#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 1.52 0.71 2.12 -1.05 -1.26 -5.16 118.70 115.57 2k3k s GLU 2 Ca 0.00 -1.31 -0.16 0.00 -0.15 0.00 0.00 54.97 53.35 2k3k s GLU 2 Cb 0.00 0.45 0.03 0.00 -0.44 0.00 0.00 34.13 34.16 2k3k s GLU 2 CO 0.00 -0.62 1.23 -1.64 0.95 0.00 0.00 175.26 175.18 2k3k s MET 3 N -4.01 2.24 0.17 -4.83 -1.94 -1.26 -5.05 119.30 104.62 2k3k s MET 3 Ca 0.25 1.84 0.05 0.00 -1.71 0.00 0.00 55.69 56.11 2k3k s MET 3 Cb 0.00 -1.84 -0.04 0.00 2.01 0.00 0.00 34.83 34.97 2k3k s MET 3 CO 0.10 -1.78 0.17 -0.51 -0.01 0.00 0.00 175.02 172.99 2k3k s LEU 4 N -4.95 3.92 0.31 -0.03 1.02 -1.26 -5.05 118.68 112.64 2k3k s LEU 4 Ca 0.76 -0.07 -0.28 0.00 0.02 0.00 0.00 54.13 54.56 2k3k s LEU 4 Cb -0.31 -2.51 -0.13 0.00 0.02 0.00 0.00 46.19 43.25 2k3k s LEU 4 CO 0.44 0.06 1.14 -2.65 0.02 0.00 0.00 176.35 175.36 2k3k n PRO 5 N -0.44 1.69 -3.58 1.29 -0.02 -1.26 -4.81 135.00 127.88 2k3k n PRO 5 Ca -0.08 0.59 -0.14 0.00 -2.02 0.00 0.00 63.50 61.85 2k3k n PRO 5 Cb 0.55 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.90 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 -0.42 -0.61 0.39 2.55 2.47 -1.26 -5.03 114.94 113.03 2k3k s ASN 6 Ca 0.58 0.89 0.28 0.00 0.42 0.00 0.00 52.86 55.02 2k3k s ASN 6 Cb -0.65 0.80 1.31 0.00 -1.45 0.00 0.00 41.25 41.27 2k3k s ASN 6 CO 0.60 -0.40 1.83 -0.61 -3.72 0.00 0.00 177.10 174.80 2k3k h GLN 7 N 3.64 0.00 -4.79 0.43 4.15 -1.86 -3.41 115.11 113.27 2k3k h GLN 7 Ca -0.26 0.00 -0.37 0.00 0.77 0.00 0.00 58.65 58.79 2k3k h GLN 7 Cb 1.15 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.58 2k3k h GLN 7 CO 0.24 0.00 -0.77 0.99 -1.93 0.00 0.00 178.83 177.36 2k3k s THR 8 N -3.57 0.74 0.20 2.39 2.01 -1.26 -1.45 115.64 114.69 2k3k s THR 8 Ca 0.00 -0.67 0.07 0.00 0.31 0.00 0.00 61.69 61.40 2k3k s THR 8 Cb 0.09 -0.67 -0.05 0.00 0.01 0.00 0.00 72.50 71.88 2k3k s THR 8 CO 0.36 0.02 -0.12 0.27 -0.69 0.00 0.00 174.62 174.45 2k3k s ILE 9 N -0.61 1.58 -0.09 1.82 -4.36 -0.52 -2.09 121.20 116.94 2k3k s ILE 9 Ca 0.00 -2.17 -0.00 0.00 -0.26 0.00 0.00 60.65 58.22 2k3k s ILE 9 Cb -0.06 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.64 2k3k s ILE 9 CO 0.00 -0.60 -0.05 -0.47 0.24 0.00 0.00 174.94 174.06 2k3k s TYR 10 N -3.07 1.12 -0.13 1.37 5.04 0.39 -1.82 117.35 120.24 2k3k s TYR 10 Ca 0.22 -0.47 -0.04 0.00 -2.44 0.00 0.00 57.07 54.34 2k3k s TYR 10 Cb 0.01 -1.01 -0.03 0.00 0.35 0.00 0.00 41.96 41.27 2k3k s TYR 10 CO 0.06 -0.40 -0.00 0.42 -1.34 0.00 0.00 175.55 174.28 2k3k s ILE 11 N 1.65 4.24 -0.03 3.14 1.01 0.32 -1.28 121.20 130.25 2k3k s ILE 11 Ca 0.02 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.46 2k3k s ILE 11 Cb -0.13 -2.84 0.06 0.00 0.01 0.00 0.00 42.46 39.57 2k3k s ILE 11 CO -0.06 0.53 1.03 -3.20 0.00 0.00 0.00 174.94 173.25 2k3k n ASN 12 N 2.95 0.48 -2.78 3.58 2.85 -0.09 -1.41 115.26 120.84 2k3k n ASN 12 Ca -0.18 -2.22 -0.02 0.00 -0.11 0.00 0.00 54.58 52.06 2k3k n ASN 12 Cb 0.53 -0.25 0.06 0.00 1.24 0.00 0.00 39.78 41.37 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 -0.29 0.87 -4.76 1.20 5.15 -1.19 -4.83 115.26 111.42 2k3k n ASN 13 Ca 0.03 -2.16 -0.40 0.00 -0.60 0.00 0.00 54.58 51.45 2k3k n ASN 13 Cb 0.69 -0.22 -0.05 0.00 -0.53 0.00 0.00 39.78 39.67 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 -3.76 4.55 0.01 1.20 1.43 -0.57 -4.74 118.68 116.80 2k3k s LEU 14 Ca 0.24 2.19 -0.30 0.00 -1.03 0.00 0.00 54.13 55.22 2k3k s LEU 14 Cb 0.36 -3.65 -0.05 0.00 0.03 0.00 0.00 46.19 42.88 2k3k s LEU 14 CO -0.05 -0.09 1.36 0.21 0.23 