU 38 Ca 0.15 -0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.94 2k3k n LEU 38 Cb 0.49 -0.02 -0.03 0.00 0.53 0.00 0.00 43.42 44.39 2k3k n LEU 38 CO 0.47 0.33 0.31 -0.62 -1.11 0.00 0.00 177.39 176.78 2k3k s ASP 39 N -3.73 -0.37 -0.02 1.96 2.15 -0.63 -4.98 116.67 111.05 2k3k s ASP 39 Ca -0.01 -0.28 -0.02 0.00 0.43 0.00 0.00 52.55 52.67 2k3k s ASP 39 Cb 0.00 0.58 0.00 0.00 -0.30 0.00 0.00 42.92 43.20 2k3k s ASP 39 CO 0.03 -1.01 0.06 -0.63 -0.17 0.00 0.00 175.17 173.45 2k3k s ILE 40 N -3.82 0.02 -0.10 4.11 1.01 -1.26 -0.51 121.20 120.65 2k3k s ILE 40 Ca 0.05 -0.15 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 2k3k s ILE 40 Cb -0.01 -0.14 0.05 0.00 0.01 0.00 0.00 42.46 42.37 2k3k s ILE 40 CO -0.08 -0.08 0.12 -0.69 0.00 0.00 0.00 174.94 174.21 2k3k s VAL 41 N -0.23 -0.19 0.28 2.92 1.01 -0.04 -4.99 120.40 119.15 2k3k s VAL 41 Ca -0.03 0.25 -0.06 0.00 0.00 0.00 0.00 61.98 62.15 2k3k s VAL 41 Cb -0.02 -0.33 -0.01 0.00 0.00 0.00 0.00 36.38 36.02 2k3k s VAL 41 CO 0.00 0.06 0.40 0.00 0.00 0.00 0.00 175.10 175.56 2k3k s ALA 42 N 2.23 0.48 0.03 5.51 0.00 -1.26 -0.72 121.76 128.03 2k3k s ALA 42 Ca 0.04 -1.32 -0.17 0.00 0.00 0.00 0.00 51.96 50.51 2k3k s ALA 42 Cb -0.13 1.18 0.03 0.00 0.00 0.00 0.00 23.12 24.20 2k3k s ALA 42 CO -0.06 -0.77 0.37 -1.17 0.00 0.00 0.00 175.76 174.12 2k3k s LEU 43 N -3.14 0.61 0.25 0.00 1.98 -1.26 -4.98 118.68 112.14 2k3k s LEU 43 Ca 0.29 -0.01 0.26 0.00 -2.89 0.00 0.00 54.13 51.78 2k3k s LEU 43 Cb 0.01 1.54 0.80 0.00 0.66 0.00 0.00 46.19 49.21 2k3k s LEU 43 CO 0.14 -0.60 1.76 0.11 -1.89 0.00 0.00 176.35 175.87 2k3k h LYS 44 N 3.27 0.00 -7.06 1.98 1.57 -1.96 -3.29 116.57 111.06 2k3k h LYS 44 Ca -0.31 0.00 -0.54 0.00 -1.87 0.00 0.00 60.65 57.93 2k3k h LYS 44 Cb 1.19 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.63 2k3k h LYS 44 CO 0.43 0.00 0.55 0.95 -0.57 0.00 0.00 179.45 180.81 2k3k s THR 45 N -3.15 2.29 0.32 -0.16 -4.23 -1.26 -4.68 115.64 104.76 2k3k s THR 45 Ca 0.09 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 60.88 2k3k s THR 45 Cb 0.11 -3.09 0.31 0.00 1.34 0.00 0.00 72.50 71.17 2k3k s THR 45 CO 0.57 -0.02 1.79 0.25 -0.54 0.00 0.00 174.62 176.68 2k3k h LEU 46 N 1.23 0.74 -2.09 4.79 5.85 -1.95 -0.65 115.31 123.24 2k3k h LEU 46 Ca -0.51 0.08 0.09 0.00 0.84 0.00 0.00 57.88 58.39 2k3k h LEU 46 Cb 1.30 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2k3k h LEU 46 CO 0.56 0.28 0.31 0.50 -0.34 0.00 0.00 178.44 179.76 2k3k h LYS 47 N 0.73 0.00 0.00 1.25 3.64 -1.92 -1.71 116.57 118.57 2k3k h LYS 47 Ca 0.56 