#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 0.43 -0.02 0.03 2.12 -1.26 -5.14 118.70 114.86 2k3k s GLU 2 Ca 0.00 0.51 0.02 0.00 0.36 0.00 0.00 54.97 55.86 2k3k s GLU 2 Cb 0.00 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.60 2k3k s GLU 2 CO 0.00 -0.05 -0.08 -1.64 -0.54 0.00 0.00 175.26 172.95 2k3k s MET 3 N 0.19 0.77 0.48 4.30 -1.94 -1.26 -5.12 119.30 116.74 2k3k s MET 3 Ca -0.00 -0.26 -0.19 0.00 -1.71 0.00 0.00 55.69 53.53 2k3k s MET 3 Cb -0.03 -0.74 -0.09 0.00 2.01 0.00 0.00 34.83 35.98 2k3k s MET 3 CO 0.01 0.11 1.00 -0.51 -0.01 0.00 0.00 175.02 175.62 2k3k s LEU 4 N 0.11 3.80 0.25 -0.03 1.43 -1.26 -5.00 118.68 117.98 2k3k s LEU 4 Ca -0.01 1.76 -0.31 0.00 -1.03 0.00 0.00 54.13 54.54 2k3k s LEU 4 Cb -0.07 -4.54 -0.13 0.00 0.03 0.00 0.00 46.19 41.48 2k3k s LEU 4 CO 0.00 -0.64 1.43 -2.65 0.23 0.00 0.00 176.35 174.72 2k3k n PRO 5 N -1.09 2.11 -3.52 1.29 -0.02 -1.26 -4.77 135.00 127.73 2k3k n PRO 5 Ca 0.08 0.75 -0.16 0.00 -2.02 0.00 0.00 63.50 62.15 2k3k n PRO 5 Cb 0.53 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.54 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 0.30 -0.59 0.36 2.55 2.47 -1.26 -5.05 114.94 113.72 2k3k s ASN 6 Ca 0.68 0.60 0.27 0.00 0.42 0.00 0.00 52.86 54.83 2k3k s ASN 6 Cb -0.63 0.50 1.17 0.00 -1.45 0.00 0.00 41.25 40.84 2k3k s ASN 6 CO 0.50 -0.58 1.81 -0.61 -3.72 0.00 0.00 177.10 174.50 2k3k h GLN 7 N 2.84 0.00 -5.61 0.43 4.15 -1.88 -3.43 115.11 111.61 2k3k h GLN 7 Ca -0.26 0.00 -0.51 0.00 0.77 0.00 0.00 58.65 58.66 2k3k h GLN 7 Cb 1.16 0.00 -0.26 0.00 0.21 0.00 0.00 27.48 28.58 2k3k h GLN 7 CO 0.37 0.00 -0.82 0.99 -1.93 0.00 0.00 178.83 177.45 2k3k s THR 8 N -3.47 1.33 0.26 2.39 2.01 -1.26 -1.08 115.64 115.82 2k3k s THR 8 Ca 0.02 -0.98 0.09 0.00 0.31 0.00 0.00 61.69 61.14 2k3k s THR 8 Cb 0.09 -1.16 -0.05 0.00 0.01 0.00 0.00 72.50 71.39 2k3k s THR 8 CO 0.41 0.16 -0.14 0.27 -0.69 0.00 0.00 174.62 174.63 2k3k s ILE 9 N -0.70 2.05 -0.05 1.82 -4.36 -0.39 -1.90 121.20 117.67 2k3k s ILE 9 Ca 0.05 -2.27 0.04 0.00 -0.26 0.00 0.00 60.65 58.21 2k3k s ILE 9 Cb -0.08 -2.28 -0.00 0.00 1.25 0.00 0.00 42.46 41.35 2k3k s ILE 9 CO 0.01 -0.42 -0.17 -0.47 0.24 0.00 0.00 174.94 174.13 2k3k s TYR 10 N -2.77 1.70 0.05 1.37 5.04 0.07 -2.25 117.35 120.57 2k3k s TYR 10 Ca 0.28 -0.52 0.09 0.00 -2.44 0.00 0.00 57.07 54.48 2k3k s TYR 10 Cb -0.01 -1.16 -0.03 0.00 0.35 0.00 0.00 41.96 41.11 2k3k s TYR 10 CO 0.12 -0.19 -0.25 0.42 -1.34 0.00 0.00 175.55 174.31 2k3k s ILE 11 N 0.13 2.01 0.24 3.14 1.01 -0.11 -1.22 121.20 126.41 2k3k s ILE 11 Ca -0.06 -1.36 -0.09 0.00 0.00 0.00 0.00 60.65 59.14 2k3k s ILE 11 Cb -0.12 -1.73 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 