0.00 0.00 176.35 178.01 2k3k s ASN 15 N -0.98 6.89 0.56 2.29 3.84 -1.26 -4.46 114.94 121.83 2k3k s ASN 15 Ca 0.44 2.08 0.27 0.00 0.21 0.00 0.00 52.86 55.86 2k3k s ASN 15 Cb -0.30 -2.56 1.51 0.00 -0.55 0.00 0.00 41.25 39.34 2k3k s ASN 15 CO 0.38 -0.68 2.03 1.05 -2.79 0.00 0.00 177.10 177.10 2k3k h GLU 16 N 7.61 0.00 0.00 0.43 4.11 -1.93 -1.32 114.58 123.48 2k3k h GLU 16 Ca -0.38 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.05 2k3k h GLU 16 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 2k3k h GLU 16 CO 0.89 0.00 0.00 1.57 0.07 0.00 0.00 179.01 181.54 2k3k h LYS 17 N 0.00 0.00 -6.28 1.06 5.09 -1.91 -3.42 116.57 111.12 2k3k h LYS 17 Ca 0.16 0.00 -0.55 0.00 0.09 0.00 0.00 60.65 60.36 2k3k h LYS 17 Cb 0.77 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.10 2k3k h LYS 17 CO -0.00 0.00 1.13 0.42 -2.09 0.00 0.00 179.45 178.91 2k3k s ILE 18 N -3.92 3.45 0.44 0.07 -1.09 -0.50 -4.98 121.20 114.67 2k3k s ILE 18 Ca -0.02 0.54 -0.26 0.00 -2.23 0.00 0.00 60.65 58.68 2k3k s ILE 18 Cb 0.11 -3.36 -0.08 0.00 -1.58 0.00 0.00 42.46 37.55 2k3k s ILE 18 CO 0.45 -0.06 1.39 -0.75 -1.23 0.00 0.00 174.94 174.74 2k3k s LYS 19 N 4.23 3.78 0.51 2.79 2.20 -1.26 -4.87 119.74 127.11 2k3k s LYS 19 Ca 0.77 2.34 0.30 0.00 -0.36 0.00 0.00 55.97 59.02 2k3k s LYS 19 Cb -0.35 -2.69 1.02 0.00 -1.51 0.00 0.00 37.83 34.29 2k3k s LYS 19 CO 0.32 -0.71 1.86 0.87 -0.36 0.00 0.00 175.35 177.33 2k3k h LYS 20 N 2.45 0.00 -0.12 4.03 6.56 -1.93 0.07 116.57 127.62 2k3k h LYS 20 Ca -0.50 0.00 -0.11 0.00 -1.06 0.00 0.00 60.65 58.97 2k3k h LYS 20 Cb 1.26 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.91 2k3k h LYS 20 CO 0.62 0.00 -0.42 1.49 -2.06 0.00 0.00 179.45 179.07 2k3k h GLU 21 N 0.00 0.28 -0.16 3.15 4.81 -1.94 -0.48 114.58 120.23 2k3k h GLU 21 Ca 0.00 -0.14 -0.16 0.00 -0.13 0.00 0.00 59.36 58.94 2k3k h GLU 21 Cb 0.68 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2k3k h GLU 21 CO 0.00 0.66 -0.55 0.93 -0.73 0.00 0.00 179.01 179.31 2k3k h GLU 22 N 0.23 0.49 -0.16 1.92 4.39 -1.38 0.49 114.58 120.56 2k3k h GLU 22 Ca 0.02 -0.31 0.03 0.00 0.34 0.00 0.00 59.36 59.43 2k3k h GLU 22 Cb 0.85 0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.51 2k3k h GLU 22 CO 0.07 0.91 0.00 1.25 -1.16 0.00 0.00 179.01 180.09 2k3k h LEU 23 N 0.38 -0.06 0.13 1.33 7.12 -1.15 0.82 115.31 123.88 2k3k h LEU 23 Ca 0.01 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.06 2k3k h LEU 23 Cb 1.08 0.06 -0.02 0.00 -0.53 0.00 0.00 40.66 41.26 2k3k h LEU 23 CO 0.10 -0.00 -0.15 0.11 -0.13 0.00 0.00 178.44 178.36 2k3k h LYS 24 N 0.06 -0.31 -0.73 1.25 1.57 -0.76 -0.87 116.57 116.77 2k3k h LYS 24 Ca 0.08 0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.88 2k3k h LYS 24 Cb 0.09 0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.43 2k3k h LYS 24 CO -0.13 -0.21 0.48 0.87 -0.57 0.00 0.00 179.45 179.90 2k3k h LYS 25 N -0.32 0.97 -0.56 3.15 1.79 -0.79 -1.53 116.57 119.27 2k3k h LYS 25 Ca 0.01 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2k3k h LYS 25 Cb 0.32 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 2k3k h LYS 25 CO -0.06 0.65 0.22 0.77 -1.08 0.00 0.00 179.45 179.96 2k3k h SER 26 N 1.00 0.78 -0.01 0.86 0.02 -0.50 0.78 113.55 116.48 2k3k h SER 26 Ca 0.27 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k3k h SER 26 Cb -0.10 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.23 2k3k h SER 26 CO -0.06 0.74 0.01 -0.07 -1.14 0.00 0.00 176.83 176.30 2k3k h LEU 27 N 0.77 0.01 -1.74 5.07 3.38 -0.85 -1.04 115.31 