#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 1.54 0.68 0.03 -1.05 -1.26 -5.16 118.70 113.47 2k3k s GLU 2 Ca 0.00 -1.30 -0.16 0.00 -0.15 0.00 0.00 54.97 53.36 2k3k s GLU 2 Cb 0.00 0.45 0.01 0.00 -0.44 0.00 0.00 34.13 34.16 2k3k s GLU 2 CO 0.00 -0.63 1.21 0.00 0.95 0.00 0.00 175.26 176.79 2k3k s MET 3 N -3.98 2.46 -0.22 -4.83 0.23 -1.26 -5.04 119.30 106.65 2k3k s MET 3 Ca 0.24 1.78 -0.10 0.00 -1.03 0.00 0.00 55.69 56.58 2k3k s MET 3 Cb -0.00 -1.87 -0.05 0.00 -1.53 0.00 0.00 34.83 31.38 2k3k s MET 3 CO 0.10 -1.60 0.13 -0.51 -2.03 0.00 0.00 175.02 171.11 2k3k s LEU 4 N -4.76 4.03 0.15 0.18 1.02 -1.26 -5.06 118.68 112.97 2k3k s LEU 4 Ca 0.75 0.11 -0.34 0.00 0.02 0.00 0.00 54.13 54.67 2k3k s LEU 4 Cb -0.30 -2.06 -0.15 0.00 0.02 0.00 0.00 46.19 43.70 2k3k s LEU 4 CO 0.41 0.10 1.43 -2.65 0.02 0.00 0.00 176.35 175.66 2k3k n PRO 5 N 4.04 1.69 -3.65 1.29 -0.02 -1.26 -4.79 135.00 132.30 2k3k n PRO 5 Ca -0.16 0.61 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 2k3k n PRO 5 Cb 0.52 -2.29 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 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 0.59 -0.31 0.47 2.55 3.84 -1.26 -5.03 114.94 115.79 2k3k s ASN 6 Ca 0.79 0.03 0.32 0.00 0.21 0.00 0.00 52.86 54.21 2k3k s ASN 6 Cb -0.79 0.43 1.47 0.00 -0.55 0.00 0.00 41.25 41.82 2k3k s ASN 6 CO 0.44 -0.67 1.96 -0.61 -2.79 0.00 0.00 177.10 175.43 2k3k h GLN 7 N 2.98 0.00 -6.62 0.43 4.15 -1.86 -3.42 115.11 110.77 2k3k h GLN 7 Ca -0.31 0.00 -0.68 0.00 0.77 0.00 0.00 58.65 58.43 2k3k h GLN 7 Cb 1.21 0.00 -0.19 0.00 0.21 0.00 0.00 27.48 28.71 2k3k h GLN 7 CO 0.43 0.00 -0.78 0.99 -1.93 0.00 0.00 178.83 177.54 2k3k s THR 8 N -3.66 3.00 0.19 2.39 2.01 -1.26 -1.53 115.64 116.77 2k3k s THR 8 Ca 0.00 -1.33 0.05 0.00 0.31 0.00 0.00 61.69 60.72 2k3k s THR 8 Cb 0.10 -2.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.20 2k3k s THR 8 CO 0.44 0.17 -0.09 0.27 -0.69 0.00 0.00 174.62 174.72 2k3k s ILE 9 N -1.10 1.30 -0.11 1.82 -4.36 -0.27 -2.28 121.20 116.19 2k3k s ILE 9 Ca 0.18 -2.09 -0.00 0.00 -0.26 0.00 0.00 60.65 58.47 2k3k s ILE 9 Cb -0.11 -2.03 0.03 0.00 1.25 0.00 0.00 42.46 41.60 2k3k s ILE 9 CO 0.10 -0.60 -0.07 -0.47 0.24 0.00 0.00 174.94 174.14 2k3k s TYR 10 N -3.25 1.45 -0.14 1.37 5.04 0.35 -2.10 117.35 120.07 2k3k s TYR 10 Ca 0.21 -0.72 -0.06 0.00 -2.44 0.00 0.00 57.07 54.06 2k3k s TYR 10 Cb 0.03 -1.21 -0.04 0.00 0.35 0.00 0.00 41.96 41.08 2k3k s TYR 10 CO 0.04 -0.51 0.06 0.42 -1.34 0.00 0.00 175.55 174.22 2k3k s ILE 11 N 1.72 4.79 0.00 3.14 1.01 -0.14 -1.05 121.20 130.67 2k3k s ILE 11 Ca 0.05 -0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.65 2k3k s ILE 11 Cb -0.13 -3.10 0.00 0.00 0.01 0.00 0.00 42.46 39.24 2k3k s ILE 11 CO -0.08 0.54 0.72 -3.20 0.00 0.00 0.00 174.94 172.92 2k3k n ASN 12 N 2.81 0.00 -2.81 3.58 2.85 0.12 -1.77 115.26 120.04 2k3k n ASN 12 Ca -0.18 -1.44 -0.01 0.00 -0.11 0.00 0.00 54.58 52.84 2k3k n ASN 12 Cb 0.53 -0.09 0.05 0.00 1.24 0.00 0.00 39.78 41.51 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 0.00 1.67 -4.77 1.20 5.15 -1.22 -4.82 115.26 112.46 2k3k n ASN 13 Ca 0.00 -2.08 -0.38 0.00 -0.60 0.00 0.00 54.58 51.51 2k3k n ASN 13 Cb 0.59 -0.48 -0.02 0.00 -0.53 0.00 0.00 39.78 39.34 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 -3.79 4.22 -0.27 1.20 0.20 -0.70 -4.55 118.68 114.98 2k3k s LEU 14 Ca 0.28 2.35 -0.29 0.00 0.69 0.00 0.00 54.13 57.16 2k3k s LEU 14 Cb 0.33 -3.99 -0.01 0.00 -0.43 0.00 0.00 46.19 42.09 2k3k s LEU 14 CO -0.04 -0.64 1.35 0.21 -0.29 0.00 0.00 176.35 176.94 2k3k s ASN 15 N -1.10 6.66 0.50 3.68 3.84 -1.26 -4.33 114.94 122.94 2k3k s ASN 15 Ca 0.56 1.33 0.32 0.00 0.21 0.00 0.00 52.86 55.29 2k3k s ASN 15 Cb -0.31 -2.54 1.75 0.00 -0.55 0.00 0.00 41.25 39.61 2k3k s ASN 15 CO 0.39 -1.07 1.98 1.05 -2.79 0.00 0.00 177.10 176.67 2k3k h GLU 16 N 9.38 0.00 0.00 0.43 4.11 -1.92 -2.02 114.58 124.56 2k3k h GLU 16 Ca -0.27 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.14 2k3k h GLU 16 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k3k h GLU 16 CO 1.02 0.00 -0.08 1.57 0.07 0.00 0.00 179.01 181.59 2k3k h LYS 17 N 0.00 0.00 -7.31 1.06 2.10 -1.91 -3.44 116.57 107.07 2k3k h LYS 17 Ca 0.00 0.00 -0.51 0.00 -2.00 0.00 0.00 60.65 58.14 2k3k h LYS 17 Cb 0.08 0.00 0.14 0.00 -0.90 0.00 0.00 32.23 31.55 2k3k h LYS 17 CO 0.00 0.08 0.31 0.42 -2.00 0.00 0.00 179.45 178.25 2k3k s ILE 18 N -4.33 3.19 0.22 0.07 -1.09 -0.76 -5.08 121.20 113.43 2k3k s ILE 18 Ca -0.04 0.39 0.06 0.00 -2.23 0.00 0.00 60.65 58.83 2k3k s ILE 18 Cb 0.14 -2.83 -0.05 0.00 -1.58 0.00 0.00 42.46 38.14 2k3k s ILE 18 CO 0.57 -0.51 -0.08 -0.75 -1.23 0.00 0.00 174.94 172.94 2k3k s LYS 19 N -4.88 1.35 0.19 2.79 2.20 -1.26 -4.92 119.74 115.20 2k3k s LYS 19 Ca 0.62 -1.64 -0.12 0.00 -0.36 0.00 0.00 55.97 54.46 2k3k s LYS 19 Cb -0.18 -0.91 0.17 0.00 -1.51 0.00 0.00 37.83 35.40 2k3k s LYS 19 CO 0.56 0.05 1.79 -0.22 -0.36 0.00 0.00 175.35 177.17 2k3k h LYS 20 N 2.49 0.53 -0.51 4.03 3.64 -1.93 0.14 116.57 124.96 2k3k h LYS 20 Ca -0.38 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2k3k h LYS 20 Cb 1.22 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.90 2k3k h LYS 20 CO 0.64 0.35 0.20 1.49 -2.27 0.00 0.00 179.45 179.87 2k3k h GLU 21 N 0.55 0.77 -0.30 1.90 4.81 -1.97 -0.49 114.58 119.84 2k3k h GLU 21 Ca 0.25 -0.14 -0.13 0.00 -0.13 0.00 0.00 59.36 59.20 2k3k h GLU 21 Cb 0.16 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 2k3k h GLU 21 CO -0.17 0.68 -0.36 0.93 -0.73 0.00 0.00 179.01 179.36 2k3k h GLU 22 N 0.69 0.67 0.22 1.92 4.39 -1.72 -0.51 114.58 120.24 2k3k h GLU 22 Ca 0.17 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2k3k h GLU 22 Cb 0.20 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.85 2k3k h GLU 22 CO -0.01 0.93 -0.12 1.25 -1.16 0.00 0.00 179.01 179.90 2k3k h LEU 23 N 0.56 -0.29 -0.15 1.33 7.12 -0.56 0.39 115.31 123.71 2k3k h LEU 23 Ca 0.06 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.09 2k3k h LEU 23 Cb 0.88 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 41.08 2k3k h LEU 23 CO 0.08 -0.20 0.07 0.50 -0.13 0.00 0.00 178.44 178.76 2k3k h LYS 24 N -0.31 0.16 -0.29 1.25 3.64 -0.87 -0.23 116.57 119.92 2k3k h LYS 24 Ca -0.02 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.41 2k3k h LYS 24 Cb 0.25 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 31.98 2k3k h LYS 24 CO 0.03 0.10 -0.10 -0.22 -2.27 0.00 0.00 179.45 177.00 2k3k h LYS 25 N 0.16 -0.04 -0.49 1.90 3.11 -1.03 -1.58 116.57 118.60 2k3k h LYS 25 Ca 0.06 0.00 -0.07 0.00 -2.81 0.00 0.00 60.65 57.83 2k3k h LYS 25 Cb 0.01 0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 2k3k h LYS 25 CO -0.04 -0.02 0.04 0.77 -2.81 0.00 0.00 179.45 177.39 2k3k h SER 26 N -0.04 0.81 -0.07 4.20 0.02 -0.32 0.73 113.55 118.89 2k3k h SER 26 Ca 0.14 -0.28 -0.00 0.00 -0.84 0.00 0.00 61.79 60.81 2k3k h SER 26 Cb 0.25 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2k3k h SER 26 CO -0.32 0.89 0.04 -0.07 -1.14 0.00 0.00 176.83 176.23 2k3k h