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.94 2k3k h LYS 47 Cb 0.91 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 2k3k h LYS 47 CO -0.34 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.51 2k3k n MET 48 N -3.91 1.97 -1.19 1.90 2.81 -0.31 -4.60 117.12 113.79 2k3k n MET 48 Ca 0.05 -1.22 -0.20 0.00 -1.81 0.00 0.00 57.70 54.52 2k3k n MET 48 Cb 0.47 -0.97 -0.12 0.00 -0.71 0.00 0.00 33.22 31.89 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 -0.37 2.39 0.00 0.03 0.63 -0.64 -3.08 116.66 115.61 2k3k n ARG 49 Ca 0.00 -1.55 0.00 0.00 -0.92 0.00 0.00 57.85 55.38 2k3k n ARG 49 Cb 0.21 -2.14 0.00 0.00 0.45 0.00 0.00 32.46 30.97 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 2.19 0.04 3.09 5.14 0.00 -1.26 -4.40 105.19 110.00 2k3k n GLY 50 Ca 0.49 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.42 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 0.00 0.57 0.21 1.61 -2.07 -1.18 -1.16 119.66 117.64 2k3k s GLN 51 Ca 0.00 -0.88 -0.19 0.00 -1.82 0.00 0.00 55.36 52.47 2k3k s GLN 51 Cb 0.00 0.21 0.03 0.00 -1.09 0.00 0.00 33.01 32.16 2k3k s GLN 51 CO 0.00 -0.13 0.57 0.00 -1.32 0.00 0.00 175.29 174.41 2k3k s ALA 52 N -2.90 -1.04 0.12 2.60 0.00 -0.45 -4.57 121.76 115.52 2k3k s ALA 52 Ca -0.03 -0.18 0.10 0.00 0.00 0.00 0.00 51.96 51.85 2k3k s ALA 52 Cb 0.01 0.87 -0.04 0.00 0.00 0.00 0.00 23.12 23.96 2k3k s ALA 52 CO -0.06 -0.85 -0.24 -0.06 0.00 0.00 0.00 175.76 174.56 2k3k s PHE 53 N -3.87 2.04 -0.15 0.00 0.08 0.10 -0.84 117.98 115.34 2k3k s PHE 53 Ca 0.09 -0.40 -0.13 0.00 0.12 0.00 0.00 56.93 56.61 2k3k s PHE 53 Cb -0.02 -1.11 0.04 0.00 -0.57 0.00 0.00 43.02 41.36 2k3k s PHE 53 CO -0.02 0.27 0.39 0.54 -0.10 0.00 0.00 175.22 176.30 2k3k s VAL 54 N -1.12 -0.00 -0.03 -0.44 0.11 -1.01 -0.86 120.40 117.04 2k3k s VAL 54 Ca 0.10 0.01 0.05 0.00 -2.93 0.00 0.00 61.98 59.21 2k3k s VAL 54 Cb -0.10 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2k3k s VAL 54 CO 0.05 0.01 -0.16 -0.63 -3.33 0.00 0.00 175.10 171.03 2k3k s ILE 55 N 0.38 2.90 0.42 7.04 1.09 0.33 -1.26 121.20 132.10 2k3k s ILE 55 Ca -0.01 -0.83 0.04 0.00 -1.10 0.00 0.00 60.65 58.74 2k3k s ILE 55 Cb -0.04 -2.13 -0.04 0.00 -1.06 0.00 0.00 42.46 39.19 2k3k s ILE 55 CO -0.01 0.56 0.06 -0.36 -0.10 0.00 0.00 174.94 175.08 2k3k s PHE 56 N -0.74 1.97 0.22 3.97 0.40 -0.25 -0.12 117.98 123.43 2k3k s PHE 56 Ca 0.12 -1.01 -0.08 0.00 -0.60 0.00 0.00 56.93 55.36 2k3k s PHE 56 Cb -0.11 -1.42 0.33 0.00 0.51 0.00 0.00 43.02 42.33 2k3k s PHE 56 CO 0.01 0.05 1.75 -0.22 0.70 0.00 0.00 175.22 