120.90 2k3k h LEU 27 Ca 0.19 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2k3k h LEU 27 Cb 0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2k3k h LEU 27 CO -0.02 0.04 -0.11 1.88 0.09 0.00 0.00 178.44 180.33 2k3k h TYR 28 N -0.02 0.03 0.12 1.13 0.05 -1.01 -1.79 116.97 115.47 2k3k h TYR 28 Ca 0.00 -0.00 -0.23 0.00 0.05 0.00 0.00 58.73 58.55 2k3k h TYR 28 Cb 0.04 -0.01 0.02 0.00 1.01 0.00 0.00 36.73 37.79 2k3k h TYR 28 CO -0.07 0.14 -0.97 0.00 -1.05 0.00 0.00 178.16 176.21 2k3k h ALA 29 N 1.87 -0.04 0.00 3.88 0.00 -0.28 -3.38 119.26 121.31 2k3k h ALA 29 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.21 2k3k h ALA 29 Cb 0.21 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2k3k h ALA 29 CO 0.01 0.49 -0.80 0.44 0.00 0.00 0.00 179.25 179.40 2k3k n ILE 30 N -4.01 0.00 -0.13 0.00 -5.35 -0.45 -4.64 119.36 104.79 2k3k n ILE 30 Ca -0.13 0.00 0.02 0.00 -0.27 0.00 0.00 62.75 62.36 2k3k n ILE 30 Cb 0.87 -0.41 0.31 0.00 -1.74 0.00 0.00 39.64 38.67 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 0.78 -0.92 4.28 -1.00 -1.44 -1.40 116.94 117.25 2k3k h PHE 31 Ca 0.00 0.02 0.26 0.00 2.81 0.00 0.00 57.97 61.05 2k3k h PHE 31 Cb 0.80 -0.26 -0.04 0.00 3.61 0.00 0.00 35.95 40.05 2k3k h PHE 31 CO 0.00 0.50 0.65 0.77 -1.61 0.00 0.00 178.31 178.62 2k3k h SER 32 N 0.84 0.08 0.68 2.17 0.02 -1.50 0.96 113.55 116.80 2k3k h SER 32 Ca 0.23 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2k3k h SER 32 Cb -0.09 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.45 2k3k h SER 32 CO -0.05 0.03 0.00 0.00 -1.14 0.00 0.00 176.83 175.67 2k3k n GLN 33 N -4.32 0.00 0.00 3.45 6.02 -0.53 -3.14 117.38 118.87 2k3k n GLN 33 Ca 0.19 0.16 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2k3k n GLN 33 Cb 0.93 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.69 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 -1.51 0.00 -3.15 1.08 3.72 -0.19 -4.98 117.46 112.44 2k3k n PHE 34 Ca 0.05 0.00 0.04 0.00 -0.05 0.00 0.00 57.45 57.49 2k3k n PHE 34 Cb 0.23 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.76 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 -1.19 -1.05 0.27 1.37 0.00 0.16 -3.59 107.32 103.28 2k3k s GLY 35 Ca 0.00 1.63 -0.31 0.00 0.00 0.00 0.00 44.72 46.04 2k3k s GLY 35 CO 0.00 3.56 1.65 1.62 0.00 0.00 0.00 173.10 179.93 2k3k s GLN 36 N 2.86 4.11 0.77 2.90 -0.44 -1.19 -3.60 119.66 125.07 2k3k s GLN 36 Ca 0.16 2.61 -0.11 0.00 -2.50 0.00 0.00 55.36 55.52 2k3k s GLN 36 Cb -0.12 -3.03 0.05 0.00 -1.64 0.00 0.00 33.01 28.27 2k3k s GLN 36 CO -0.22 -0.69 1.09 0.42 0.50 0.00 0.00 175.29 176.38 2k3k s ILE 37 N 0.43 3.39 0.00 -2.34 -1.09 -1.26 -3.24 121.20 117.09 2k3k s ILE 37 Ca 0.68 0.45 0.00 0.00 -2.23 0.00 0.00 60.65 59.55 2k3k s ILE 37 Cb -0.49 -2.99 0.00 0.00 -1.58 0.00 0.00 42.46 37.40 2k3k s ILE 37 CO 0.42 -0.59 0.00 -0.11 -1.23 0.00 0.00 174.94 173.43 2k3k n LEU 38 N -3.48 1.61 -3.57 2.97 7.94 0.60 -4.50 117.00 118.57 2k3k n LEU 38 Ca 0.09 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.88 2k3k n LEU 38 Cb 0.53 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.46 2k3k n LEU 38 CO 0.54 0.27 0.37 -0.62 -1.11 0.00 0.00 177.39 176.84 2k3k s ASP 39 N -3.47 -0.43 0.00 1.96 2.15 -0.61 -4.97 116.67 111.29 2k3k s ASP 39 Ca 0.00 -0.21 0.00 0.00 0.43 0.00 0.00 52.55 52.77 2k3k s ASP 39 Cb 0.00 0.61 -0.00 0.00 -0.30 0.00 0.00 42.92 43.22 2k3k s ASP 39 CO 0.00 -1.04 -0.01 -0.63 -0.17 0.00 0.00 175.17 173.32 2k3k s ILE 40 N -3.80 0.08 -0.20 4.11 1.01 -1.26 -0.53 121.20 