LEU 27 N 0.70 0.08 -1.42 5.07 3.38 -0.88 -1.12 115.31 121.13 2k3k h LEU 27 Ca 0.14 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2k3k h LEU 27 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k3k h LEU 27 CO 0.02 0.12 -0.20 1.88 0.09 0.00 0.00 178.44 180.34 2k3k h TYR 28 N 0.04 0.13 -0.14 1.13 0.05 -1.14 -0.27 116.97 116.77 2k3k h TYR 28 Ca 0.02 -0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.66 2k3k h TYR 28 Cb 0.05 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 37.75 2k3k h TYR 28 CO -0.05 0.32 -0.47 0.00 -1.05 0.00 0.00 178.16 176.91 2k3k h ALA 29 N 1.68 0.94 0.00 3.88 0.00 -0.08 -3.39 119.26 122.30 2k3k h ALA 29 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.47 2k3k h ALA 29 Cb 0.43 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.13 2k3k h ALA 29 CO 0.03 0.65 -0.30 0.44 0.00 0.00 0.00 179.25 180.07 2k3k n ILE 30 N -3.98 0.00 -0.28 0.00 -5.35 -0.49 -4.74 119.36 104.52 2k3k n ILE 30 Ca -0.02 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.44 2k3k n ILE 30 Cb 0.53 -0.39 0.14 0.00 -1.74 0.00 0.00 39.64 38.18 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 1.11 -0.47 4.28 -1.00 -1.21 -1.12 116.94 118.54 2k3k h PHE 31 Ca 0.00 -0.02 0.03 0.00 2.81 0.00 0.00 57.97 60.79 2k3k h PHE 31 Cb 0.30 -0.36 -0.03 0.00 3.61 0.00 0.00 35.95 39.48 2k3k h PHE 31 CO 0.00 0.77 0.31 0.77 -1.61 0.00 0.00 178.31 178.55 2k3k h SER 32 N 1.14 0.46 0.00 2.17 0.02 -1.60 -1.53 113.55 114.21 2k3k h SER 32 Ca 0.29 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 2k3k h SER 32 Cb 0.03 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.46 2k3k h SER 32 CO -0.05 0.32 0.00 0.00 -1.14 0.00 0.00 176.83 175.96 2k3k n GLN 33 N -4.47 0.73 0.00 3.45 3.00 -0.43 -0.40 117.38 119.26 2k3k n GLN 33 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2k3k n GLN 33 Cb 0.14 -1.40 0.00 0.00 0.00 0.00 0.00 30.24 28.98 2k3k n GLN 33 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2k3k n PHE 34 N -0.90 0.00 0.00 1.08 3.72 -0.60 -4.94 117.46 115.82 2k3k n PHE 34 Ca 0.14 -0.33 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 2k3k n PHE 34 Cb 0.06 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 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 1.92 1.37 0.00 -0.83 -2.03 105.19 105.30 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 -0.33 -1.47 1.61 -0.06 0.47 -4.10 117.38 113.50 2k3k n GLN 36 Ca 0.00 0.31 -0.35 0.00 -2.00 0.00 0.00 57.00 54.96 2k3k n GLN 36 Cb 0.00 -0.49 0.09 0.00 -4.06 0.00 0.00 30.24 25.78 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 0.00 2.07 0.00 1.69 1.01 -1.26 -1.41 121.20 123.30 2k3k s ILE 37 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2k3k s ILE 37 Cb 0.00 -2.76 0.00 0.00 0.01 0.00 0.00 42.46 39.71 2k3k s ILE 37 CO 0.00 -0.02 0.00 -0.11 0.00 0.00 0.00 174.94 174.81 2k3k n LEU 38 N -2.52 2.29 -3.61 2.97 7.94 0.82 -4.58 117.00 120.31 2k3k n LEU 38 Ca 0.15 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.94 2k3k n LEU 38 Cb 0.49 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.41 2k3k n LEU 38 CO 0.47 0.38 0.27 -0.62 -1.11 0.00 0.00 177.39 176.79 2k3k s ASP 39 N -3.76 -0.34 0.01 1.96 2.15 -0.62 -4.98 116.67 111.08 2k3k s ASP 39 Ca 0.00 -0.28 0.01 0.00 0.43 0.00 0.00 52.55 52.71 2k3k s ASP 39 Cb 0.00 0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 43.16 2k3k s ASP 39 CO 0.00 -0.96 -0.04 -0.63 -0.17 0.00 0.00 175.17 173.37 2k3k s ILE 40 N -3.81 0.28 -0.28 4.11 1.01 -1.26 -0.40 