2k3k s ILE 11 CO 0.03 0.31 0.39 0.20 0.00 0.00 0.00 174.94 175.86 2k3k s ASN 12 N -1.26 0.02 -0.96 3.58 0.01 0.54 -2.50 114.94 114.36 2k3k s ASN 12 Ca 0.11 -1.08 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 2k3k s ASN 12 Cb -0.10 0.54 0.00 0.00 0.41 0.00 0.00 41.25 42.10 2k3k s ASN 12 CO 0.02 -1.07 0.00 -3.20 -1.51 0.00 0.00 177.10 171.34 2k3k n ASN 13 N -0.40 -3.48 -4.77 -1.22 5.15 -1.15 -1.45 115.26 107.93 2k3k n ASN 13 Ca -0.00 0.24 -0.37 0.00 -0.60 0.00 0.00 54.58 53.84 2k3k n ASN 13 Cb 0.63 -3.02 -0.01 0.00 -0.53 0.00 0.00 39.78 36.85 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 -5.28 4.02 -0.18 1.20 0.20 -0.71 -4.53 118.68 113.40 2k3k s LEU 14 Ca 0.00 2.33 -0.29 0.00 0.69 0.00 0.00 54.13 56.86 2k3k s LEU 14 Cb 0.00 -4.22 -0.04 0.00 -0.43 0.00 0.00 46.19 41.49 2k3k s LEU 14 CO 0.00 -0.93 1.77 0.21 -0.29 0.00 0.00 176.35 177.11 2k3k s ASN 15 N -1.32 6.24 0.19 3.68 3.84 -1.26 -4.39 114.94 121.91 2k3k s ASN 15 Ca 0.63 1.84 0.15 0.00 0.21 0.00 0.00 52.86 55.69 2k3k s ASN 15 Cb -0.29 -2.53 0.74 0.00 -0.55 0.00 0.00 41.25 38.62 2k3k s ASN 15 CO 0.36 -1.34 1.45 -1.84 -2.79 0.00 0.00 177.10 172.94 2k3k n GLU 16 N 7.82 0.09 0.00 0.43 0.28 -1.26 -1.97 120.64 126.04 2k3k n GLU 16 Ca 0.21 0.53 -0.06 0.00 -0.16 0.00 0.00 57.16 57.68 2k3k n GLU 16 Cb 0.44 -1.77 0.14 0.00 1.43 0.00 0.00 31.44 31.69 2k3k n GLU 16 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 177.13 178.54 2k3k h LYS 17 N 0.00 0.52 -6.07 3.44 2.10 -1.89 -3.41 116.57 111.26 2k3k h LYS 17 Ca 0.00 -0.24 -0.61 0.00 -2.00 0.00 0.00 60.65 57.80 2k3k h LYS 17 Cb 0.08 -0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2k3k h LYS 17 CO 0.00 0.80 1.39 -0.89 -2.00 0.00 0.00 179.45 178.75 2k3k n ILE 18 N -4.06 0.39 -0.98 0.07 2.08 -0.83 -4.95 119.36 111.08 2k3k n ILE 18 Ca -0.01 -0.32 -0.30 0.00 0.56 0.00 0.00 62.75 62.67 2k3k n ILE 18 Cb 0.48 -2.21 0.15 0.00 -0.75 0.00 0.00 39.64 37.31 2k3k n ILE 18 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2k3k s LYS 19 N 5.78 1.14 0.21 0.38 2.20 -1.26 -4.69 119.74 123.50 2k3k s LYS 19 Ca 1.01 1.13 -0.09 0.00 -0.36 0.00 0.00 55.97 57.65 2k3k s LYS 19 Cb -0.53 -1.77 0.27 0.00 -1.51 0.00 0.00 37.83 34.29 2k3k s LYS 19 CO 0.42 -2.41 1.76 -0.22 -0.36 0.00 0.00 175.35 174.54 2k3k h LYS 20 N -1.69 0.47 -0.63 4.03 3.11 -1.90 0.68 116.57 120.65 2k3k h LYS 20 Ca -0.48 -0.03 -0.04 0.00 -2.81 0.00 0.00 60.65 57.30 2k3k h LYS 20 Cb 1.27 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 32.37 2k3k h LYS 20 CO 0.49 0.31 0.25 1.49 -2.81 0.00 0.00 179.45 179.19 2k3k h GLU 21 N 0.49 0.94 -0.47 1.90 4.81 -1.95 -0.24 114.58 120.05 2k3k h GLU 21 Ca 0.31 -0.17 -0.12 0.00 -0.13 