120.60 2k3k s ILE 40 Ca 0.04 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 2k3k s ILE 40 Cb -0.02 -0.10 0.07 0.00 0.01 0.00 0.00 42.46 42.42 2k3k s ILE 40 CO -0.08 -0.07 0.10 -0.69 0.00 0.00 0.00 174.94 174.20 2k3k s VAL 41 N -0.27 -0.09 0.01 2.92 1.01 0.16 -5.00 120.40 119.13 2k3k s VAL 41 Ca -0.02 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 2k3k s VAL 41 Cb -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 36.38 35.71 2k3k s VAL 41 CO -0.00 -0.37 0.16 0.00 0.00 0.00 0.00 175.10 174.89 2k3k s ALA 42 N 2.14 -0.37 0.05 5.51 0.00 -1.26 -1.09 121.76 126.73 2k3k s ALA 42 Ca 0.04 -0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.83 2k3k s ALA 42 Cb -0.16 0.13 -0.01 0.00 0.00 0.00 0.00 23.12 23.08 2k3k s ALA 42 CO -0.15 -0.24 0.10 -0.51 0.00 0.00 0.00 175.76 174.97 2k3k s LEU 43 N -1.49 1.80 0.00 0.00 1.43 -1.26 -4.97 118.68 114.19 2k3k s LEU 43 Ca -0.13 -0.61 0.29 0.00 -1.03 0.00 0.00 54.13 52.65 2k3k s LEU 43 Cb -0.06 0.65 1.30 0.00 0.03 0.00 0.00 46.19 48.11 2k3k s LEU 43 CO 0.01 -0.56 1.92 2.29 0.23 0.00 0.00 176.35 180.24 2k3k n LYS 44 N 0.52 0.46 -0.98 1.70 2.85 -1.26 -3.91 118.16 117.54 2k3k n LYS 44 Ca -0.18 -0.10 -0.32 0.00 -1.05 0.00 0.00 58.31 56.67 2k3k n LYS 44 Cb 0.60 -1.50 0.14 0.00 -0.65 0.00 0.00 35.03 33.61 2k3k n LYS 44 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2k3k s THR 45 N -2.61 2.26 0.38 0.58 -4.23 -1.26 -4.69 115.64 106.07 2k3k s THR 45 Ca 0.26 0.10 0.12 0.00 -1.18 0.00 0.00 61.69 60.98 2k3k s THR 45 Cb 0.20 -2.34 0.34 0.00 1.34 0.00 0.00 72.50 72.03 2k3k s THR 45 CO 0.49 -0.10 1.88 0.25 -0.54 0.00 0.00 174.62 176.60 2k3k h LEU 46 N -1.32 0.56 -1.89 4.79 6.46 -1.98 -0.97 115.31 120.96 2k3k h LEU 46 Ca -0.44 0.04 0.23 0.00 -0.12 0.00 0.00 57.88 57.58 2k3k h LEU 46 Cb 1.27 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 41.09 2k3k h LEU 46 CO 0.45 0.27 0.59 0.50 -0.62 0.00 0.00 178.44 179.64 2k3k h LYS 47 N 0.59 0.08 0.00 1.25 1.63 -1.92 -2.88 116.57 115.32 2k3k h LYS 47 Ca 0.43 -0.01 -0.04 0.00 -0.85 0.00 0.00 60.65 60.19 2k3k h LYS 47 Cb 0.82 -0.02 -0.09 0.00 -0.60 0.00 0.00 32.23 32.34 2k3k h LYS 47 CO -0.18 0.06 -0.53 -1.33 -3.45 0.00 0.00 179.45 174.01 2k3k n MET 48 N -4.34 0.38 -0.36 1.90 2.81 -0.46 -4.89 117.12 112.17 2k3k n MET 48 Ca 0.17 -1.73 0.09 0.00 -1.81 0.00 0.00 57.70 54.41 2k3k n MET 48 Cb 0.85 -0.67 0.26 0.00 -0.71 0.00 0.00 33.22 32.95 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 0.32 0.91 0.00 0.03 9.65 -1.09 -2.97 114.38 121.23 2k3k h ARG 49 Ca -0.05 -0.05 -0.15 0.00 -1.10 0.00 0.00 59.98 58.62 2k3k h ARG 49 Cb 1.41 -0.21 -0.33 0.00 -1.39 0.00 0.00 29.97 29.45 2k3k h ARG 49 CO 0.02 0.60 -0.95 0.41 2.80 0.00 0.00 179.97 182.85 2k3k n GLY 50 N -1.34 1.28 3.16 2.80 0.00 -1.26 -4.19 105.19 105.64 2k3k n GLY 50 Ca 0.20 -0.82 -0.11 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.25 0.63 0.13 1.61 -2.07 -1.12 -1.51 119.66 117.07 2k3k s GLN 51 Ca 0.32 -0.52 -0.21 0.00 -1.82 0.00 0.00 55.36 53.12 2k3k s GLN 51 Cb 0.36 0.26 0.06 0.00 -1.09 0.00 0.00 33.01 32.60 2k3k s GLN 51 CO -0.15 -0.17 0.53 0.00 -1.32 0.00 0.00 175.29 174.18 2k3k s ALA 52 N -2.11 -1.37 0.06 2.60 0.00 -0.50 -4.60 121.76 115.84 2k3k s ALA 52 Ca -0.09 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2k3k s ALA 52 Cb -0.03 0.74 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 2k3k s ALA 52 CO -0.01 -0.69 -0.08 -0.59 0.00 0.00 0.00 175.76 174.39 2k3k s PHE 53 N -3.53 0.78 -0.10 0.00 -0.12 -0.25 -0.52 117.98 114.24 2k3k