121.20 120.85 2k3k s ILE 40 Ca 0.04 -0.53 -0.03 0.00 0.00 0.00 0.00 60.65 60.14 2k3k s ILE 40 Cb -0.00 -0.31 0.09 0.00 0.01 0.00 0.00 42.46 42.25 2k3k s ILE 40 CO -0.09 -0.17 0.10 -0.69 0.00 0.00 0.00 174.94 174.09 2k3k s VAL 41 N -0.70 0.37 0.18 2.92 1.01 -0.01 -4.98 120.40 119.19 2k3k s VAL 41 Ca -0.05 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 60.91 2k3k s VAL 41 Cb -0.05 -1.23 -0.02 0.00 0.00 0.00 0.00 36.38 35.08 2k3k s VAL 41 CO -0.00 -0.62 0.25 0.00 0.00 0.00 0.00 175.10 174.73 2k3k s ALA 42 N 1.89 0.29 0.14 5.51 0.00 -1.26 -1.34 121.76 126.99 2k3k s ALA 42 Ca 0.08 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.86 2k3k s ALA 42 Cb -0.17 0.98 -0.01 0.00 0.00 0.00 0.00 23.12 23.92 2k3k s ALA 42 CO -0.27 -0.64 0.22 -0.51 0.00 0.00 0.00 175.76 174.56 2k3k s LEU 43 N -3.02 1.21 0.00 0.00 1.43 -1.24 -5.00 118.68 112.06 2k3k s LEU 43 Ca 0.23 -0.91 0.25 0.00 -1.03 0.00 0.00 54.13 52.67 2k3k s LEU 43 Cb 0.04 0.98 1.29 0.00 0.03 0.00 0.00 46.19 48.53 2k3k s LEU 43 CO 0.04 -0.83 1.85 0.29 0.23 0.00 0.00 176.35 177.93 2k3k n LYS 44 N -0.16 0.37 -2.13 1.70 5.02 -1.26 -4.23 118.16 117.46 2k3k n LYS 44 Ca -0.08 0.05 -0.37 0.00 -2.02 0.00 0.00 58.31 55.88 2k3k n LYS 44 Cb 0.63 -1.50 0.01 0.00 -0.02 0.00 0.00 35.03 34.14 2k3k n LYS 44 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2k3k s THR 45 N -2.56 2.84 0.29 -0.18 -4.23 -1.26 -4.91 115.64 105.63 2k3k s THR 45 Ca 0.24 0.62 -0.01 0.00 -1.18 0.00 0.00 61.69 61.36 2k3k s THR 45 Cb 0.17 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.97 2k3k s THR 45 CO 0.39 -0.02 1.93 0.25 -0.54 0.00 0.00 174.62 176.63 2k3k h LEU 46 N 1.82 0.96 0.00 4.79 6.46 -1.96 -0.72 115.31 126.67 2k3k h LEU 46 Ca -0.50 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.25 2k3k h LEU 46 Cb 1.26 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 40.97 2k3k h LEU 46 CO 0.59 0.65 0.00 2.29 -0.62 0.00 0.00 178.44 181.35 2k3k n LYS 47 N -4.45 0.05 -0.51 1.25 2.85 -1.26 -0.97 118.16 115.12 2k3k n LYS 47 Ca 0.12 0.25 0.05 0.00 -1.05 0.00 0.00 58.31 57.69 2k3k n LYS 47 Cb 0.12 -1.50 0.08 0.00 -0.65 0.00 0.00 35.03 33.08 2k3k n LYS 47 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 177.40 176.02 2k3k n MET 48 N -1.29 0.66 0.00 -1.58 2.81 -0.31 -4.51 117.12 112.91 2k3k n MET 48 Ca 0.02 -2.01 0.00 0.00 -1.81 0.00 0.00 57.70 53.90 2k3k n MET 48 Cb 0.03 -0.93 0.00 0.00 -0.71 0.00 0.00 33.22 31.61 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 -0.58 1.04 0.10 0.03 1.74 -0.14 -3.60 116.66 115.25 2k3k n ARG 49 Ca 0.09 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.29 2k3k n ARG 49 Cb 0.74 -0.94 0.24 0.00 -1.02 0.00 0.00 32.46 31.48 2k3k n ARG 49 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2k3k h GLY 50 N 0.00 0.00 -2.78 -0.13 0.00 -1.46 -3.24 103.07 95.46 2k3k h GLY 50 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2k3k h GLY 50 CO 0.00 0.00 -0.18 -0.86 0.00 0.00 0.00 176.54 175.50 2k3k s GLN 51 N -3.17 1.19 0.23 4.80 -2.07 -1.26 -1.73 119.66 117.65 2k3k s GLN 51 Ca 0.07 -1.00 -0.22 0.00 -1.82 0.00 0.00 55.36 52.39 2k3k s GLN 51 Cb 0.11 0.43 0.05 0.00 -1.09 0.00 0.00 33.01 32.51 2k3k s GLN 51 CO 0.68 -0.46 0.86 0.00 -1.32 0.00 0.00 175.29 175.05 2k3k s ALA 52 N -3.91 -1.40 0.12 2.60 0.00 -0.73 -4.26 121.76 114.19 2k3k s ALA 52 Ca 0.12 -0.16 0.05 0.00 0.00 0.00 0.00 51.96 51.96 2k3k s ALA 52 Cb 0.02 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.83 2k3k s ALA 52 CO -0.03 -1.04 -0.12 -0.06 0.00 