0.00 0.00 59.36 59.25 2k3k h GLU 21 Cb 0.33 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 2k3k h GLU 21 CO -0.27 0.80 -0.16 0.93 -0.73 0.00 0.00 179.01 179.57 2k3k h GLU 22 N 0.89 0.95 -0.18 1.92 5.08 -1.60 -0.16 114.58 121.48 2k3k h GLU 22 Ca 0.21 -0.39 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 2k3k h GLU 22 Cb 0.21 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 2k3k h GLU 22 CO -0.02 1.05 -0.01 1.25 -1.00 0.00 0.00 179.01 180.28 2k3k h LEU 23 N 0.80 -0.09 -0.22 1.33 7.12 -0.76 0.18 115.31 123.66 2k3k h LEU 23 Ca 0.11 0.04 0.01 0.00 0.13 0.00 0.00 57.88 58.17 2k3k h LEU 23 Cb 0.73 0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.93 2k3k h LEU 23 CO 0.06 -0.02 0.14 0.50 -0.13 0.00 0.00 178.44 178.98 2k3k h LYS 24 N 0.04 0.27 -0.38 1.25 3.64 -0.60 -0.38 116.57 120.41 2k3k h LYS 24 Ca 0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2k3k h LYS 24 Cb 0.11 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2k3k h LYS 24 CO -0.15 0.18 0.24 0.87 -2.27 0.00 0.00 179.45 178.32 2k3k h LYS 25 N 0.28 0.50 -0.61 1.90 1.57 -0.87 -1.51 116.57 117.84 2k3k h LYS 25 Ca 0.08 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.78 2k3k h LYS 25 Cb -0.02 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2k3k h LYS 25 CO -0.03 0.35 0.18 0.77 -0.57 0.00 0.00 179.45 180.16 2k3k h SER 26 N 0.51 0.89 0.03 0.86 0.02 -0.45 0.18 113.55 115.59 2k3k h SER 26 Ca 0.14 -0.21 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k3k h SER 26 Cb -0.03 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 62.27 2k3k h SER 26 CO -0.03 0.87 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.45 2k3k h LEU 27 N 0.87 -0.03 -1.11 5.07 3.38 -0.98 -1.09 115.31 121.41 2k3k h LEU 27 Ca 0.20 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 2k3k h LEU 27 Cb 0.30 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2k3k h LEU 27 CO -0.00 0.06 0.40 0.22 0.09 0.00 0.00 178.44 179.20 2k3k h TYR 28 N -0.12 1.00 -0.20 1.13 3.20 -0.98 0.78 116.97 121.78 2k3k h TYR 28 Ca -0.00 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.74 2k3k h TYR 28 Cb 0.11 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2k3k h TYR 28 CO -0.05 0.69 -0.34 0.00 -1.64 0.00 0.00 178.16 176.83 2k3k h ALA 29 N 1.42 1.04 0.00 1.82 0.00 -0.34 -3.37 119.26 119.83 2k3k h ALA 29 Ca 0.26 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k3k h ALA 29 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k3k h ALA 29 CO -0.04 0.59 -0.34 -0.89 0.00 0.00 0.00 179.25 178.57 2k3k n ILE 30 N -4.07 0.60 -0.03 0.00 5.41 -0.44 -4.68 119.36 116.15 2k3k n ILE 30 Ca -0.01 0.20 -0.01 0.00 1.00 0.00 0.00 62.75 63.93 2k3k n ILE 30 