177.51 2k3k h LYS 57 N 1.73 0.44 -2.74 0.44 1.63 -1.16 -3.41 116.57 113.50 2k3k h LYS 57 Ca -0.41 -0.03 -0.05 0.00 -0.85 0.00 0.00 60.65 59.32 2k3k h LYS 57 Cb 1.27 -0.10 -0.15 0.00 -0.60 0.00 0.00 32.23 32.65 2k3k h LYS 57 CO 0.69 0.29 0.10 -2.00 -3.45 0.00 0.00 179.45 175.08 2k3k s GLU 58 N -6.07 1.10 0.38 1.90 2.12 -1.26 -5.06 118.70 111.82 2k3k s GLU 58 Ca -0.13 -0.24 0.05 0.00 0.36 0.00 0.00 54.97 55.01 2k3k s GLU 58 Cb 0.18 0.51 0.76 0.00 0.26 0.00 0.00 34.13 35.84 2k3k s GLU 58 CO 0.75 -0.42 2.02 -0.84 -0.54 0.00 0.00 175.26 176.24 2k3k h ILE 59 N 2.60 1.13 -0.24 -3.70 3.07 -1.89 0.18 117.51 118.66 2k3k h ILE 59 Ca -0.31 -0.30 -0.19 0.00 1.55 0.00 0.00 64.86 65.61 2k3k h ILE 59 Cb 1.23 0.48 0.00 0.00 -0.27 0.00 0.00 36.82 38.26 2k3k h ILE 59 CO 0.40 0.14 -0.60 1.23 -1.05 0.00 0.00 178.15 178.27 2k3k h GLY 60 N 0.68 0.89 1.09 0.16 0.00 -1.98 -1.42 103.07 102.49 2k3k h GLY 60 Ca 0.17 -1.09 -0.12 0.00 0.00 0.00 0.00 47.33 46.29 2k3k h GLY 60 CO -0.03 0.98 -0.13 1.76 0.00 0.00 0.00 176.54 179.11 2k3k h SER 61 N 0.61 1.01 -0.22 0.19 0.02 -1.70 -0.03 113.55 113.43 2k3k h SER 61 Ca -0.00 -0.36 0.03 0.00 -0.84 0.00 0.00 61.79 60.61 2k3k h SER 61 Cb 1.21 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 2k3k h SER 61 CO 0.13 1.14 0.06 0.00 -1.14 0.00 0.00 176.83 177.02 2k3k h ALA 62 N 0.91 0.24 -0.94 3.77 0.00 -0.95 -0.87 119.26 121.42 2k3k h ALA 62 Ca 0.13 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k3k h ALA 62 Cb 0.70 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 2k3k h ALA 62 CO 0.05 -0.36 0.62 0.77 0.00 0.00 0.00 179.25 180.32 2k3k h SER 63 N 0.15 1.08 -0.39 0.00 0.02 -0.90 -0.78 113.55 112.74 2k3k h SER 63 Ca 0.10 -0.03 -0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2k3k h SER 63 Cb 0.08 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 2k3k h SER 63 CO -0.12 0.79 -0.03 -1.13 -1.14 0.00 0.00 176.83 175.20 2k3k h ASN 64 N 1.27 0.70 0.06 3.07 -1.24 -0.64 -0.25 115.58 118.56 2k3k h ASN 64 Ca 0.34 -0.33 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2k3k h ASN 64 Cb -0.14 -0.19 -0.01 0.00 0.73 0.00 0.00 38.32 38.72 2k3k h ASN 64 CO -0.07 0.86 -0.06 0.00 -1.29 0.00 0.00 177.43 176.87 2k3k h ALA 65 N 0.86 -0.12 -0.07 1.57 0.00 -0.89 -0.07 119.26 120.54 2k3k h ALA 65 Ca 0.11 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.04 2k3k h ALA 65 Cb 0.52 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.34 2k3k h ALA 65 CO 0.03 -0.57 -0.28 1.25 0.00 0.00 0.00 179.25 179.67 2k3k h LEU 66 N -0.14 -0.85 -0.13 