0.00 0.00 175.76 174.51 2k3k s PHE 53 N -3.32 1.25 -0.08 0.00 0.40 -0.45 -0.97 117.98 114.81 2k3k s PHE 53 Ca 0.13 -0.64 -0.20 0.00 -0.60 0.00 0.00 56.93 55.62 2k3k s PHE 53 Cb -0.04 -0.65 0.04 0.00 0.51 0.00 0.00 43.02 42.88 2k3k s PHE 53 CO 0.05 0.08 0.46 0.54 0.70 0.00 0.00 175.22 177.06 2k3k s VAL 54 N -2.55 0.02 0.00 -0.44 0.11 -0.89 -0.83 120.40 115.82 2k3k s VAL 54 Ca 0.10 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 59.02 2k3k s VAL 54 Cb -0.02 -0.74 -0.02 0.00 -1.53 0.00 0.00 36.38 34.07 2k3k s VAL 54 CO 0.01 -0.11 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.82 2k3k s ILE 55 N -0.78 1.77 0.42 7.04 1.09 0.46 -1.11 121.20 130.09 2k3k s ILE 55 Ca -0.09 -1.05 0.04 0.00 -1.10 0.00 0.00 60.65 58.45 2k3k s ILE 55 Cb -0.03 -1.49 -0.04 0.00 -1.06 0.00 0.00 42.46 39.84 2k3k s ILE 55 CO 0.05 0.41 0.05 -0.36 -0.10 0.00 0.00 174.94 174.99 2k3k s PHE 56 N -0.61 1.99 0.42 3.97 0.40 -0.58 -0.13 117.98 123.43 2k3k s PHE 56 Ca 0.09 -1.00 0.12 0.00 -0.60 0.00 0.00 56.93 55.54 2k3k s PHE 56 Cb -0.09 -1.43 0.89 0.00 0.51 0.00 0.00 43.02 42.90 2k3k s PHE 56 CO 0.00 0.06 1.95 0.87 0.70 0.00 0.00 175.22 178.80 2k3k h LYS 57 N 1.75 0.10 -3.22 0.44 1.79 -1.39 -3.41 116.57 112.64 2k3k h LYS 57 Ca -0.41 -0.02 -0.05 0.00 -2.18 0.00 0.00 60.65 57.99 2k3k h LYS 57 Cb 1.27 -0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 31.77 2k3k h LYS 57 CO 0.69 0.28 -0.01 -2.00 -1.08 0.00 0.00 179.45 177.33 2k3k s GLU 58 N -4.65 1.09 0.29 3.15 -6.30 -1.26 -5.05 118.70 105.97 2k3k s GLU 58 Ca -0.04 -0.58 0.01 0.00 -2.50 0.00 0.00 54.97 51.85 2k3k s GLU 58 Cb 0.15 0.49 0.44 0.00 0.00 0.00 0.00 34.13 35.22 2k3k s GLU 58 CO 0.71 -0.43 1.80 -0.84 0.02 0.00 0.00 175.26 176.52 2k3k h ILE 59 N 2.39 1.23 -0.23 -3.70 3.07 -1.89 -0.21 117.51 118.18 2k3k h ILE 59 Ca -0.33 -0.96 -0.16 0.00 1.55 0.00 0.00 64.86 64.96 2k3k h ILE 59 Cb 1.26 0.97 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2k3k h ILE 59 CO 0.44 0.33 -0.51 1.23 -1.05 0.00 0.00 178.15 178.59 2k3k h GLY 60 N 0.93 0.70 0.97 0.16 0.00 -1.96 -1.24 103.07 102.63 2k3k h GLY 60 Ca 0.12 -0.79 -0.09 0.00 0.00 0.00 0.00 47.33 46.57 2k3k h GLY 60 CO 0.02 0.71 -0.12 1.76 0.00 0.00 0.00 176.54 178.91 2k3k h SER 61 N 0.50 0.75 -0.39 0.19 0.02 -1.74 0.00 113.55 112.88 2k3k h SER 61 Ca 0.02 -0.38 0.04 0.00 -0.84 0.00 0.00 61.79 60.62 2k3k h SER 61 Cb 1.06 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.36 2k3k h SER 61 CO 0.10 0.96 0.18 0.00 -1.14 0.00 0.00 176.83 176.93 2k3k h ALA 62 N 0.82 0.48 -0.85 3.77 0.00 -1.01 -1.35 119.26 121.13 2k3k h ALA 62 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2k3k h ALA 62 Cb 0.65 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2k3k h ALA 62 CO 0.04 -0.19 0.45 0.77 0.00 0.00 0.00 179.25 180.32 2k3k h SER 63 N 0.37 1.07 -0.42 0.00 0.02 -0.88 -0.05 113.55 113.66 2k3k h SER 63 Ca 0.17 -0.11 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 2k3k h SER 63 Cb 0.10 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.35 2k3k h SER 63 CO -0.14 0.88 0.10 -1.13 -1.14 0.00 0.00 176.83 175.40 2k3k h ASN 64 N 1.19 0.63 0.12 3.07 -1.24 -0.62 -0.04 115.58 118.69 2k3k h ASN 64 Ca 0.30 -0.23 -0.01 0.00 0.71 0.00 0.00 56.30 57.07 2k3k h ASN 64 Cb 0.05 -0.17 0.00 0.00 0.73 0.00 0.00 38.32 38.94 2k3k h ASN 64 CO -0.04 0.70 -0.06 0.00 -1.29 0.00 0.00 177.43 176.73 2k3k h ALA 65 N 0.96 -0.16 0.09 1.57 0.00 -0.64 -1.12 119.26 119.95 2k3k h ALA 65 Ca 0.13 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2k3k