#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3k h GLU 2 N 0.00 0.86 -7.08 3.17 4.81 -2.03 -3.45 114.58 110.85 2k3k h GLU 2 Ca 0.00 -0.39 -0.49 0.00 -0.13 0.00 0.00 59.36 58.35 2k3k h GLU 2 Cb 0.00 -0.02 0.06 0.00 0.63 0.00 0.00 28.75 29.42 2k3k h GLU 2 CO 0.00 1.03 0.42 -1.64 -0.73 0.00 0.00 179.01 178.09 2k3k s MET 3 N -4.59 3.52 0.51 1.92 1.00 -1.26 -5.03 119.30 115.38 2k3k s MET 3 Ca -0.12 1.52 -0.20 0.00 0.00 0.00 0.00 55.69 56.89 2k3k s MET 3 Cb 0.11 -2.04 -0.07 0.00 0.00 0.00 0.00 34.83 32.83 2k3k s MET 3 CO 0.85 -0.69 1.12 -0.51 0.00 0.00 0.00 175.02 175.78 2k3k s LEU 4 N -3.67 3.84 0.00 -0.03 1.43 -1.26 -4.96 118.68 114.02 2k3k s LEU 4 Ca 0.71 2.15 0.30 0.00 -1.03 0.00 0.00 54.13 56.26 2k3k s LEU 4 Cb -0.21 -4.49 1.46 0.00 0.03 0.00 0.00 46.19 42.97 2k3k s LEU 4 CO 0.24 -1.05 1.99 -0.81 0.23 0.00 0.00 176.35 176.95 2k3k n PRO 5 N -1.02 0.91 -1.53 1.29 -0.04 -1.26 -4.75 135.00 128.59 2k3k n PRO 5 Ca 0.10 -0.24 -0.52 0.00 -0.04 0.00 0.00 63.50 62.79 2k3k n PRO 5 Cb 0.51 -1.49 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 2k3k n PRO 5 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2k3k n ASN 6 N -0.83 0.60 0.12 3.54 5.15 -1.26 -4.23 115.26 118.35 2k3k n ASN 6 Ca 0.18 1.14 0.11 0.00 -0.60 0.00 0.00 54.58 55.41 2k3k n ASN 6 Cb 0.23 -1.09 0.48 0.00 -0.53 0.00 0.00 39.78 38.87 2k3k n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k3k n GLN 7 N 1.67 0.15 -3.34 1.20 10.64 -1.26 -4.45 117.38 122.00 2k3k n GLN 7 Ca 0.17 0.48 -0.38 0.00 -1.83 0.00 0.00 57.00 55.44 2k3k n GLN 7 Cb 0.19 -1.85 -0.07 0.00 -0.86 0.00 0.00 30.24 27.65 2k3k n GLN 7 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 2k3k s THR 8 N -3.34 5.17 0.25 -0.39 2.01 -1.26 -1.52 115.64 116.56 2k3k s THR 8 Ca 0.02 0.82 0.11 0.00 0.31 0.00 0.00 61.69 62.95 2k3k s THR 8 Cb 0.08 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 2k3k s THR 8 CO 0.30 0.25 -0.18 0.27 -0.69 0.00 0.00 174.62 174.57 2k3k s ILE 9 N 1.26 2.22 -0.08 1.82 -4.36 -0.05 -1.74 121.20 120.28 2k3k s ILE 9 Ca 0.22 -2.34 0.00 0.00 -0.26 0.00 0.00 60.65 58.27 2k3k s ILE 9 Cb -0.15 -2.21 0.02 0.00 1.25 0.00 0.00 42.46 41.37 2k3k s ILE 9 CO 0.09 -0.47 -0.06 -0.47 0.24 0.00 0.00 174.94 174.27 2k3k s TYR 10 N -2.66 1.12 -0.04 1.37 5.04 0.06 -1.68 117.35 120.56 2k3k s TYR 10 Ca 0.27 -0.44 0.04 0.00 -2.44 0.00 0.00 57.07 54.50 2k3k s TYR 10 Cb -0.04 -0.96 -0.03 0.00 0.35 0.00 0.00 41.96 41.29 2k3k s TYR 10 CO 0.12 -0.34 -0.15 0.42 -1.34 0.00 0.00 175.55 174.26 2k3k s ILE 11 N 1.32 2.96 0.25 3.14 1.01 0.03 -1.70 121.20 128.20 2k3k s ILE 11 Ca -0.04 -0.78 -0.04 0.00 0.00 0.00 0.00 60.65 59.79 2k3k s ILE 11 Cb -0.14 -2.15 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 2k3k s ILE 11 CO -0.03 0.57 0.29 0.21 0.00 0.00 0.00 174.94 175.99 2k3k s ASN 12 N -0.77 0.35 -1.11 3.58 3.84 0.68 -1.21 114.94 120.31 2k3k s ASN 12 Ca 0.12 -1.31 -0.01 0.00 0.21 0.00 0.00 52.86 51.86 2k3k s ASN 12 Cb -0.11 0.50 0.01 0.00 -0.55 0.00 0.00 41.25 41.10 2k3k s ASN 12 CO 0.01 -1.01 0.07 -3.20 -2.79 0.00 0.00 177.10 170.17 2k3k n ASN 13 N -0.60 -4.00 -4.75 -4.21 5.15 -1.17 -1.91 115.26 103.78 2k3k n ASN 13 Ca 0.01 0.12 -0.41 0.00 -0.60 0.00 0.00 54.58 53.70 2k3k n ASN 13 Cb 0.64 -3.38 -0.03 0.00 -0.53 0.00 0.00 39.78 36.48 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 -5.75 4.44 -0.37 1.20 0.20 -0.58 -4.66 118.68 113.16 2k3k s LEU 14 Ca 0.05 2.45 -0.28 0.00 0.69 0.00 0.00 54.13 57.04 2k3k s LEU 14 Cb -0.03 