0.00 6.46 -1.01 -0.85 115.31 118.79 2k3k h LEU 66 Ca 0.00 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.88 2k3k h LEU 66 Cb 0.13 0.36 -0.01 0.00 -0.73 0.00 0.00 40.66 40.41 2k3k h LEU 66 CO -0.02 -0.34 0.07 -0.09 -0.62 0.00 0.00 178.44 177.45 2k3k h ARG 67 N -0.38 0.18 0.00 1.25 2.43 -0.91 -0.74 114.38 116.21 2k3k h ARG 67 Ca 0.08 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.14 2k3k h ARG 67 Cb 0.51 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 2k3k h ARG 67 CO -0.29 0.20 -0.44 1.15 -1.51 0.00 0.00 179.97 179.08 2k3k h THR 68 N 0.12 1.09 0.00 0.20 2.02 -0.74 -3.24 112.91 112.35 2k3k h THR 68 Ca 0.05 -1.66 0.00 0.00 0.77 0.00 0.00 66.41 65.57 2k3k h THR 68 Cb 0.07 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2k3k h THR 68 CO -0.01 0.43 -1.58 0.23 0.37 0.00 0.00 175.52 174.97 2k3k n MET 69 N -3.67 0.50 -1.75 6.66 2.81 -0.35 -4.79 117.12 116.53 2k3k n MET 69 Ca -0.01 -0.12 -0.42 0.00 -1.81 0.00 0.00 57.70 55.35 2k3k n MET 69 Cb 0.52 -1.48 -0.01 0.00 -0.71 0.00 0.00 33.22 31.54 2k3k n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2k3k n GLN 70 N -1.95 2.62 -0.11 0.03 10.64 -0.29 -1.68 117.38 126.63 2k3k n GLN 70 Ca -0.01 0.92 0.00 0.00 -1.83 0.00 0.00 57.00 56.08 2k3k n GLN 70 Cb 0.46 -2.66 0.00 0.00 -0.86 0.00 0.00 30.24 27.18 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2k3k n GLY 71 N 1.30 2.22 3.74 2.61 0.00 0.26 -4.91 105.19 110.41 2k3k n GLY 71 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.71 3.09 -1.25 1.61 5.36 -0.68 -4.22 117.98 119.18 2k3k s PHE 72 Ca 0.00 1.09 -0.19 0.00 -0.96 0.00 0.00 56.93 56.87 2k3k s PHE 72 Cb 0.00 -3.75 0.01 0.00 -0.34 0.00 0.00 43.02 38.94 2k3k s PHE 72 CO 0.00 -2.41 1.85 -0.35 -1.46 0.00 0.00 175.22 172.86 2k3k n PRO 73 N 2.40 2.59 -0.22 10.12 -0.04 -1.26 -0.85 135.00 147.75 2k3k n PRO 73 Ca 0.06 -2.90 -0.08 0.00 -0.04 0.00 0.00 63.50 60.54 2k3k n PRO 73 Cb 0.41 -3.52 0.03 0.00 -0.04 0.00 0.00 33.50 30.38 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 8.09 1.03 -1.40 0.54 3.57 -1.84 -3.29 116.94 123.64 2k3k h PHE 74 Ca 0.39 -0.13 -0.44 0.00 3.53 0.00 0.00 57.97 61.32 2k3k h PHE 74 Cb 0.86 -0.29 -0.32 0.00 2.79 0.00 0.00 35.95 38.99 2k3k h PHE 74 CO 1.36 0.88 -0.94 0.66 -2.23 0.00 0.00 178.31 178.03 2k3k n TYR 75 N -4.33 -1.07 0.00 0.41 4.01 -1.26 -4.96 117.16 109.97 2k3k n TYR 75 Ca 0.03 -3.13 0.00 0.00 -0.16 0.00 0.00 57.90 54.64 2k3k n TYR 75 Cb 0.25 0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.03 0.00 -4.70 7.72 2.03 -1.24 -4.70 116.55 116.69 