h ALA 65 Cb 0.31 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 2k3k h ALA 65 CO 0.00 -0.58 -0.35 1.25 0.00 0.00 0.00 179.25 179.57 2k3k h LEU 66 N -0.19 -1.03 0.04 0.00 6.46 -0.80 -0.32 115.31 119.47 2k3k h LEU 66 Ca -0.02 0.12 -0.00 0.00 -0.12 0.00 0.00 57.88 57.86 2k3k h LEU 66 Cb 0.15 0.40 0.00 0.00 -0.73 0.00 0.00 40.66 40.48 2k3k h LEU 66 CO 0.03 -0.43 -0.02 -0.09 -0.62 0.00 0.00 178.44 177.31 2k3k h ARG 67 N -0.56 -0.06 -0.25 1.25 2.43 -0.98 -0.42 114.38 115.80 2k3k h ARG 67 Ca 0.04 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.13 2k3k h ARG 67 Cb 0.61 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.15 2k3k h ARG 67 CO -0.23 0.01 -0.19 1.15 -1.51 0.00 0.00 179.97 179.20 2k3k h THR 68 N -0.10 1.24 -0.00 0.20 2.02 -0.94 -2.48 112.91 112.85 2k3k h THR 68 Ca -0.01 -1.11 0.00 0.00 0.77 0.00 0.00 66.41 66.06 2k3k h THR 68 Cb 0.09 1.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2k3k h THR 68 CO 0.01 0.35 -0.44 0.23 0.37 0.00 0.00 175.52 176.05 2k3k n MET 69 N -4.17 0.12 -1.68 6.66 2.81 -0.15 -4.72 117.12 116.00 2k3k n MET 69 Ca -0.00 -0.07 -0.46 0.00 -1.81 0.00 0.00 57.70 55.36 2k3k n MET 69 Cb 0.36 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.33 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 -1.38 2.34 -0.82 0.03 -0.06 -0.18 -1.27 117.38 116.04 2k3k n GLN 70 Ca 0.07 0.85 0.00 0.00 -2.00 0.00 0.00 57.00 55.92 2k3k n GLN 70 Cb 0.34 -2.69 0.00 0.00 -4.06 0.00 0.00 30.24 23.82 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 0.58 3.75 1.69 0.00 -0.23 -4.93 105.19 110.13 2k3k n GLY 71 Ca 0.20 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 -2.72 3.18 -1.19 1.61 5.36 -0.40 -4.17 117.98 119.66 2k3k s PHE 72 Ca 0.00 1.24 -0.21 0.00 -0.96 0.00 0.00 56.93 57.00 2k3k s PHE 72 Cb 0.00 -3.65 -0.00 0.00 -0.34 0.00 0.00 43.02 39.03 2k3k s PHE 72 CO 0.00 -1.97 1.80 -1.25 -1.46 0.00 0.00 175.22 172.34 2k3k s PRO 73 N -0.56 3.24 0.10 10.12 0.04 -1.26 -0.78 135.00 145.89 2k3k s PRO 73 Ca 0.55 -1.43 -0.18 0.00 0.04 0.00 0.00 61.00 59.99 2k3k s PRO 73 Cb -0.38 -5.36 -0.07 0.00 0.04 0.00 0.00 34.50 28.73 2k3k s PRO 73 CO 0.42 -3.02 1.54 0.35 0.04 0.00 0.00 177.00 176.32 2k3k h PHE 74 N 8.99 0.55 -1.29 0.56 3.57 -1.83 -3.35 116.94 124.14 2k3k h PHE 74 Ca 0.30 -0.09 -0.43 0.00 3.53 0.00 0.00 57.97 61.27 2k3k h PHE 74 Cb 0.92 -0.14 -0.30 0.00 2.79 0.00 0.00 35.95 39.22 2k3k h PHE 74 CO 1.31 0.65 -0.88 0.66 -2.23 0.00 0.00 178.31 177.82 2k3k n TYR 75 N -4.59 -1.50 0.00 0.41 4.01 -1.26 -4.96 117.16 109.28 2k3k n TYR 75 Ca -0.03 -2.88 0.00 0.00 -0.16 0.00 0.00 57.90 54.83 2k3k n TYR 75 Cb 0.25 0.37 0.00 0.00 -0.31 0.00 0.00 39.34 39.66 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 1.56 0.00 -4.71 7.72 2.03 -1.26 -4.74 116.55 117.15 2k3k n ASP 76 Ca 0.17 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 55.06 2k3k n ASP 76 Cb 0.56 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.93 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 4.33 -0.06 -0.67 1.02 -1.26 -4.79 119.74 118.31 2k3k s LYS 77 Ca 0.00 2.01 -0.30 0.00 0.02 0.00 0.00 55.97 57.70 2k3k s LYS 77 Cb 0.00 -3.34 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2k3k s LYS 77 CO 0.00 -0.45 1.56 -1.25 -0.92 0.00 0.00 175.35 174.29 2k3k s PRO 78 N 1.43 4.20 0.72 -1.68 0.04 -1.26 -2.40 135.00 136.05 2k3k s PRO 78 Ca 0.64 2.09 -0.16 0.00 0.04 0.00 0.00 61.00 63.60 2k3k s PRO 78 Cb -0.34 -3.87 0.03 0.00 0.04 0.00 0.00 34.50 30.35 2k3k s PRO 78 