s PHE 53 Ca 0.00 -0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 56.17 2k3k s PHE 53 Cb -0.00 -0.46 0.03 0.00 -0.63 0.00 0.00 43.02 41.96 2k3k s PHE 53 CO -0.11 -0.09 0.27 0.54 -0.05 0.00 0.00 175.22 175.78 2k3k s VAL 54 N -2.07 -0.00 -0.06 -2.49 0.11 -0.76 -0.67 120.40 114.46 2k3k s VAL 54 Ca -0.03 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 2k3k s VAL 54 Cb -0.05 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.39 2k3k s VAL 54 CO -0.01 0.00 -0.11 -0.63 -3.33 0.00 0.00 175.10 171.02 2k3k s ILE 55 N 0.22 3.33 0.39 7.04 1.09 0.31 -1.43 121.20 132.14 2k3k s ILE 55 Ca -0.01 -0.62 0.06 0.00 -1.10 0.00 0.00 60.65 58.98 2k3k s ILE 55 Cb -0.02 -2.33 -0.07 0.00 -1.06 0.00 0.00 42.46 38.98 2k3k s ILE 55 CO -0.00 0.59 0.03 -0.36 -0.10 0.00 0.00 174.94 175.10 2k3k s PHE 56 N -0.76 2.30 0.27 3.97 0.40 -0.53 -0.29 117.98 123.34 2k3k s PHE 56 Ca 0.12 -0.79 0.13 0.00 -0.60 0.00 0.00 56.93 55.79 2k3k s PHE 56 Cb -0.11 -1.61 0.50 0.00 0.51 0.00 0.00 43.02 42.30 2k3k s PHE 56 CO 0.01 0.29 1.68 0.87 0.70 0.00 0.00 175.22 178.77 2k3k h LYS 57 N 1.83 0.00 -3.55 0.44 1.57 -1.78 -3.42 116.57 111.67 2k3k h LYS 57 Ca -0.43 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 2k3k h LYS 57 Cb 1.25 0.00 -0.18 0.00 0.08 0.00 0.00 32.23 33.38 2k3k h LYS 57 CO 0.77 0.52 -0.40 -1.21 -0.57 0.00 0.00 179.45 178.56 2k3k s GLU 58 N -3.71 0.68 0.38 3.15 2.02 -1.26 -5.06 118.70 114.89 2k3k s GLU 58 Ca -0.01 -0.61 0.06 0.00 0.02 0.00 0.00 54.97 54.43 2k3k s GLU 58 Cb 0.13 0.28 0.75 0.00 0.10 0.00 0.00 34.13 35.38 2k3k s GLU 58 CO 0.74 -0.19 1.97 -0.84 0.02 0.00 0.00 175.26 176.96 2k3k h ILE 59 N 3.52 1.15 -0.24 -1.63 3.07 -1.89 -1.66 117.51 119.84 2k3k h ILE 59 Ca -0.32 -0.49 -0.06 0.00 1.55 0.00 0.00 64.86 65.54 2k3k h ILE 59 Cb 1.19 0.74 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 2k3k h ILE 59 CO 0.48 0.18 -0.11 1.23 -1.05 0.00 0.00 178.15 178.88 2k3k h GLY 60 N 0.69 0.53 0.99 0.16 0.00 -1.97 -0.40 103.07 103.07 2k3k h GLY 60 Ca 0.12 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.98 2k3k h GLY 60 CO -0.01 0.43 0.32 1.76 0.00 0.00 0.00 176.54 179.04 2k3k h SER 61 N 0.21 0.62 -0.31 0.19 0.02 -1.82 0.30 113.55 112.75 2k3k h SER 61 Ca 0.05 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k3k h SER 61 Cb 0.60 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.97 2k3k h SER 61 CO 0.03 0.49 0.20 0.00 -1.14 0.00 0.00 176.83 176.41 2k3k h ALA 62 N 1.16 0.40 -0.46 3.77 0.00 -1.20 -0.63 119.26 122.30 2k3k h ALA 62 Ca 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2k3k h ALA 62 Cb -0.02 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k3k h ALA 62 CO -0.04 -0.13 0.23 1.03 0.00 0.00 0.00 179.25 180.34 2k3k h SER 63 N 0.42 0.59 -0.51 0.00 0.87 -0.70 -0.46 113.55 113.76 2k3k h SER 63 Ca 0.11 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.50 2k3k h SER 63 Cb -0.03 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 2k3k h SER 63 CO -0.02 0.55 0.12 -1.13 -0.53 0.00 0.00 176.83 175.81 2k3k h ASN 64 N 0.60 0.78 0.26 6.23 -1.24 -0.73 0.33 115.58 121.82 2k3k h ASN 64 Ca 0.16 -0.24 0.00 0.00 0.71 0.00 0.00 56.30 56.93 2k3k h ASN 64 Cb 0.10 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 38.93 2k3k h ASN 64 CO -0.02 0.82 -0.27 0.00 -1.29 0.00 0.00 177.43 176.67 2k3k h ALA 65 N 1.00 -0.55 0.20 1.57 0.00 -0.97 -0.99 119.26 119.51 2k3k h ALA 65 Ca 0.16 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.00 2k3k h ALA 65 Cb 0.34 0.39 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2k3k