2k3k n ASP 76 Ca 0.18 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.07 2k3k n ASP 76 Cb 0.60 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.00 4.29 -0.04 -0.67 -0.14 -1.26 -4.75 119.74 117.17 2k3k s LYS 77 Ca 0.00 2.05 -0.30 0.00 -1.36 0.00 0.00 55.97 56.36 2k3k s LYS 77 Cb 0.00 -3.43 -0.05 0.00 -1.68 0.00 0.00 37.83 32.67 2k3k s LYS 77 CO 0.00 -0.53 1.54 -1.25 -0.76 0.00 0.00 175.35 174.35 2k3k s PRO 78 N 1.84 4.22 0.60 -1.68 0.04 -1.26 -2.51 135.00 136.25 2k3k s PRO 78 Ca 0.65 2.09 -0.20 0.00 0.04 0.00 0.00 61.00 63.58 2k3k s PRO 78 Cb -0.35 -3.80 -0.03 0.00 0.04 0.00 0.00 34.50 30.36 2k3k s PRO 78 CO 0.29 -0.75 1.32 -1.33 0.04 0.00 0.00 177.00 176.58 2k3k n MET 79 N 6.42 1.37 -4.71 4.56 2.81 -0.03 -4.77 117.12 122.78 2k3k n MET 79 Ca 0.16 0.52 -0.27 0.00 -1.81 0.00 0.00 57.70 56.30 2k3k n MET 79 Cb 0.43 -2.56 -0.17 0.00 -0.71 0.00 0.00 33.22 30.22 2k3k n MET 79 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 2k3k s GLN 80 N -3.16 2.04 0.00 0.03 -0.21 -1.26 -0.57 119.66 116.53 2k3k s GLN 80 Ca 0.78 -0.53 -0.04 0.00 0.02 0.00 0.00 55.36 55.60 2k3k s GLN 80 Cb -0.40 -1.64 -0.01 0.00 1.00 0.00 0.00 33.01 31.97 2k3k s GLN 80 CO 0.44 0.05 0.06 0.42 -2.12 0.00 0.00 175.29 174.14 2k3k s ILE 81 N 0.63 0.08 0.23 1.08 1.01 -1.26 -0.60 121.20 122.37 2k3k s ILE 81 Ca -0.15 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 59.80 2k3k s ILE 81 Cb -0.16 -0.31 -0.02 0.00 0.01 0.00 0.00 42.46 41.98 2k3k s ILE 81 CO 0.04 -0.36 0.29 0.00 0.00 0.00 0.00 174.94 174.92 2k3k s ALA 82 N -1.15 0.63 0.40 9.38 0.00 -0.21 -5.01 121.76 125.80 2k3k s ALA 82 Ca -0.13 -1.39 -0.24 0.00 0.00 0.00 0.00 51.96 50.20 2k3k s ALA 82 Cb -0.07 1.25 -0.09 0.00 0.00 0.00 0.00 23.12 24.21 2k3k s ALA 82 CO 0.00 -0.71 1.05 1.52 0.00 0.00 0.00 175.76 177.63 2k3k s TYR 83 N -3.99 3.26 -0.60 0.00 1.13 -1.26 -0.42 117.35 115.46 2k3k s TYR 83 Ca 0.32 1.64 0.26 0.00 -1.41 0.00 0.00 57.07 57.88 2k3k s TYR 83 Cb 0.03 -3.13 0.84 0.00 -1.10 0.00 0.00 41.96 38.60 2k3k s TYR 83 CO 0.12 -0.65 1.76 0.66 -2.51 0.00 0.00 175.55 174.93 2k3k h SER 84 N 2.49 0.00 -0.31 -0.18 4.64 -1.74 -3.37 113.55 115.07 2k3k h SER 84 Ca -0.48 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 60.93 2k3k h SER 84 Cb 1.22 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.29 2k3k h SER 84 CO 0.62 0.00 0.23 0.50 -0.87 0.00 0.00 176.83 177.31 2k3k h LYS 85 N 0.00 0.00 -2.09 4.77 3.64 -1.93 -2.63 116.57 118.34 2k3k h LYS 85 Ca 0.00 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 2k3k h LYS 85 Cb 