CO 0.29 -0.78 1.26 -1.64 0.04 0.00 0.00 177.00 176.17 2k3k s MET 79 N 3.66 2.12 -0.07 4.56 -1.94 0.04 -4.78 119.30 122.88 2k3k s MET 79 Ca 0.69 1.94 0.01 0.00 -1.71 0.00 0.00 55.69 56.63 2k3k s MET 79 Cb -0.32 -1.81 0.02 0.00 2.01 0.00 0.00 34.83 34.73 2k3k s MET 79 CO 0.27 -1.89 -0.09 -0.65 -0.01 0.00 0.00 175.02 172.64 2k3k s GLN 80 N -3.71 1.46 0.03 2.03 -1.52 -1.26 -1.07 119.66 115.62 2k3k s GLN 80 Ca 0.79 -0.30 0.01 0.00 -1.95 0.00 0.00 55.36 53.91 2k3k s GLN 80 Cb -0.34 -1.33 -0.02 0.00 -0.22 0.00 0.00 33.01 31.10 2k3k s GLN 80 CO 0.45 -0.08 -0.05 0.42 -0.25 0.00 0.00 175.29 175.78 2k3k s ILE 81 N 1.01 0.31 0.17 1.08 1.01 -1.26 -0.70 121.20 122.82 2k3k s ILE 81 Ca -0.08 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.58 2k3k s ILE 81 Cb -0.15 -0.41 -0.03 0.00 0.01 0.00 0.00 42.46 41.88 2k3k s ILE 81 CO -0.00 -0.42 0.16 0.00 0.00 0.00 0.00 174.94 174.67 2k3k s ALA 82 N -1.36 0.73 0.80 9.38 0.00 -0.22 -5.00 121.76 126.08 2k3k s ALA 82 Ca -0.13 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.32 2k3k s ALA 82 Cb -0.10 1.07 0.08 0.00 0.00 0.00 0.00 23.12 24.17 2k3k s ALA 82 CO -0.00 -0.58 1.15 1.52 0.00 0.00 0.00 175.76 177.85 2k3k s TYR 83 N -4.07 2.90 0.08 0.00 1.13 -1.26 -0.50 117.35 115.63 2k3k s TYR 83 Ca 0.28 0.68 0.02 0.00 -1.41 0.00 0.00 57.07 56.64 2k3k s TYR 83 Cb 0.06 -3.46 -0.01 0.00 -1.10 0.00 0.00 41.96 37.45 2k3k s TYR 83 CO 0.06 -1.74 0.07 0.43 -2.51 0.00 0.00 175.55 171.86 2k3k n SER 84 N -3.26 -0.16 -4.85 -0.18 7.64 -0.97 -4.56 113.62 107.28 2k3k n SER 84 Ca 0.08 -1.55 -0.31 0.00 1.01 0.00 0.00 58.87 58.10 2k3k n SER 84 Cb 0.61 0.42 0.02 0.00 -1.01 0.00 0.00 64.21 64.25 2k3k n SER 84 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2k3k s LYS 85 N -2.34 3.41 0.95 1.43 -0.14 -1.26 -4.75 119.74 117.03 2k3k s LYS 85 Ca 0.10 0.83 -0.12 0.00 -1.36 0.00 0.00 55.97 55.42 2k3k s LYS 85 Cb 0.00 -2.05 0.16 0.00 -1.68 0.00 0.00 37.83 34.26 2k3k s LYS 85 CO 0.07 -0.72 1.09 -1.12 -0.76 0.00 0.00 175.35 173.91 2k3k s SER 86 N -4.00 2.95 0.34 2.83 0.01 -1.26 -4.47 113.70 110.09 2k3k s SER 86 Ca 0.56 1.58 0.12 0.00 1.31 0.00 0.00 55.95 59.52 2k3k s SER 86 Cb -0.12 -2.24 1.05 0.00 0.21 0.00 0.00 66.02 64.92 2k3k s SER 86 CO 0.53 -2.98 1.61 -0.78 0.41 0.00 0.00 173.24 172.03 2k3k h ASP 87 N -1.79 0.16 -0.12 2.44 3.58 -1.97 -0.94 116.42 117.78 2k3k h ASP 87 Ca -0.51 0.23 0.04 0.00 0.42 0.00 0.00 57.03 57.21 2k3k h ASP 87 Cb 1.29 0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.61 2k3k h ASP 87 CO 0.52 -0.29 0.11 0.28 -2.88 0.00 0.00 179.24 176.99 2k3k h SER 88 N 0.13 0.00 0.00 2.28 0.02 -1.93 -3.04 113.55 111.00 2k3k h SER 88 Ca 0.72 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.50 2k3k h SER 88 Cb 1.69 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.20 2k3k h SER 88 CO -0.73 0.00 -1.64 -0.67 -1.14 0.00 0.00 176.83 172.64 2k3k n ASP 89 N -4.07 3.01 -0.08 3.07 2.03 -0.41 -1.00 116.55 119.11 2k3k n ASP 89 Ca 0.00 -0.04 -0.02 0.00 0.52 0.00 0.00 54.79 55.25 2k3k n ASP 89 Cb 0.23 0.09 0.24 0.00 -0.72 0.00 0.00 41.12 40.96 2k3k n ASP 89 CO 0.00 0.00 0.00 0.16 -1.92 0.00 0.00 177.20 175.44 2k3k h ILE 90 N 0.00 1.21 -0.34 5.18 3.07 -1.45 -0.62 117.51 124.57 2k3k h ILE 90 Ca -0.25 -0.78 -0.12 0.00 1.55 0.00 0.00 64.86 65.26 2k3k h ILE 90 Cb 1.45 0.