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.08 2k3k s LEU 14 CO 0.06 -0.48 1.96 0.21 -0.29 0.00 0.00 176.35 177.81 2k3k s ASN 15 N 0.00 5.54 0.05 3.68 3.84 -1.26 -4.50 114.94 122.30 2k3k s ASN 15 Ca 0.53 1.23 0.08 0.00 0.21 0.00 0.00 52.86 54.92 2k3k s ASN 15 Cb -0.37 -2.52 0.37 0.00 -0.55 0.00 0.00 41.25 38.19 2k3k s ASN 15 CO 0.42 -2.00 1.25 -1.84 -2.79 0.00 0.00 177.10 172.15 2k3k n GLU 16 N 8.68 0.03 0.25 0.43 0.00 -1.26 -1.91 120.64 126.86 2k3k n GLU 16 Ca 0.25 0.44 0.10 0.00 0.00 0.00 0.00 57.16 57.95 2k3k n GLU 16 Cb 0.48 -1.57 0.63 0.00 0.00 0.00 0.00 31.44 30.98 2k3k n GLU 16 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 2k3k h LYS 17 N 0.00 0.00 -6.31 3.44 2.10 -1.89 -3.44 116.57 110.47 2k3k h LYS 17 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 2k3k h LYS 17 Cb 0.10 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2k3k h LYS 17 CO 0.00 0.17 0.95 0.42 -2.00 0.00 0.00 179.45 178.99 2k3k s ILE 18 N -4.18 3.67 0.82 0.07 -1.09 -0.80 -5.00 121.20 114.69 2k3k s ILE 18 Ca -0.03 0.96 -0.11 0.00 -2.23 0.00 0.00 60.65 59.24 2k3k s ILE 18 Cb 0.13 -3.62 0.09 0.00 -1.58 0.00 0.00 42.46 37.48 2k3k s ILE 18 CO 0.62 -0.04 1.14 -0.75 -1.23 0.00 0.00 174.94 174.67 2k3k s LYS 19 N 3.16 1.76 0.22 2.79 2.20 -1.26 -4.77 119.74 123.84 2k3k s LYS 19 Ca 0.67 1.45 -0.07 0.00 -0.36 0.00 0.00 55.97 57.65 2k3k s LYS 19 Cb -0.32 -1.82 0.35 0.00 -1.51 0.00 0.00 37.83 34.53 2k3k s LYS 19 CO 0.26 -2.06 1.74 -0.22 -0.36 0.00 0.00 175.35 174.71 2k3k h LYS 20 N -1.21 0.42 -0.57 4.03 3.64 -1.95 0.99 116.57 121.93 2k3k h LYS 20 Ca -0.44 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 58.90 2k3k h LYS 20 Cb 1.26 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 2k3k h LYS 20 CO 0.47 0.28 0.31 1.49 -2.27 0.00 0.00 179.45 179.73 2k3k h GLU 21 N 0.44 0.79 -0.30 1.90 4.81 -1.98 -1.01 114.58 119.22 2k3k h GLU 21 Ca 0.35 -0.09 -0.13 0.00 -0.13 0.00 0.00 59.36 59.35 2k3k h GLU 21 Cb 0.46 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2k3k h GLU 21 CO -0.34 0.61 -0.34 0.93 -0.73 0.00 0.00 179.01 179.14 2k3k h GLU 22 N 0.76 0.67 0.11 1.92 5.08 -1.67 -0.70 114.58 120.74 2k3k h GLU 22 Ca 0.20 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k3k h GLU 22 Cb 0.05 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 2k3k h GLU 22 CO -0.03 0.92 -0.06 1.25 -1.00 0.00 0.00 179.01 180.08 2k3k h LEU 23 N 0.56 -0.15 -0.21 1.33 7.12 -0.57 0.84 115.31 124.22 2k3k h LEU 23 Ca 0.06 0.01 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2k3k h LEU 23 Cb 0.86 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 41.02 2k3k h LEU 23 CO 0.07 -0.10 0.13 0.11 -0.13 0.00 0.00 178.44 178.52 2k3k h LYS 24 N -0.16 0.28 -0.37 1.25 1.57 -1.00 -0.82 116.57 117.31 2k3k h LYS 24 Ca -0.01 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.80 2k3k h LYS 24 Cb 0.13 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 2k3k h LYS 24 CO 0.01 0.21 0.11 -0.22 -0.57 0.00 0.00 179.45 178.99 2k3k h LYS 25 N 0.27 0.24 -0.27 3.15 3.64 -0.97 -0.94 116.57 121.70 2k3k h LYS 25 Ca 0.08 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 2k3k h LYS 25 Cb -0.00 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 2k3k h LYS 25 CO -0.02 0.16 0.15 0.77 -2.27 0.00 0.00 179.45 178.24 2k3k h SER 26 N 0.25 0.34 -0.31 4.20 0.02 -0.51 0.02 113.55 117.56 2k3k h SER 26 Ca 0.17 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 61.02 2k3k h SER 26 Cb 0.17 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2k3k