h ALA 65 CO 0.00 -0.85 -0.47 1.25 0.00 0.00 0.00 179.25 179.19 2k3k h LEU 66 N -0.57 -1.38 -0.78 0.00 6.46 -0.72 -0.65 115.31 117.68 2k3k h LEU 66 Ca -0.01 0.14 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 2k3k h LEU 66 Cb 0.53 0.50 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 2k3k h LEU 66 CO -0.07 -0.55 -0.48 0.03 -0.62 0.00 0.00 178.44 176.75 2k3k h ARG 67 N -0.76 0.00 -0.26 1.25 3.08 -0.92 0.11 114.38 116.88 2k3k h ARG 67 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 2k3k h ARG 67 Cb 0.75 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.79 2k3k h ARG 67 CO -0.22 0.48 -0.38 1.15 -1.07 0.00 0.00 179.97 179.94 2k3k h THR 68 N 0.00 1.31 0.00 2.04 2.02 -1.02 -3.33 112.91 113.93 2k3k h THR 68 Ca -0.00 -1.57 0.00 0.00 0.77 0.00 0.00 66.41 65.60 2k3k h THR 68 Cb 1.03 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 69.13 2k3k h THR 68 CO 0.06 0.50 -0.55 0.23 0.37 0.00 0.00 175.52 176.14 2k3k n MET 69 N -4.21 0.05 -1.68 6.66 2.81 -0.26 -4.74 117.12 115.76 2k3k n MET 69 Ca -0.05 0.01 -0.49 0.00 -1.81 0.00 0.00 57.70 55.37 2k3k n MET 69 Cb 0.53 -1.53 -0.05 0.00 -0.71 0.00 0.00 33.22 31.46 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 -1.61 2.01 -0.91 0.03 -0.06 0.32 -1.08 117.38 116.09 2k3k n GLN 70 Ca 0.05 0.73 0.00 0.00 -2.00 0.00 0.00 57.00 55.78 2k3k n GLN 70 Cb 0.35 -2.54 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 4.08 0.48 3.77 1.69 0.00 -0.66 -4.95 105.19 109.60 2k3k n GLY 71 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.28 2.96 -1.28 1.61 5.36 -0.24 -4.40 117.98 119.70 2k3k s PHE 72 Ca 0.00 1.49 -0.19 0.00 -0.96 0.00 0.00 56.93 57.28 2k3k s PHE 72 Cb 0.00 -3.51 0.03 0.00 -0.34 0.00 0.00 43.02 39.19 2k3k s PHE 72 CO 0.00 -1.66 1.83 -0.35 -1.46 0.00 0.00 175.22 173.58 2k3k n PRO 73 N 0.09 2.79 -0.19 10.12 -0.04 -1.26 -0.73 135.00 145.79 2k3k n PRO 73 Ca 0.04 -3.01 -0.05 0.00 -0.04 0.00 0.00 63.50 60.44 2k3k n PRO 73 Cb 0.45 -3.51 0.13 0.00 -0.04 0.00 0.00 33.50 30.53 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 7.87 1.01 -0.62 0.54 3.57 -1.92 -3.46 116.94 123.93 2k3k h PHE 74 Ca 0.41 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.81 2k3k h PHE 74 Cb 0.86 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2k3k h PHE 74 CO 1.38 0.82 0.00 0.66 -2.23 0.00 0.00 178.31 178.94 2k3k n TYR 75 N -4.26 0.00 0.03 0.41 4.01 -1.26 -5.01 117.16 111.08 2k3k n TYR 75 Ca 0.05 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.79 2k3k n TYR 75 Cb 0.23 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.27 2k3k n TYR 75 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 2k3k n ASP 76 N 0.00 0.00 -3.94 7.72 5.75 -1.26 -4.42 116.55 120.39 2k3k n ASP 76 Ca 0.00 -0.03 -0.25 0.00 -0.01 0.00 0.00 54.79 54.50 2k3k n ASP 76 Cb 0.00 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 39.92 2k3k n ASP 76 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 2k3k s LYS 77 N -2.00 1.50 0.32 0.11 1.02 -1.26 -5.08 119.74 114.35 2k3k s LYS 77 Ca 0.00 -0.29 -0.29 0.00 0.02 0.00 0.00 55.97 55.42 2k3k s LYS 77 Cb 0.00 -1.44 -0.12 0.00 -0.52 0.00 0.00 37.83 35.75 2k3k s LYS 77 CO 0.00 -0.15 1.40 -2.30 -0.92 0.00 0.00 175.35 173.39 2k3k n PRO 78 N 4.47 2.31 -1.94 -1.68 -0.02 -1.26 -3.80 135.00 133.08 2k3k n PRO 78 Ca -0.17 0.81 -0.35 0.00 -2.02 0.00 0.00 63.50 61.77 2k3k n PRO 78 Cb 0.51 -2.47 0.04 0.00 -0.02 0.00 0.00 33.50 31.55 2k3k n PRO 78 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 2k3k s