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.75 2k3k h ILE 90 CO -0.02 0.28 -0.28 0.58 -1.05 0.00 0.00 178.15 177.66 2k3k h VAL 91 N 0.68 1.28 -0.83 0.16 2.07 -1.78 -1.09 116.25 116.74 2k3k h VAL 91 Ca 0.15 -1.40 -0.03 0.00 0.82 0.00 0.00 66.70 66.24 2k3k h VAL 91 Cb 0.29 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.35 2k3k h VAL 91 CO 0.00 0.46 0.40 0.00 0.02 0.00 0.00 177.57 178.45 2k3k h ALA 92 N 1.08 1.14 -0.20 1.67 0.00 -1.39 0.11 119.26 121.66 2k3k h ALA 92 Ca 0.07 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k3k h ALA 92 Cb 0.79 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2k3k h ALA 92 CO 0.06 0.65 0.11 -0.22 0.00 0.00 0.00 179.25 179.85 2k3k h LYS 93 N 1.18 0.28 0.00 0.00 1.63 -0.41 -3.03 116.57 116.23 2k3k h LYS 93 Ca 0.29 -0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 2k3k h LYS 93 Cb 0.12 -0.05 -0.00 0.00 -0.60 0.00 0.00 32.23 31.69 2k3k h LYS 93 CO -0.04 0.28 -0.88 -0.84 -3.45 0.00 0.00 179.45 174.53 2k3k h ILE 94 N 0.21 0.09 0.00 2.00 3.07 -1.11 -3.45 117.51 118.31 2k3k h ILE 94 Ca 0.07 -1.16 0.00 0.00 1.55 0.00 0.00 64.86 65.32 2k3k h ILE 94 Cb 0.09 1.67 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 2k3k h ILE 94 CO -0.01 0.05 0.00 1.17 -1.05 0.00 0.00 178.15 178.31 2k3k n LYS 95 N -2.79 0.00 -2.65 0.16 4.81 -0.12 -5.09 118.16 112.48 2k3k n LYS 95 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2k3k n LYS 95 Cb 0.59 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.64 2k3k n LYS 95 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k3k n GLY 96 N 1.01 -0.95 2.88 3.14 0.00 -0.37 -4.94 105.19 105.96 2k3k n GLY 96 Ca 0.00 -1.49 -0.08 0.00 0.00 0.00 0.00 46.02 44.45 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 5.27-10.90 -1.70 2.61 -1.04 -1.26 -3.29 114.28 103.97 2k3k n THR 97 Ca 0.00 0.78 -0.42 0.00 -2.04 0.00 0.00 64.05 62.37 2k3k n THR 97 Cb 0.00 -7.20 -0.00 0.00 -1.82 0.00 0.00 70.33 61.30 2k3k n THR 97 CO 0.00 0.00 0.00 0.33 -0.64 0.00 0.00 175.07 174.76 2k3k n PHE 98 N -0.44 2.25 -3.80 -1.42 7.35 -1.26 -2.06 117.46 118.08 2k3k n PHE 98 Ca 0.10 0.54 -0.32 0.00 -0.76 0.00 0.00 57.45 57.01 2k3k n PHE 98 Cb 0.47 -2.41 0.02 0.00 0.35 0.00 0.00 39.48 37.91 2k3k n PHE 98 CO 0.00 0.00 0.00 1.17 -0.76 0.00 0.00 176.76 177.17 2k3k n LYS 99 N 0.44 -0.97 -1.58 -4.13 0.00 -0.17 -4.91 118.16 106.84 2k3k n LYS 99 Ca 0.05 0.49 -0.41 0.00 0.00 0.00 0.00 58.31 58.44 2k3k n LYS 99 Cb 0.37 -3.17 0.01 0.00 0.00 0.00 0.00 35.03 32.24 2k3k n LYS 99 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2k3k n GLU 100 N -3.86 1.19 -3.35 1.64 4.07 -0.87 -4.99 120.64 114.46 2k3k n GLU 100 Ca -0.16 0.43 -0.25 0.00 -0.06 0.00 0.00 57.16 57.12 2k3k n GLU 100 Cb 0.60 -1.96 -0.09 0.00 -0.06 0.00 0.00 31.44 29.93 2k3k n GLU 100 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k3k s ARG 101 N -2.00 0.83 0.36 5.31 0.52 -1.26 -4.98 118.95 117.74 2k3k s ARG 101 Ca 0.64 -1.81 0.05 0.00 -0.52 0.00 0.00 55.73 54.09 2k3k s ARG 101 Cb -0.56 -1.24 0.72 0.00 0.52 0.00 0.00 34.95 34.39 2k3k s ARG 101 CO 0.56 -1.34 1.98 -1.35 0.02 0.00 0.00 175.30 175.18 2k3k h PRO 102 N 5.93 0.75 -0.12 3.54 0.11 -2.02 -3.32 132.00 136.87 2k3k h PRO 102 Ca 0.20 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 66.08 2k3k h PRO 102 Cb 0.95 -0.17 -0.24 0.00 0.11 0.00 0.00 31.00 31.65 2k3k h PRO 102 CO 0.31 0.50 -0.58 0.36 -0.21 0.00 0.00 178.00 178.38 2k3k n LYS 103 N -4.46 1.12 0.00 1.05 2.85 -1.26 -5.36 118.16 112.10 2k3k n LYS 103 Ca 0.09 -1.88 0.00 0.00 -1.05 0.00 0.00 58.31 55.46 2k3k n LYS 103 Cb 0.15 -0.16 0.00 0.00 -0.65 0.00 0.00 35.03 34.37 2k3k n LYS 103 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52