h SER 26 CO -0.20 0.33 0.15 -0.07 -1.14 0.00 0.00 176.83 175.91 2k3k h LEU 27 N 0.32 0.41 -1.36 5.07 3.38 -0.83 -1.09 115.31 121.20 2k3k h LEU 27 Ca 0.09 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 2k3k h LEU 27 Cb 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k3k h LEU 27 CO -0.01 0.42 -0.22 1.88 0.09 0.00 0.00 178.44 180.60 2k3k h TYR 28 N 0.37 0.16 -0.35 1.13 0.05 -1.04 -0.22 116.97 117.07 2k3k h TYR 28 Ca 0.11 -0.02 -0.17 0.00 0.05 0.00 0.00 58.73 58.69 2k3k h TYR 28 Cb 0.12 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.81 2k3k h TYR 28 CO -0.02 0.36 -0.45 0.00 -1.05 0.00 0.00 178.16 177.00 2k3k h ALA 29 N 1.64 0.53 0.00 3.88 0.00 -0.17 -3.38 119.26 121.76 2k3k h ALA 29 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2k3k h ALA 29 Cb 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2k3k h ALA 29 CO 0.03 0.68 -0.87 0.44 0.00 0.00 0.00 179.25 179.54 2k3k n ILE 30 N -4.04 0.00 -0.21 0.00 -5.35 -0.49 -4.69 119.36 104.58 2k3k n ILE 30 Ca -0.03 0.00 -0.03 0.00 -0.27 0.00 0.00 62.75 62.42 2k3k n ILE 30 Cb 0.58 -1.14 0.17 0.00 -1.74 0.00 0.00 39.64 37.51 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 1.01 -0.01 4.28 -1.00 -1.21 -1.29 116.94 118.72 2k3k h PHE 31 Ca 0.00 -0.05 0.00 0.00 2.81 0.00 0.00 57.97 60.73 2k3k h PHE 31 Cb 0.87 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 40.11 2k3k h PHE 31 CO 0.00 0.74 0.02 0.77 -1.61 0.00 0.00 178.31 178.23 2k3k h SER 32 N 1.00 0.00 0.40 2.17 0.02 -1.60 -1.23 113.55 114.31 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 0.13 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.67 2k3k h SER 32 CO -0.03 0.00 -0.01 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 4.20 -1.51 0.12 115.11 121.37 2k3k h GLN 33 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k3k h GLN 33 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2k3k h GLN 33 CO -0.00 0.01 -0.24 1.19 -0.67 0.00 0.00 178.83 179.12 2k3k n PHE 34 N -3.12 0.00 0.00 2.96 3.01 -0.46 -4.82 117.46 115.03 2k3k n PHE 34 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 2k3k n PHE 34 Cb 0.16 -0.18 0.00 0.00 -0.01 0.00 0.00 39.48 39.45 2k3k n PHE 34 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2k3k n GLY 35 N 1.36 0.00 2.28 1.37 0.00 -0.79 -4.47 105.19 104.94 2k3k n GLY 35 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -4.90 -1.97 1.61 -0.06 0.34 -4.48 117.38 107.93 2k3k n GLN 36 Ca 0.00 3.58 -0.38 0.00 -2.00 0.00 0.00 57.00 58.20 2k3k n GLN 36 Cb 0.00 -4.50 0.02 0.00 -4.06 0.00 0.00 30.24 21.70 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 -0.57 2.47 -0.22 1.69 1.01 -1.26 -2.56 121.20 121.77 2k3k s ILE 37 Ca -0.01 0.36 0.00 0.00 0.00 0.00 0.00 60.65 61.00 2k3k s ILE 37 Cb 0.00 -3.19 -0.14 0.00 0.01 0.00 0.00 42.46 39.15 2k3k s ILE 37 CO 0.02 0.00 -0.20 -0.11 0.00 0.00 0.00 174.94 174.65 2k3k n LEU 38 N -0.75 2.84 -3.70 2.97 7.94 0.81 -4.73 117.00 122.38 2k3k n LEU 38 Ca 0.09 -0.07 -0.10 0.00 -1.11 0.00 0.00 56.01 54.82 2k3k n LEU 38 Cb 0.46 -0.75 -0.04 0.00 0.53 0.00 0.00 43.42 43.62 2k3k n LEU 38 CO 0.51 0.83 0.28 -0.62 -1.11 0.00 0.00 177.39 177.28 2k3k s ASP 39 N -6.22 -0.29 -0.01 1.96 2.15 -0.56 -5.00 116.67 108.70 2k3k s ASP 39 Ca -0.30 -0.42 -0.03 0.00 0.43 0.00 0.00 52.55 52.22 2k3k s ASP 39 Cb 0.08 0.58 -0.00 0.00 -0.30 0.00 0.00 42.92 43.27 2k3k s ASP 39 CO 0.49 -1.04 0.07 -0.63 -0.17 0.00 0.00 175.17 173.90 2k3k s ILE 40 N -3.86 0.06 -0.17 4.11 1.01 -1.26 -0.48 