Cb 0.45 -1.36 0.26 0.00 -0.71 0.00 0.00 39.64 38.28 2k3k n ILE 30 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 2k3k h PHE 31 N 0.00 0.62 -0.33 1.39 -1.00 -1.00 -0.95 116.94 115.66 2k3k h PHE 31 Ca 0.00 -0.07 -0.00 0.00 2.81 0.00 0.00 57.97 60.71 2k3k h PHE 31 Cb 0.34 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.70 2k3k h PHE 31 CO 0.00 0.60 0.20 0.77 -1.61 0.00 0.00 178.31 178.27 2k3k h SER 32 N 0.56 0.39 0.35 2.17 0.02 -1.63 -1.02 113.55 114.41 2k3k h SER 32 Ca 0.12 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.05 2k3k h SER 32 Cb 0.36 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2k3k h SER 32 CO 0.01 0.30 0.00 0.00 -1.14 0.00 0.00 176.83 176.00 2k3k n GLN 33 N -4.47 0.13 -0.02 3.45 6.02 -0.36 -0.79 117.38 121.34 2k3k n GLN 33 Ca 0.02 0.49 0.01 0.00 -0.01 0.00 0.00 57.00 57.51 2k3k n GLN 33 Cb 0.08 -1.81 0.02 0.00 1.02 0.00 0.00 30.24 29.55 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 -2.06 0.05 0.00 1.08 3.72 -0.43 -4.88 117.46 114.93 2k3k n PHE 34 Ca 0.01 -0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.14 2k3k n PHE 34 Cb 0.12 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 38.64 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 -0.10 0.00 2.39 1.37 0.00 -0.90 -2.02 105.19 105.92 2k3k n GLY 35 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.78 -1.45 1.61 -0.06 0.03 -3.92 117.38 112.81 2k3k n GLN 36 Ca 0.00 0.74 -0.36 0.00 -2.00 0.00 0.00 57.00 55.39 2k3k n GLN 36 Cb 0.00 -0.63 0.09 0.00 -4.06 0.00 0.00 30.24 25.64 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 2.21 3.45 -0.01 1.69 5.41 -1.26 -1.03 119.36 129.83 2k3k n ILE 37 Ca 0.00 -0.39 -0.02 0.00 1.00 0.00 0.00 62.75 63.34 2k3k n ILE 37 Cb 0.00 -1.26 -0.01 0.00 -0.71 0.00 0.00 39.64 37.66 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 -2.04 2.55 -3.65 1.39 -0.00 0.72 -4.57 117.00 111.39 2k3k n LEU 38 Ca 0.14 -0.01 -0.10 0.00 -0.00 0.00 0.00 56.01 56.04 2k3k n LEU 38 Cb 0.49 -0.08 -0.04 0.00 -0.00 0.00 0.00 43.42 43.79 2k3k n LEU 38 CO 0.48 0.46 0.25 -0.62 -0.00 0.00 0.00 177.39 177.97 2k3k s ASP 39 N -4.39 -0.30 0.01 1.96 2.15 -0.62 -4.98 116.67 110.50 2k3k s ASP 39 Ca -0.03 -0.35 0.01 0.00 0.43 0.00 0.00 52.55 52.61 2k3k s ASP 39 Cb 0.01 0.55 -0.01 0.00 -0.30 0.00 0.00 42.92 43.17 2k3k s ASP 39 CO 0.05 -0.97 -0.05 -0.63 -0.17 0.00 0.00 175.17 173.40 2k3k s ILE 40 N -3.83 0.35 -0.22 4.11 1.01 -1.26 -0.43 121.20 120.93 2k3k s ILE 40 Ca 0.06 -0.41 -0.04 0.00 0.00 0.00 0.00 60.65 60.26 2k3k s ILE 40 Cb -0.00 -0.34 0.07 0.00 0.01 0.00 0.00 42.46 42.20 2k3k s ILE 40 CO -0.07 -0.05 0.08 -0.69 0.00 0.00 0.00 174.94 174.21 2k3k s VAL 41 N -0.46 0.22 0.24 2.92 