0.65 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2k3k h LYS 85 CO 0.00 0.00 -0.10 -1.13 -2.27 0.00 0.00 179.45 175.95 2k3k n SER 86 N -4.38 4.31 -0.14 4.20 3.41 -1.26 -4.73 113.62 115.02 2k3k n SER 86 Ca 0.05 -2.22 -0.04 0.00 -0.26 0.00 0.00 58.87 56.40 2k3k n SER 86 Cb 0.40 -1.03 0.03 0.00 -0.26 0.00 0.00 64.21 63.35 2k3k n SER 86 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 2k3k h ASP 87 N 2.48 -0.43 0.17 4.04 3.58 -1.81 -0.83 116.42 123.62 2k3k h ASP 87 Ca 0.07 0.14 -0.05 0.00 0.42 0.00 0.00 57.03 57.60 2k3k h ASP 87 Cb 1.01 0.28 -0.01 0.00 1.72 0.00 0.00 39.33 42.33 2k3k h ASP 87 CO 0.13 -0.15 -0.22 0.28 -2.88 0.00 0.00 179.24 176.40 2k3k h SER 88 N -0.00 0.09 -0.04 2.28 0.02 -1.85 -0.72 113.55 113.33 2k3k h SER 88 Ca 0.22 -0.02 -0.06 0.00 -0.84 0.00 0.00 61.79 61.09 2k3k h SER 88 Cb 0.33 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2k3k h SER 88 CO -0.47 0.32 -0.21 -0.78 -1.14 0.00 0.00 176.83 174.55 2k3k h ASP 89 N 0.09 0.25 -0.14 3.07 3.58 -1.45 -0.92 116.42 120.90 2k3k h ASP 89 Ca 0.02 -0.67 -0.06 0.00 0.42 0.00 0.00 57.03 56.74 2k3k h ASP 89 Cb 0.44 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2k3k h ASP 89 CO 0.03 0.87 -0.09 0.16 -2.88 0.00 0.00 179.24 177.33 2k3k h ILE 90 N -0.36 1.22 -0.66 2.25 3.07 -1.22 -0.41 117.51 121.40 2k3k h ILE 90 Ca -0.01 -0.93 -0.07 0.00 1.55 0.00 0.00 64.86 65.40 2k3k h ILE 90 Cb 0.87 1.10 -0.03 0.00 -0.27 0.00 0.00 36.82 38.49 2k3k h ILE 90 CO 0.04 0.30 0.13 0.58 -1.05 0.00 0.00 178.15 178.16 2k3k h VAL 91 N 0.44 1.26 -0.09 0.16 2.07 -1.12 -1.13 116.25 117.84 2k3k h VAL 91 Ca 0.09 -0.99 -0.03 0.00 0.82 0.00 0.00 66.70 66.58 2k3k h VAL 91 Cb 0.43 0.63 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2k3k h VAL 91 CO 0.02 0.38 -0.10 0.00 0.02 0.00 0.00 177.57 177.89 2k3k h ALA 92 N 1.05 1.67 -0.09 1.67 0.00 -0.16 0.10 119.26 123.51 2k3k h ALA 92 Ca 0.20 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 2k3k h ALA 92 Cb 0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k3k h ALA 92 CO 0.01 0.25 -0.05 0.87 0.00 0.00 0.00 179.25 180.33 2k3k h LYS 93 N 0.13 0.19 0.00 0.00 1.79 -0.42 -3.07 116.57 115.19 2k3k h LYS 93 Ca 0.03 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.41 2k3k h LYS 93 Cb 0.27 -0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 2k3k h LYS 93 CO 0.02 0.56 -0.84 -0.84 -1.08 0.00 0.00 179.45 177.27 2k3k h ILE 94 N -0.19 0.03 0.00 1.86 3.07 -0.88 -3.42 117.51 117.97 2k3k h ILE 94 Ca 0.02 -1.05 0.00 0.00 1.55 0.00 0.00 64.86 65.38 2k3k h ILE 94 