121.20 120.61 2k3k s ILE 40 Ca 0.08 -0.46 -0.04 0.00 0.00 0.00 0.00 60.65 60.22 2k3k s ILE 40 Cb -0.01 -0.26 0.06 0.00 0.01 0.00 0.00 42.46 42.26 2k3k s ILE 40 CO -0.04 -0.26 0.08 -0.69 0.00 0.00 0.00 174.94 174.03 2k3k s VAL 41 N -0.81 0.05 0.17 2.92 1.01 -0.08 -4.98 120.40 118.68 2k3k s VAL 41 Ca -0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2k3k s VAL 41 Cb -0.05 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.65 2k3k s VAL 41 CO 0.00 -0.24 0.19 0.00 0.00 0.00 0.00 175.10 175.05 2k3k s ALA 42 N 2.08 0.57 0.19 5.51 0.00 -1.26 -0.84 121.76 128.00 2k3k s ALA 42 Ca 0.02 -1.29 -0.10 0.00 0.00 0.00 0.00 51.96 50.58 2k3k s ALA 42 Cb -0.16 1.02 -0.01 0.00 0.00 0.00 0.00 23.12 23.98 2k3k s ALA 42 CO -0.08 -0.60 0.33 -1.17 0.00 0.00 0.00 175.76 174.23 2k3k s LEU 43 N -3.05 0.78 0.40 0.00 2.96 -0.12 -5.02 118.68 114.64 2k3k s LEU 43 Ca 0.26 -0.89 0.22 0.00 -0.22 0.00 0.00 54.13 53.49 2k3k s LEU 43 Cb 0.05 1.31 0.64 0.00 0.50 0.00 0.00 46.19 48.70 2k3k s LEU 43 CO 0.05 -0.95 1.71 0.11 -1.32 0.00 0.00 176.35 175.94 2k3k h LYS 44 N 2.47 0.00 -6.97 1.98 1.57 -2.00 -3.32 116.57 110.29 2k3k h LYS 44 Ca -0.31 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.94 2k3k h LYS 44 Cb 1.24 0.00 0.09 0.00 0.08 0.00 0.00 32.23 33.64 2k3k h LYS 44 CO 0.45 0.26 0.61 0.95 -0.57 0.00 0.00 179.45 181.16 2k3k s THR 45 N -3.41 2.49 0.49 -0.16 -4.23 -1.26 -4.84 115.64 104.72 2k3k s THR 45 Ca 0.02 0.42 0.19 0.00 -1.18 0.00 0.00 61.69 61.14 2k3k s THR 45 Cb 0.09 -3.24 0.34 0.00 1.34 0.00 0.00 72.50 71.03 2k3k s THR 45 CO 0.66 0.05 2.02 0.17 -0.54 0.00 0.00 174.62 176.98 2k3k h LEU 46 N 2.37 0.15 -2.03 4.79 -0.00 -1.97 -0.84 115.31 117.79 2k3k h LEU 46 Ca -0.50 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 57.50 2k3k h LEU 46 Cb 1.26 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 41.87 2k3k h LEU 46 CO 0.61 0.09 0.39 0.50 -0.00 0.00 0.00 178.44 180.04 2k3k h LYS 47 N 0.17 0.00 -0.12 0.17 3.64 -1.93 -1.28 116.57 117.22 2k3k h LYS 47 Ca 0.21 0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 59.41 2k3k h LYS 47 Cb 0.61 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.09 2k3k h LYS 47 CO -0.03 0.00 -0.97 -1.33 -2.27 0.00 0.00 179.45 174.84 2k3k n MET 48 N -3.88 0.73 0.00 1.90 2.81 -0.40 -4.58 117.12 113.69 2k3k n MET 48 Ca 0.07 -2.58 0.00 0.00 -1.81 0.00 0.00 57.70 53.38 2k3k n MET 48 Cb 0.57 -0.65 0.00 0.00 -0.71 0.00 0.00 33.22 32.44 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 0.00 2.53 0.00 0.03 0.63 -0.75 -0.95 116.66 118.16 2k3k n ARG 49 Ca 0.10 0.00 0.14 0.00 -0.92 0.00 0.00 57.85 57.17 2k3k n ARG 49 Cb 1.01 -0.85 0.67 0.00 0.45 0.00 0.00 32.46 33.74 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 2.13 -1.15 3.40 5.14 0.00 -0.54 -4.12 105.19 110.05 2k3k n GLY 50 Ca 0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.57 1.20 0.25 1.61 -2.07 -1.26 -1.52 119.66 115.30 2k3k s GLN 51 Ca 0.27 -0.72 -0.18 0.00 -1.82 0.00 0.00 55.36 52.91 2k3k s GLN 51 Cb 0.20 0.50 0.02 0.00 -1.09 0.00 0.00 33.01 32.64 2k3k s GLN 51 CO 0.48 -0.49 0.59 0.00 -1.32 0.00 0.00 175.29 174.55 2k3k s ALA 52 N -3.82 -0.85 0.13 2.60 0.00 -0.35 -4.36 121.76 115.11 2k3k s ALA 52 Ca 0.05 -0.45 0.06 0.00 0.00 0.00 0.00 51.96 51.62 2k3k s ALA 52 Cb 0.01 0.92 -0.04 0.00 0.00 0.00 0.00 23.12 24.01 2k3k s ALA 52 CO -0.09 -0.92 -0.15 -0.06 0.00 0.00 0.00 175.76 174.54 2k3k s PHE 53 N -3.94 1.49 0.03 0.00 0.08 -0.02 -0.79 117.98 114.83 2k3k s PHE 53 Ca 0.14 -0.52 -0.07 0.00 