1.01 -0.06 -4.98 120.40 119.29 2k3k s VAL 41 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 61.98 61.34 2k3k s VAL 41 Cb -0.04 -0.92 -0.02 0.00 0.00 0.00 0.00 36.38 35.40 2k3k s VAL 41 CO -0.00 -0.38 0.36 0.00 0.00 0.00 0.00 175.10 175.07 2k3k s ALA 42 N 1.98 0.35 0.08 5.51 0.00 -1.26 -0.95 121.76 127.47 2k3k s ALA 42 Ca 0.03 -1.23 -0.06 0.00 0.00 0.00 0.00 51.96 50.70 2k3k s ALA 42 Cb -0.16 1.19 -0.01 0.00 0.00 0.00 0.00 23.12 24.13 2k3k s ALA 42 CO -0.16 -0.76 0.12 -1.17 0.00 0.00 0.00 175.76 173.80 2k3k s LEU 43 N -3.09 1.73 0.46 0.00 2.96 -1.14 -4.99 118.68 114.61 2k3k s LEU 43 Ca 0.29 -0.79 0.26 0.00 -0.22 0.00 0.00 54.13 53.67 2k3k s LEU 43 Cb 0.02 0.77 0.78 0.00 0.50 0.00 0.00 46.19 48.26 2k3k s LEU 43 CO 0.11 -0.70 1.76 0.11 -1.32 0.00 0.00 176.35 176.32 2k3k h LYS 44 N 2.86 0.00 -6.88 1.98 1.57 -1.97 -3.36 116.57 110.77 2k3k h LYS 44 Ca -0.34 0.00 -0.52 0.00 -1.87 0.00 0.00 60.65 57.92 2k3k h LYS 44 Cb 1.18 0.00 0.06 0.00 0.08 0.00 0.00 32.23 33.55 2k3k h LYS 44 CO 0.59 0.09 0.59 0.95 -0.57 0.00 0.00 179.45 181.10 2k3k s THR 45 N -3.42 2.91 0.52 -0.16 -4.23 -1.26 -4.87 115.64 105.13 2k3k s THR 45 Ca 0.04 0.89 0.24 0.00 -1.18 0.00 0.00 61.69 61.68 2k3k s THR 45 Cb 0.08 -3.56 0.40 0.00 1.34 0.00 0.00 72.50 70.75 2k3k s THR 45 CO 0.63 0.20 1.99 0.17 -0.54 0.00 0.00 174.62 177.06 2k3k h LEU 46 N 3.34 0.04 -1.61 4.79 -0.00 -1.90 -0.10 115.31 119.87 2k3k h LEU 46 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.40 2k3k h LEU 46 Cb 1.23 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2k3k h LEU 46 CO 0.65 0.02 0.11 0.07 -0.00 0.00 0.00 178.44 179.30 2k3k h LYS 47 N 0.04 0.00 0.00 0.17 2.10 -1.92 -0.74 116.57 116.23 2k3k h LYS 47 Ca 0.27 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.91 2k3k h LYS 47 Cb 1.01 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.32 2k3k h LYS 47 CO -0.01 0.00 -0.30 -1.33 -2.00 0.00 0.00 179.45 175.81 2k3k n MET 48 N -2.41 0.76 -0.09 0.07 2.81 -0.06 -4.52 117.12 113.68 2k3k n MET 48 Ca -0.02 -2.04 -0.12 0.00 -1.81 0.00 0.00 57.70 53.71 2k3k n MET 48 Cb 0.15 -1.05 -0.09 0.00 -0.71 0.00 0.00 33.22 31.53 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 -0.76 0.59 0.00 0.03 1.74 -0.32 -2.90 116.66 115.04 2k3k n ARG 49 Ca 0.10 0.09 0.11 0.00 -0.77 0.00 0.00 57.85 57.38 2k3k n ARG 49 Cb 0.70 -1.36 0.51 0.00 -1.02 0.00 0.00 32.46 31.29 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k3k n GLY 50 N 2.57 -1.20 3.33 -0.13 0.00 -0.96 -4.35 105.19 104.44 2k3k n GLY 50 Ca -0.31 -0.09 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.87 1.08 0.25 1.61 -2.07 -1.26 -1.74 119.66 114.67 2k3k s GLN 51 Ca 0.14 -0.74 -0.21 0.00 -1.82 