Cb 0.51 1.61 0.00 0.00 -0.27 0.00 0.00 36.82 38.67 2k3k h ILE 94 CO 0.01 0.01 -0.19 1.17 -1.05 0.00 0.00 178.15 178.11 2k3k n LYS 95 N -2.77 0.00 0.00 0.16 0.00 -0.01 -5.09 118.16 110.46 2k3k n LYS 95 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.31 2k3k n LYS 95 Cb 0.56 -0.41 0.00 0.00 0.00 0.00 0.00 35.03 35.18 2k3k n LYS 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2k3k n GLY 96 N 3.05 3.69 3.69 3.14 0.00 -1.10 -5.01 105.19 112.65 2k3k n GLY 96 Ca 0.00 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.05 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 4.25 -0.03 2.61 -1.04 -1.26 -4.50 114.28 114.30 2k3k n THR 97 Ca 0.00 -0.50 0.04 0.00 -2.04 0.00 0.00 64.05 61.55 2k3k n THR 97 Cb 0.00 -1.42 0.40 0.00 -1.82 0.00 0.00 70.33 67.49 2k3k n THR 97 CO 0.00 0.00 0.00 0.15 -0.64 0.00 0.00 175.07 174.58 2k3k h PHE 98 N 0.76 0.57 -2.85 -1.42 3.57 -1.86 -3.30 116.94 112.42 2k3k h PHE 98 Ca -0.50 0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.44 2k3k h PHE 98 Cb 1.34 -0.19 -0.16 0.00 2.79 0.00 0.00 35.95 39.72 2k3k h PHE 98 CO 0.41 0.36 -0.78 0.15 -2.23 0.00 0.00 178.31 176.22 2k3k s LYS 99 N -5.54 1.48 -1.27 1.11 -0.14 -1.26 -4.48 119.74 109.63 2k3k s LYS 99 Ca -0.09 -1.58 -0.17 0.00 -1.36 0.00 0.00 55.97 52.77 2k3k s LYS 99 Cb 0.18 -1.57 0.10 0.00 -1.68 0.00 0.00 37.83 34.85 2k3k s LYS 99 CO 0.74 0.31 1.65 -2.00 -0.76 0.00 0.00 175.35 175.29 2k3k s GLU 100 N -3.13 4.01 0.13 1.68 2.12 -1.26 -4.88 118.70 117.36 2k3k s GLU 100 Ca 0.23 -2.13 0.05 0.00 0.36 0.00 0.00 54.97 53.47 2k3k s GLU 100 Cb -0.05 -5.41 -0.04 0.00 0.26 0.00 0.00 34.13 28.89 2k3k s GLU 100 CO 0.10 -2.13 -0.12 1.03 -0.54 0.00 0.00 175.26 173.61 2k3k s ARG 101 N 3.54 1.03 0.13 4.30 0.52 -1.26 -5.09 118.95 122.11 2k3k s ARG 101 Ca 0.51 -1.33 -0.30 0.00 -0.52 0.00 0.00 55.73 54.09 2k3k s ARG 101 Cb 0.02 -0.75 -0.07 0.00 0.52 0.00 0.00 34.95 34.66 2k3k s ARG 101 CO 0.05 0.12 1.58 -1.35 0.02 0.00 0.00 175.30 175.73 2k3k h PRO 102 N 3.19 -0.52 -0.18 3.54 0.11 -2.04 -3.36 132.00 132.74 2k3k h PRO 102 Ca -0.38 0.04 -0.20 0.00 0.11 0.00 0.00 66.00 65.57 2k3k h PRO 102 Cb 1.19 0.12 -0.27 0.00 0.11 0.00 0.00 31.00 32.15 2k3k h PRO 102 CO 0.56 -0.35 -0.69 1.63 -0.21 0.00 0.00 178.00 178.95 2k3k n LYS 103 N -5.44 1.29 0.00 1.05 5.02 -1.26 -5.04 118.16 113.78 2k3k n LYS 103 Ca -0.05 -2.21 0.00 0.00 -2.02 0.00 0.00 58.31 54.03 2k3k n LYS 103 Cb 0.37 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.93 2k3k n LYS 103 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05