0.12 0.00 0.00 56.93 56.60 2k3k s PHE 53 Cb -0.03 -0.78 -0.01 0.00 -0.57 0.00 0.00 43.02 41.64 2k3k s PHE 53 CO 0.05 0.18 0.12 0.54 -0.10 0.00 0.00 175.22 176.01 2k3k s VAL 54 N -2.01 0.11 -0.10 -0.44 0.11 -0.67 -0.90 120.40 116.50 2k3k s VAL 54 Ca 0.09 -0.93 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 2k3k s VAL 54 Cb -0.06 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2k3k s VAL 54 CO 0.04 -0.51 -0.09 -0.63 -3.33 0.00 0.00 175.10 170.57 2k3k s ILE 55 N -2.20 1.07 0.37 7.04 1.09 0.36 -0.87 121.20 128.07 2k3k s ILE 55 Ca -0.08 -0.35 0.02 0.00 -1.10 0.00 0.00 60.65 59.14 2k3k s ILE 55 Cb -0.03 -1.06 -0.02 0.00 -1.06 0.00 0.00 42.46 40.30 2k3k s ILE 55 CO -0.02 0.37 0.56 -0.36 -0.10 0.00 0.00 174.94 175.38 2k3k s PHE 56 N 1.43 3.30 0.46 3.97 0.40 -0.58 -0.13 117.98 126.83 2k3k s PHE 56 Ca -0.00 0.14 0.13 0.00 -0.60 0.00 0.00 56.93 56.59 2k3k s PHE 56 Cb -0.13 -2.04 1.06 0.00 0.51 0.00 0.00 43.02 42.42 2k3k s PHE 56 CO -0.05 -0.05 2.06 1.57 0.70 0.00 0.00 175.22 179.45 2k3k h LYS 57 N 0.70 0.14 -3.54 0.44 2.10 -1.72 -3.42 116.57 111.27 2k3k h LYS 57 Ca -0.48 -0.02 -0.11 0.00 -2.00 0.00 0.00 60.65 58.04 2k3k h LYS 57 Cb 1.24 -0.03 -0.18 0.00 -0.90 0.00 0.00 32.23 32.37 2k3k h LYS 57 CO 0.58 0.17 -0.39 -1.21 -2.00 0.00 0.00 179.45 176.59 2k3k s GLU 58 N -5.01 0.68 0.27 0.07 2.02 -1.26 -5.06 118.70 110.41 2k3k s GLU 58 Ca -0.05 -0.61 -0.02 0.00 0.02 0.00 0.00 54.97 54.31 2k3k s GLU 58 Cb 0.17 0.28 0.38 0.00 0.10 0.00 0.00 34.13 35.06 2k3k s GLU 58 CO 0.70 -0.20 1.82 -0.84 0.02 0.00 0.00 175.26 176.77 2k3k h ILE 59 N 3.51 1.23 -0.33 -1.63 3.07 -1.88 -2.01 117.51 119.47 2k3k h ILE 59 Ca -0.32 -0.80 -0.05 0.00 1.55 0.00 0.00 64.86 65.24 2k3k h ILE 59 Cb 1.19 0.62 -0.02 0.00 -0.27 0.00 0.00 36.82 38.35 2k3k h ILE 59 CO 0.48 0.30 -0.02 1.23 -1.05 0.00 0.00 178.15 179.09 2k3k h GLY 60 N 0.99 0.55 0.86 0.16 0.00 -1.98 -0.08 103.07 103.57 2k3k h GLY 60 Ca 0.19 -0.33 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2k3k h GLY 60 CO -0.00 0.30 -0.38 1.76 0.00 0.00 0.00 176.54 178.22 2k3k h SER 61 N 0.49 0.59 -0.57 0.19 0.02 -1.73 -1.45 113.55 111.09 2k3k h SER 61 Ca 0.10 -0.58 0.02 0.00 -0.84 0.00 0.00 61.79 60.50 2k3k h SER 61 Cb 0.34 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.68 2k3k h SER 61 CO 0.01 1.06 0.36 0.00 -1.14 0.00 0.00 176.83 177.12 2k3k h ALA 62 N 0.55 0.73 0.00 3.77 0.00 -1.14 -0.78 119.26 122.40 2k3k h ALA 62 Ca -0.00 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.91 2k3k h ALA 62 Cb 0.99 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 2k3k h ALA 62 CO 0.08 0.10 -0.24 0.77 0.00 0.00 0.00 179.25 179.97 2k3k h SER 63 N 0.72 -0.71 -0.18 0.00 0.02 -0.88 -0.23 113.55 112.28 2k3k h SER 63 Ca 0.22 0.10 -0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2k3k h SER 63 Cb -0.02 0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.80 2k3k h SER 63 CO -0.08 -0.31 0.10 -1.13 -1.14 0.00 0.00 176.83 174.27 2k3k h ASN 64 N -0.37 0.23 0.41 3.07 -1.24 -1.03 -1.12 115.58 115.52 2k3k h ASN 64 Ca 0.06 -0.09 -0.02 0.00 0.71 0.00 0.00 56.30 56.96 2k3k h ASN 64 Cb 0.46 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 2k3k h ASN 64 CO -0.21 0.26 -0.23 0.00 -1.29 0.00 0.00 177.43 175.95 2k3k h ALA 65 N 0.98 -0.60 0.48 1.57 0.00 -0.97 -1.52 119.26 119.21 2k3k h ALA 65 Ca 0.06 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k3k h ALA 65 Cb 0.08 0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2k3k h ALA 65 CO -0.01 -0.85 -0.47 1.25 0.00 0.00 0.00 179.25 179.17 2k3k h LEU 66 N -0.60 -1.30 -0.47 0.00 6.46 -0.97 -1.06 115.31 117.37 2k3k h LEU 66 Ca -0.05 0.10 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 2k3k h LEU 66 Cb 0.49 0.43 -0.04 0.00 -0.73 0.00 0.00 40.66 40.81 2k3k h LEU 66 CO 0.06 -0.63 0.26 -0.09 -0.62 0.00 0.00 178.44 177.42 2k3k h ARG 67 N -0.95 0.50 0.00 1.25 1.12 -1.19 -2.00 114.38 113.11 2k3k h ARG 67 Ca -0.06 -0.03 -0.20 0.00 -1.11 0.00 0.00 59.98 58.57 2k3k h ARG 67 Cb 0.82 -0.11 -0.03 0.00 -0.01 0.00 0.00 29.97 30.64 2k3k h ARG 67 CO -0.05 0.33 -0.97 1.15 -3.11 0.00 0.00 179.97 177.32 2k3k h THR 68 N 0.51 1.67 0.00 0.20 2.02 -1.20 -3.26 112.91 112.85 2k3k h THR 68 Ca 0.20 -3.36 0.00 0.00 0.77 0.00 0.00 66.41 64.02 2k3k h THR 68 Cb 0.07 2.83 0.00 0.00 -1.74 0.00 0.00 68.15 69.31 2k3k h THR 68 CO -0.12 0.95 -0.41 0.23 0.37 0.00 0.00 175.52 176.54 2k3k n MET 69 N -3.34 0.10 -1.63 6.66 2.81 -0.41 -4.78 117.12 116.53 2k3k n MET 69 Ca 0.00 0.04 -0.52 0.00 -1.81 0.00 0.00 57.70 55.40 2k3k n MET 69 Cb 0.93 -1.57 -0.06 0.00 -0.71 0.00 0.00 33.22 31.81 2k3k n MET 69 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 2k3k n GLN 70 N -1.72 1.32 -0.92 0.03 1.13 -0.77 -1.36 117.38 115.10 2k3k n GLN 70 Ca 0.05 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.59 2k3k n GLN 70 Cb 0.37 -2.16 0.00 0.00 0.11 0.00 0.00 30.24 28.56 2k3k n GLN 70 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2k3k n GLY 71 N 3.12 0.81 3.75 1.08 0.00 -0.30 -4.97 105.19 108.68 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 -3.42 2.88 -0.77 1.61 5.36 -0.46 -4.40 117.98 118.78 2k3k s PHE 72 Ca 0.00 0.88 -0.26 0.00 -0.96 0.00 0.00 56.93 56.59 2k3k s PHE 72 Cb 0.00 -3.95 0.00 0.00 -0.34 0.00 0.00 43.02 38.73 2k3k s PHE 72 CO 0.00 -3.18 1.62 -1.25 -1.46 0.00 0.00 175.22 170.95 2k3k s PRO 73 N -0.39 2.95 0.01 10.12 0.04 -1.26 -0.58 135.00 145.90 2k3k s PRO 73 Ca 0.62 -0.09 -0.27 0.00 0.04 0.00 0.00 61.00 61.30 2k3k s PRO 73 Cb -0.45 -4.58 -0.15 0.00 0.04 0.00 0.00 34.50 29.36 2k3k s PRO 73 CO 0.45 -2.56 1.13 0.35 0.04 0.00 0.00 177.00 176.41 2k3k h PHE 74 N 11.91 -0.86 -1.34 0.56 3.57 -1.63 -3.43 116.94 125.73 2k3k h PHE 74 Ca -0.14 -0.02 -0.23 0.00 3.53 0.00 0.00 57.97 61.12 2k3k h PHE 74 Cb 1.08 0.28 -0.22 0.00 2.79 0.00 0.00 35.95 39.88 2k3k h PHE 74 CO 1.14 -0.52 -0.58 0.71 -2.23 0.00 0.00 178.31 176.83 2k3k s TYR 75 N -4.71 -1.04 -1.87 0.41 2.02 -1.26 -4.93 117.35 105.96 2k3k s TYR 75 Ca -0.14 -0.69 0.00 0.00 -0.37 0.00 0.00 57.07 55.86 2k3k s TYR 75 Cb 0.02 0.03 0.00 0.00 -0.40 0.00 0.00 41.96 41.60 2k3k s TYR 75 CO 0.44 -1.15 0.00 -3.47 -1.57 0.00 0.00 175.55 169.80 2k3k n ASP 76 N 3.43 -4.83 -3.80 2.29 2.03 -1.26 -4.72 116.55 109.69 2k3k n ASP 76 Ca 0.17 0.40 -0.13 0.00 0.52 0.00 0.00 54.79 55.75 2k3k n ASP 76 Cb 0.53 -4.29 -0.14 0.00 -0.72 0.00 0.00 41.12 36.50 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 -3.73 0.05 0.10 -0.67 1.02 -1.26 -5.08 119.74 110.17 2k3k s LYS 77 Ca 0.00 0.19 -0.31 0.00 0.02 0.00 0.00 55.97 55.87 2k3k s LYS 77 Cb 0.00 -0.09 -0.07 0.00 -0.52 0.00 0.00 37.83 37.15 2k3k s LYS 77 CO 0.00 -0.09 1.27 -1.25 -0.92 0.00 0.00 175.35 174.36 2k3k s PRO 78 N 0.58 4.40 0.57 -1.68 0.04 -1.26 -1.51 135.00 136.14 2k3k s PRO 78 Ca -0.05 1.90 -0.20 0.00 0.04 0.00 0.00 61.00 62.69 2k3k s PRO 78 Cb -0.06 -3.29 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 2k3k s PRO 78 CO -0.02 -0.30 1.26 -1.64 0.04 0.00 0.00 177.00 176.33 2k3k s MET 79 N 0.88 