0.00 0.00 55.36 52.72 2k3k s GLN 51 Cb 0.15 0.46 0.04 0.00 -1.09 0.00 0.00 33.01 32.58 2k3k s GLN 51 CO 0.39 -0.42 0.83 0.00 -1.32 0.00 0.00 175.29 174.77 2k3k s ALA 52 N -3.82 -1.30 0.09 2.60 0.00 -1.04 -4.42 121.76 113.87 2k3k s ALA 52 Ca 0.04 -0.26 0.03 0.00 0.00 0.00 0.00 51.96 51.77 2k3k s ALA 52 Cb 0.02 0.75 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2k3k s ALA 52 CO -0.11 -1.03 -0.08 -0.06 0.00 0.00 0.00 175.76 174.47 2k3k s PHE 53 N -3.29 0.92 -0.19 0.00 0.40 -0.12 -0.93 117.98 114.77 2k3k s PHE 53 Ca 0.13 -0.73 -0.19 0.00 -0.60 0.00 0.00 56.93 55.55 2k3k s PHE 53 Cb -0.04 -0.52 0.05 0.00 0.51 0.00 0.00 43.02 43.02 2k3k s PHE 53 CO 0.06 -0.07 0.53 0.54 0.70 0.00 0.00 175.22 176.98 2k3k s VAL 54 N -2.71 0.00 -0.03 -0.44 0.11 -0.95 -0.89 120.40 115.49 2k3k s VAL 54 Ca 0.05 -0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 2k3k s VAL 54 Cb -0.01 -0.75 -0.03 0.00 -1.53 0.00 0.00 36.38 34.06 2k3k s VAL 54 CO -0.02 -0.01 -0.15 -0.63 -3.33 0.00 0.00 175.10 170.96 2k3k s ILE 55 N 0.16 3.03 0.42 7.04 1.09 0.43 -1.27 121.20 132.10 2k3k s ILE 55 Ca -0.01 -0.80 0.04 0.00 -1.10 0.00 0.00 60.65 58.78 2k3k s ILE 55 Cb -0.04 -2.20 -0.05 0.00 -1.06 0.00 0.00 42.46 39.11 2k3k s ILE 55 CO 0.01 0.54 0.03 -0.36 -0.10 0.00 0.00 174.94 175.06 2k3k s PHE 56 N -0.77 2.17 0.21 3.97 0.40 -0.24 -0.20 117.98 123.51 2k3k s PHE 56 Ca 0.12 -0.86 -0.10 0.00 -0.60 0.00 0.00 56.93 55.49 2k3k s PHE 56 Cb -0.11 -1.58 0.30 0.00 0.51 0.00 0.00 43.02 42.14 2k3k s PHE 56 CO 0.02 0.24 1.69 -0.22 0.70 0.00 0.00 175.22 177.65 2k3k h LYS 57 N 1.71 0.21 -2.90 0.44 3.64 -1.20 -3.41 116.57 115.07 2k3k h LYS 57 Ca -0.43 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 58.90 2k3k h LYS 57 Cb 1.27 -0.05 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 2k3k h LYS 57 CO 0.75 0.14 0.09 -2.00 -2.27 0.00 0.00 179.45 176.16 2k3k s GLU 58 N -6.11 1.13 0.43 1.90 2.56 -1.26 -5.05 118.70 112.28 2k3k s GLU 58 Ca -0.13 -0.36 0.09 0.00 0.00 0.00 0.00 54.97 54.57 2k3k s GLU 58 Cb 0.18 0.52 0.92 0.00 2.00 0.00 0.00 34.13 37.75 2k3k s GLU 58 CO 0.74 -0.44 2.04 -0.84 -0.56 0.00 0.00 175.26 176.20 2k3k h ILE 59 N 2.45 1.10 -0.25 -3.70 3.07 -1.89 0.58 117.51 118.87 2k3k h ILE 59 Ca -0.32 -0.31 -0.19 0.00 1.55 0.00 0.00 64.86 65.60 2k3k h ILE 59 Cb 1.25 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 2k3k h ILE 59 CO 0.41 0.12 -0.57 1.23 -1.05 0.00 0.00 178.15 178.28 2k3k h GLY 60 N 0.48 0.91 1.07 0.16 0.00 -1.97 -0.86 103.07 102.86 2k3k h GLY 60 Ca 0.09 -1.11 -0.11 0.00 0.00 0.00 0.00 47.33 46.20 2k3k h GLY 60 CO -0.01 0.99 -0.11 1.76 0.00 0.00 0.00 176.54 179.17 2k3k h SER 61 N 0.59 0.99 -0.33 0.19 0.02 -1.70 -1.00 