MET 79 N -1.41 2.89 -0.07 -0.52 -1.94 0.09 -4.82 119.30 113.52 2k3k s MET 79 Ca 0.59 1.75 -0.00 0.00 -1.71 0.00 0.00 55.69 56.32 2k3k s MET 79 Cb -0.55 -1.93 0.03 0.00 2.01 0.00 0.00 34.83 34.38 2k3k s MET 79 CO 0.58 -1.25 -0.03 -0.65 -0.01 0.00 0.00 175.02 173.66 2k3k s GLN 80 N -3.47 0.86 0.05 2.03 -1.52 -1.26 -1.65 119.66 114.69 2k3k s GLN 80 Ca 0.75 -0.03 0.01 0.00 -1.95 0.00 0.00 55.36 54.15 2k3k s GLN 80 Cb -0.29 -1.05 -0.03 0.00 -0.22 0.00 0.00 33.01 31.43 2k3k s GLN 80 CO 0.35 -0.22 -0.06 0.42 -0.25 0.00 0.00 175.29 175.53 2k3k s ILE 81 N 1.58 0.40 0.23 1.08 1.01 -1.26 -0.91 121.20 123.33 2k3k s ILE 81 Ca -0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 60.65 59.29 2k3k s ILE 81 Cb -0.13 -0.79 -0.01 0.00 0.01 0.00 0.00 42.46 41.54 2k3k s ILE 81 CO -0.04 -0.57 0.38 0.00 0.00 0.00 0.00 174.94 174.71 2k3k s ALA 82 N -2.07 0.11 0.39 9.38 0.00 -0.41 -5.00 121.76 124.17 2k3k s ALA 82 Ca -0.06 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.57 2k3k s ALA 82 Cb -0.05 1.13 -0.09 0.00 0.00 0.00 0.00 23.12 24.11 2k3k s ALA 82 CO -0.02 -0.78 1.18 1.52 0.00 0.00 0.00 175.76 177.66 2k3k s TYR 83 N -4.05 3.08 0.52 0.00 -0.85 -1.26 -0.46 117.35 114.33 2k3k s TYR 83 Ca 0.26 1.55 0.19 0.00 -0.52 0.00 0.00 57.07 58.55 2k3k s TYR 83 Cb 0.01 -3.41 1.35 0.00 0.38 0.00 0.00 41.96 40.29 2k3k s TYR 83 CO 0.09 -1.33 2.15 0.66 -1.52 0.00 0.00 175.55 175.59 2k3k h SER 84 N 2.74 0.00 0.00 -0.18 4.64 -1.69 -1.60 113.55 117.47 2k3k h SER 84 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 2k3k h SER 84 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2k3k h SER 84 CO 0.63 0.03 0.13 0.50 -0.87 0.00 0.00 176.83 177.25 2k3k h LYS 85 N 0.00 0.00 0.00 4.77 3.64 -1.92 -1.74 116.57 121.33 2k3k h LYS 85 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k3k h LYS 85 Cb 0.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.88 2k3k h LYS 85 CO 0.00 0.00 0.00 0.77 -2.27 0.00 0.00 179.45 177.95 2k3k h SER 86 N 0.00 0.00 -3.27 4.20 0.02 -1.67 -3.42 113.55 109.41 2k3k h SER 86 Ca 0.00 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.41 2k3k h SER 86 Cb 0.26 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.43 2k3k h SER 86 CO 0.00 0.00 -0.80 -0.62 -1.14 0.00 0.00 176.83 174.27 2k3k s ASP 87 N -4.81 2.60 0.51 3.07 -1.08 -0.65 -5.03 116.67 111.29 2k3k s ASP 87 Ca -0.03 -0.54 0.23 0.00 -0.52 0.00 0.00 52.55 51.70 2k3k s ASP 87 Cb 0.10 -0.89 1.39 0.00 -1.46 0.00 0.00 42.92 42.06 2k3k s ASP 87 CO 0.36 -0.16 2.09 0.28 0.52 0.00 0.00 175.17 178.26 2k3k h SER 88 N 8.14 0.00 0.16 -0.34 0.02 -1.85 -2.10 113.55 117.58 2k3k h SER 88 Ca -0.26 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.40 2k3k h SER 88 Cb 1.12 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.67 2k3k h SER 88 CO 0.40 0.11 -1.36 -0.78 -1.14 0.00 0.00 176.83 174.06 2k3k h ASP 89 N 0.00 0.54 0.12 3.07 3.58 -1.95 -0.36 116.42 121.41 2k3k h ASP 89 Ca -0.00 -0.91 -0.09 0.00 0.42 0.00 0.00 57.03 56.45 2k3k h ASP 89 Cb 0.24 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2k3k h ASP 89 CO 0.01 1.62 -0.32 0.16 -2.88 0.00 0.00 179.24 177.83 2k3k h ILE 90 N -0.15 1.28 -0.61 2.25 3.07 -1.91 -0.96 117.51 120.47 2k3k h ILE 90 Ca -0.27 -1.33 0.01 0.00 1.55 0.00 0.00 64.86 64.82 2k3k h ILE 90 Cb 1.88 1.52 -0.03 0.00 -0.27 0.00 0.00 36.82 39.92 2k3k h ILE 90 CO 0.15 0.41 0.41 0.58 -1.05 0.00 0.00 178.15 178.64 2k3k h VAL 91 N 0.26 1.16 -0.75 0.16 2.07 -1.34 -0.70 116.25 117.12 2k3k h VAL 91 Ca 0.03 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.25 