3.07 -0.06 4.56 -1.94 0.26 -4.81 119.30 121.27 2k3k s MET 79 Ca 0.60 1.97 0.03 0.00 -1.71 0.00 0.00 55.69 56.59 2k3k s MET 79 Cb -0.33 -2.08 0.00 0.00 2.01 0.00 0.00 34.83 34.44 2k3k s MET 79 CO 0.31 -1.16 -0.16 -0.65 -0.01 0.00 0.00 175.02 173.34 2k3k s GLN 80 N -3.12 1.91 0.10 2.03 -1.52 -0.80 -1.16 119.66 117.10 2k3k s GLN 80 Ca 0.75 -0.56 0.01 0.00 -1.95 0.00 0.00 55.36 53.60 2k3k s GLN 80 Cb -0.34 -1.58 -0.04 0.00 -0.22 0.00 0.00 33.01 30.83 2k3k s GLN 80 CO 0.38 0.14 -0.03 0.42 -0.25 0.00 0.00 175.29 175.96 2k3k s ILE 81 N 0.34 0.48 0.22 1.08 1.01 -1.26 -0.23 121.20 122.84 2k3k s ILE 81 Ca -0.10 -1.91 -0.22 0.00 0.00 0.00 0.00 60.65 58.42 2k3k s ILE 81 Cb -0.14 -1.77 0.06 0.00 0.01 0.00 0.00 42.46 40.62 2k3k s ILE 81 CO 0.04 -0.78 0.93 0.00 0.00 0.00 0.00 174.94 175.13 2k3k s ALA 82 N -3.77 -1.43 0.55 9.38 0.00 -0.69 -5.01 121.76 120.79 2k3k s ALA 82 Ca 0.14 -0.23 -0.17 0.00 0.00 0.00 0.00 51.96 51.71 2k3k s ALA 82 Cb 0.06 0.71 -0.06 0.00 0.00 0.00 0.00 23.12 23.83 2k3k s ALA 82 CO -0.04 -1.04 1.04 1.52 0.00 0.00 0.00 175.76 177.24 2k3k s TYR 83 N -2.82 3.05 0.32 0.00 1.13 -1.26 -0.76 117.35 117.01 2k3k s TYR 83 Ca 0.16 1.53 -0.29 0.00 -1.41 0.00 0.00 57.07 57.05 2k3k s TYR 83 Cb -0.03 -3.00 -0.11 0.00 -1.10 0.00 0.00 41.96 37.73 2k3k s TYR 83 CO 0.05 -0.92 1.48 -1.12 -2.51 0.00 0.00 175.55 172.54 2k3k s SER 84 N -2.58 6.47 -0.11 -0.18 0.01 -0.71 -4.56 113.70 112.04 2k3k s SER 84 Ca 0.64 2.90 0.24 0.00 1.31 0.00 0.00 55.95 61.04 2k3k s SER 84 Cb -0.15 -2.65 0.46 0.00 0.21 0.00 0.00 66.02 63.89 2k3k s SER 84 CO 0.31 -0.81 1.15 0.29 0.41 0.00 0.00 173.24 174.59 2k3k n LYS 85 N 1.34 0.78 0.00 12.44 5.02 -1.26 -4.98 118.16 131.49 2k3k n LYS 85 Ca 0.04 -2.64 0.00 0.00 -2.02 0.00 0.00 58.31 53.69 2k3k n LYS 85 Cb 0.39 -0.70 0.00 0.00 -0.02 0.00 0.00 35.03 34.71 2k3k n LYS 85 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2k3k n SER 86 N 0.01 0.29 -0.15 4.39 7.64 -1.26 -4.48 113.62 120.06 2k3k n SER 86 Ca 0.08 -0.75 -0.03 0.00 1.01 0.00 0.00 58.87 59.18 2k3k n SER 86 Cb 1.00 -0.15 0.05 0.00 -1.01 0.00 0.00 64.21 64.10 2k3k n SER 86 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2k3k h ASP 87 N 0.49 -0.24 -0.38 6.43 3.58 -1.99 -0.86 116.42 123.45 2k3k h ASP 87 Ca 0.00 0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.54 2k3k h ASP 87 Cb 0.15 0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.39 2k3k h ASP 87 CO 0.00 -0.08 0.16 0.28 -2.88 0.00 0.00 179.24 176.72 2k3k h SER 88 N 0.09 0.56 -0.00 2.28 0.02 -1.99 -0.41 113.55 114.10 2k3k h SER 88 Ca 0.23 -0.06 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 2k3k h SER 88 Cb 0.35 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.75 2k3k h SER 88 CO -0.40 0.52 -0.53 -0.78 -1.14 0.00 0.00 176.83 174.49 2k3k h ASP 89 N 0.61 0.47 0.16 3.07 1.82 -1.55 -1.52 116.42 119.49 2k3k h ASP 89 Ca 0.15 -0.76 -0.10 0.00 -0.39 0.00 0.00 57.03 55.92 2k3k h ASP 89 Cb 0.14 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 39.99 2k3k h ASP 89 CO -0.01 1.17 -0.36 0.16 -1.61 0.00 0.00 179.24 178.58 2k3k h ILE 90 N -0.18 1.29 -0.26 2.25 3.07 -1.18 -0.10 117.51 122.40 2k3k h ILE 90 Ca -0.07 -1.42 -0.00 0.00 1.55 0.00 0.00 64.86 64.92 2k3k h ILE 90 Cb 1.25 1.59 -0.01 0.00 -0.27 0.00 0.00 36.82 39.38 2k3k h ILE 90 CO 0.10 0.43 0.14 0.58 -1.05 0.00 0.00 178.15 178.36 2k3k h VAL 91 N 0.24 1.12 -0.89 0.16 2.07 -1.06 -1.47 116.25 116.41 2k3k h VAL 91 Ca 0.03 -0.30 0.03 0.00 0.82 0.00 0.00 66.70 67.28 2k3k h