2k3k h VAL 91 Cb 0.70 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 2k3k h VAL 91 CO 0.05 0.15 0.42 0.00 0.02 0.00 0.00 177.57 178.22 2k3k h ALA 92 N 1.22 0.96 -0.15 1.67 0.00 -0.54 -0.05 119.26 122.37 2k3k h ALA 92 Ca 0.22 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.03 2k3k h ALA 92 Cb -0.09 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.39 2k3k h ALA 92 CO -0.05 0.46 0.09 0.87 0.00 0.00 0.00 179.25 180.62 2k3k h LYS 93 N 1.03 0.18 0.00 0.00 1.79 -0.69 -0.84 116.57 118.04 2k3k h LYS 93 Ca 0.26 -0.01 -0.10 0.00 -2.18 0.00 0.00 60.65 58.62 2k3k h LYS 93 Cb 0.02 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 2k3k h LYS 93 CO -0.04 0.12 -0.49 -0.84 -1.08 0.00 0.00 179.45 177.11 2k3k h ILE 94 N 0.19 1.13 -0.73 1.86 3.07 -0.90 -2.25 117.51 119.88 2k3k h ILE 94 Ca 0.06 -1.82 -0.00 0.00 1.55 0.00 0.00 64.86 64.65 2k3k h ILE 94 Cb -0.01 2.05 -0.04 0.00 -0.27 0.00 0.00 36.82 38.55 2k3k h ILE 94 CO -0.03 0.48 0.44 0.11 -1.05 0.00 0.00 178.15 178.11 2k3k h LYS 95 N 0.00 0.99 0.00 0.16 1.79 -0.77 -3.47 116.57 115.27 2k3k h LYS 95 Ca -0.00 -0.09 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 2k3k h LYS 95 Cb 1.01 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 31.45 2k3k h LYS 95 CO 0.06 0.70 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 2k3k n GLY 96 N -1.19 0.68 3.11 3.86 0.00 -0.40 -5.09 105.19 106.16 2k3k n GLY 96 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.97 2k3k n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k3k s THR 97 N 0.00 -0.26 0.46 2.61 2.01 -0.70 -4.88 115.64 114.87 2k3k s THR 97 Ca 0.00 0.19 0.12 0.00 0.31 0.00 0.00 61.69 62.31 2k3k s THR 97 Cb 0.00 -0.49 0.28 0.00 0.01 0.00 0.00 72.50 72.30 2k3k s THR 97 CO 0.00 0.08 2.08 2.19 -0.69 0.00 0.00 174.62 178.28 2k3k h PHE 98 N 7.71 0.29 -0.08 4.92 -5.15 -1.89 -2.42 116.94 120.32 2k3k h PHE 98 Ca -0.27 0.01 -0.11 0.00 -0.20 0.00 0.00 57.97 57.40 2k3k h PHE 98 Cb 1.14 -0.10 -0.01 0.00 0.22 0.00 0.00 35.95 37.20 2k3k h PHE 98 CO 0.33 0.18 -0.44 -0.22 -2.00 0.00 0.00 178.31 176.16 2k3k h LYS 99 N 0.31 0.17 -7.03 6.09 3.64 -1.96 -3.45 116.57 114.34 2k3k h LYS 99 Ca 0.11 -0.08 -0.51 0.00 -1.27 0.00 0.00 60.65 58.90 2k3k h LYS 99 Cb 0.08 -0.00 0.07 0.00 -0.41 0.00 0.00 32.23 31.97 2k3k h LYS 99 CO -0.02 0.58 0.47 -2.00 -2.27 0.00 0.00 179.45 176.21 2k3k s GLU 100 N -4.07 3.60 -0.05 1.90 2.56 -0.91 -4.95 118.70 116.78 2k3k s GLU 100 Ca -0.04 1.74 -0.30 0.00 0.00 0.00 0.00 54.97 56.37 2k3k s GLU 100 Cb 0.13 -2.27 -0.06 0.00 2.00 0.00 0.00 34.13 33.93 2k3k s GLU 100 CO 0.76 -0.67 1.78 0.50 -0.56 0.00 0.00 175.26 177.07 2k3k s ARG 101 N -2.89 4.07 0.18 4.30 3.52 -1.26 -4.88 118.95 121.99 2k3k s ARG 101 Ca 0.67 2.26 -0.08 0.00 -0.13 0.00 0.00 55.73 58.44 2k3k s ARG 101 Cb -0.27 -4.07 0.08 0.00 -1.56 0.00 0.00 34.95 29.12 2k3k s ARG 101 CO 0.33 -1.00 1.61 -1.00 -0.81 0.00 0.00 175.30 174.43 2k3k h PRO 102 N 10.29 0.99 -0.78 5.12 0.13 -1.92 -3.20 132.00 142.62 2k3k h PRO 102 Ca -0.42 -0.37 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2k3k h PRO 102 Cb 1.20 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2k3k h PRO 102 CO 0.96 1.04 0.00 1.63 -0.23 0.00 0.00 178.00 181.40 2k3k n LYS 103 N -4.14 2.14 0.00 0.86 5.02 -1.26 -4.86 118.16 115.92 2k3k n LYS 103 Ca 0.01 -0.97 0.03 0.00 -2.02 0.00 0.00 58.31 55.36 2k3k n LYS 103 Cb 0.41 -1.67 0.17 0.00 -0.02 0.00 0.00 35.03 33.91 2k3k n LYS 103 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51