VAL 91 Cb 0.76 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 31.33 2k3k h VAL 91 CO 0.06 0.11 0.58 0.00 0.02 0.00 0.00 177.57 178.34 2k3k h ALA 92 N 1.02 1.18 0.11 1.67 0.00 -0.59 0.50 119.26 123.15 2k3k h ALA 92 Ca 0.09 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.98 2k3k h ALA 92 Cb 0.06 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2k3k h ALA 92 CO -0.01 0.44 -0.25 0.87 0.00 0.00 0.00 179.25 180.30 2k3k h LYS 93 N 1.13 -0.44 0.00 0.00 1.57 -0.69 -0.99 116.57 117.16 2k3k h LYS 93 Ca 0.35 0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 59.05 2k3k h LYS 93 Cb -0.01 0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2k3k h LYS 93 CO -0.11 -0.29 -0.53 -0.84 -0.57 0.00 0.00 179.45 177.10 2k3k h ILE 94 N -0.45 1.38 -0.08 1.86 3.07 -0.83 -2.59 117.51 119.86 2k3k h ILE 94 Ca 0.03 -1.83 -0.07 0.00 1.55 0.00 0.00 64.86 64.54 2k3k h ILE 94 Cb 0.48 1.99 -0.01 0.00 -0.27 0.00 0.00 36.82 39.01 2k3k h ILE 94 CO -0.15 0.52 -0.28 0.11 -1.05 0.00 0.00 178.15 177.30 2k3k h LYS 95 N 0.00 0.15 0.00 0.16 1.79 -0.68 -3.46 116.57 114.53 2k3k h LYS 95 Ca -0.01 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 2k3k h LYS 95 Cb 0.95 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2k3k h LYS 95 CO 0.07 0.43 0.00 0.41 -1.08 0.00 0.00 179.45 179.28 2k3k n GLY 96 N -0.58 -0.83 3.54 3.86 0.00 -0.44 -4.54 105.19 106.20 2k3k n GLY 96 Ca -0.01 0.34 -0.14 0.00 0.00 0.00 0.00 46.02 46.21 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 -2.00 0.00 -0.92 2.61 2.01 -0.79 -4.87 115.64 111.67 2k3k s THR 97 Ca 0.00 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.00 2k3k s THR 97 Cb 0.00 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.51 2k3k s THR 97 CO 0.00 0.00 0.96 2.22 -0.69 0.00 0.00 174.62 177.11 2k3k n PHE 98 N 0.73 0.00 -1.92 4.92 1.16 -1.26 -2.12 117.46 118.97 2k3k n PHE 98 Ca -0.14 0.00 0.02 0.00 -1.87 0.00 0.00 57.45 55.45 2k3k n PHE 98 Cb 0.58 -0.46 0.02 0.00 -1.61 0.00 0.00 39.48 38.01 2k3k n PHE 98 CO 0.00 0.00 0.00 0.36 -1.87 0.00 0.00 176.76 175.25 2k3k n LYS 99 N -1.46 0.18 -4.05 3.97 2.85 -1.26 -4.85 118.16 113.53 2k3k n LYS 99 Ca 0.00 -1.30 -0.16 0.00 -1.05 0.00 0.00 58.31 55.80 2k3k n LYS 99 Cb 0.04 -0.59 -0.15 0.00 -0.65 0.00 0.00 35.03 33.67 2k3k n LYS 99 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 177.40 175.35 2k3k s GLU 100 N -0.39 0.36 0.47 -1.58 2.12 -0.90 -5.15 118.70 113.64 2k3k s GLU 100 Ca 0.07 -0.08 -0.23 0.00 0.36 0.00 0.00 54.97 55.09 2k3k s GLU 100 Cb 0.07 -0.40 -0.07 0.00 0.26 0.00 0.00 34.13 33.99 2k3k s GLU 100 CO -0.01 0.01 1.20 1.03 -0.54 0.00 0.00 175.26 176.95 2k3k s ARG 101 N 0.29 3.67 0.12 4.30 1.81 -1.26 -4.26 118.95 123.62 2k3k s ARG 101 Ca -0.03 1.85 -0.13 0.00 -1.72 0.00 0.00 55.73 55.70 2k3k s ARG 101 Cb -0.06 -2.39 -0.05 0.00 -0.45 0.00 0.00 34.95 32.00 2k3k s ARG 101 CO -0.01 -0.65 1.47 -1.00 -0.68 0.00 0.00 175.30 174.43 2k3k h PRO 102 N 1.97 0.83 -3.55 3.54 0.13 -1.95 -3.47 132.00 129.51 2k3k h PRO 102 Ca -0.50 -0.42 -0.08 0.00 -0.87 0.00 0.00 66.00 64.14 2k3k h PRO 102 Cb 1.26 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 2k3k h PRO 102 CO 0.60 1.05 -0.26 0.15 -0.23 0.00 0.00 178.00 179.31 2k3k s LYS 103 N -4.45 0.89 0.00 0.86 1.02 -1.26 -5.06 119.74 111.73 2k3k s LYS 103 Ca -0.12 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.11 2k3k s LYS 103 Cb 0.10 0.38 0.00 0.00 -0.52 0.00 0.00 37.83 37.79 2k3k s LYS 103 CO 0.85 -0.30 0.44 1.17 -0.92 0.00 0.00 175.35 176.59