113.55 112.30 2k3k h SER 61 Ca -0.00 -0.35 0.03 0.00 -0.84 0.00 0.00 61.79 60.63 2k3k h SER 61 Cb 1.19 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 63.42 2k3k h SER 61 CO 0.13 1.11 0.12 0.00 -1.14 0.00 0.00 176.83 177.05 2k3k h ALA 62 N 0.91 0.39 -0.70 3.77 0.00 -0.87 -1.39 119.26 121.36 2k3k h ALA 62 Ca 0.13 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.11 2k3k h ALA 62 Cb 0.67 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2k3k h ALA 62 CO 0.05 -0.27 0.44 0.77 0.00 0.00 0.00 179.25 180.24 2k3k h SER 63 N 0.27 0.72 -0.30 0.00 0.02 -0.71 0.32 113.55 113.87 2k3k h SER 63 Ca 0.15 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.07 2k3k h SER 63 Cb 0.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2k3k h SER 63 CO -0.14 0.50 0.08 -1.13 -1.14 0.00 0.00 176.83 175.00 2k3k h ASN 64 N 0.86 0.44 0.10 3.07 -1.24 -0.84 -0.21 115.58 117.76 2k3k h ASN 64 Ca 0.28 -0.22 0.01 0.00 0.71 0.00 0.00 56.30 57.09 2k3k h ASN 64 Cb 0.03 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 38.94 2k3k h ASN 64 CO -0.11 0.54 -0.15 0.00 -1.29 0.00 0.00 177.43 176.43 2k3k h ALA 65 N 0.92 -0.25 0.22 1.57 0.00 -0.64 -1.04 119.26 120.03 2k3k h ALA 65 Ca 0.09 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 2k3k h ALA 65 Cb 0.27 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2k3k h ALA 65 CO -0.00 -0.67 -0.40 1.25 0.00 0.00 0.00 179.25 179.43 2k3k h LEU 66 N -0.29 -1.14 -0.49 0.00 6.46 -0.76 -0.99 115.31 118.10 2k3k h LEU 66 Ca 0.02 0.12 -0.16 0.00 -0.12 0.00 0.00 57.88 57.73 2k3k h LEU 66 Cb 0.31 0.41 -0.01 0.00 -0.73 0.00 0.00 40.66 40.64 2k3k h LEU 66 CO -0.07 -0.50 -0.54 -0.09 -0.62 0.00 0.00 178.44 176.62 2k3k h ARG 67 N -0.70 0.61 -0.58 1.25 2.43 -0.99 -0.78 114.38 115.64 2k3k h ARG 67 Ca 0.00 -0.38 -0.09 0.00 -0.81 0.00 0.00 59.98 58.71 2k3k h ARG 67 Cb 0.68 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2k3k h ARG 67 CO -0.17 0.99 0.03 1.15 -1.51 0.00 0.00 179.97 180.46 2k3k h THR 68 N 0.47 1.26 0.00 0.20 2.02 -1.07 -3.17 112.91 112.63 2k3k h THR 68 Ca 0.01 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.10 2k3k h THR 68 Cb 1.09 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 68.32 2k3k h THR 68 CO 0.10 0.39 -0.42 0.23 0.37 0.00 0.00 175.52 176.20 2k3k n MET 69 N -4.25 0.03 -1.68 6.66 2.81 -0.39 -4.68 117.12 115.62 2k3k n MET 69 Ca 0.02 0.01 -0.47 0.00 -1.81 0.00 0.00 57.70 55.45 2k3k n MET 69 Cb 0.32 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.27 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 -1.55 2.19 -0.81 0.03 -0.06 -0.31 -1.24 117.38 115.61 2k3k n GLN 70 Ca 0.06 0.80 0.00 0.00 -2.00 0.00 0.00 57.00 55.85 2k3k n GLN 70 Cb 0.34 -2.61 0.00 0.00 -4.06 0.00 0.00 30.24 23.91 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 3.98 0.58 3.75 1.69 0.00 -0.20 -4.96 105.19 110.03 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 -2.73 3.41 -1.20 1.61 5.36 -0.38 -4.32 117.98 119.74 2k3k s PHE 72 Ca 0.00 1.53 -0.19 0.00 -0.96 0.00 0.00 56.93 57.31 2k3k s PHE 72 Cb 0.00 -3.43 -0.02 0.00 -0.34 0.00 0.00 43.02 39.23 2k3k s PHE 72 CO 0.00 -1.09 1.95 -0.35 -1.46 0.00 0.00 175.22 174.27 2k3k n PRO 73 N 1.60 2.38 -0.05 10.12 -0.04 -1.26 -0.99 135.00 146.77 2k3k n PRO 73 Ca 0.01 -2.62 0.02 0.00 -0.04 0.00 0.00 63.50 60.88 2k3k n PRO 73 Cb 0.44 -3.38 0.36 0.00 -0.04 0.00 0.00 33.50 30.88 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 7.73 0.62 -0.94 0.54 3.57 -1.92 -3.45 116.94 123.09 2k3k h PHE 74 Ca 0.42 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 2k3k h PHE 74 Cb 0.78 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.32 2k3k h PHE 74 CO 1.35 0.43 0.00 0.66 -2.23 0.00 0.00 178.31 178.52 2k3k n TYR 75 N -4.42 0.00 0.35 0.41 4.01 -1.26 -5.01 117.16 111.23 2k3k n TYR 75 Ca 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.78 2k3k n TYR 75 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.00 0.43 -3.85 7.72 2.03 -1.26 -4.56 116.55 117.06 2k3k n ASP 76 Ca 0.00 -0.70 -0.12 0.00 0.52 0.00 0.00 54.79 54.48 2k3k n ASP 76 Cb 0.00 -0.18 -0.14 0.00 -0.72 0.00 0.00 41.12 40.08 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 -0.82 0.02 0.09 -0.67 1.02 -1.26 -5.07 119.74 113.05 2k3k s LYS 77 Ca 0.00 0.05 -0.31 0.00 0.02 0.00 0.00 55.97 55.73 2k3k s LYS 77 Cb 0.00 -0.01 -0.07 0.00 -0.52 0.00 0.00 37.83 37.22 2k3k s LYS 77 CO 0.00 -0.02 1.37 -1.25 -0.92 0.00 0.00 175.35 174.53 2k3k s PRO 78 N 0.13 4.33 0.55 -1.68 0.04 -1.26 -3.69 135.00 133.41 2k3k s PRO 78 Ca -0.01 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.85 2k3k s PRO 78 Cb -0.01 -3.30 -0.05 0.00 0.04 0.00 0.00 34.50 31.17 2k3k s PRO 78 CO -0.00 -0.44 1.30 -1.64 0.04 0.00 0.00 177.00 176.26 2k3k s MET 79 N 1.28 3.15 -0.09 4.56 -1.94 -0.16 -4.81 119.30 121.29 2k3k s MET 79 Ca 0.64 2.09 0.04 0.00 -1.71 0.00 0.00 55.69 56.74 2k3k s MET 79 Cb -0.35 -2.19 0.00 0.00 2.01 0.00 0.00 34.83 34.30 2k3k s MET 79 CO 0.30 -1.13 -0.21 -0.65 -0.01 0.00 0.00 175.02 173.31 2k3k s GLN 80 N -2.98 2.73 0.03 2.03 -0.21 -0.53 -1.03 119.66 119.70 2k3k s GLN 80 Ca 0.72 -0.77 0.01 0.00 0.02 0.00 0.00 55.36 55.35 2k3k s GLN 80 Cb -0.37 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.53 2k3k s GLN 80 CO 0.43 0.14 -0.06 0.42 -2.12 0.00 0.00 175.29 174.10 2k3k s ILE 81 N 0.42 0.40 0.16 1.08 1.01 -1.26 -0.34 121.20 122.67 2k3k s ILE 81 Ca -0.18 -0.99 -0.04 0.00 0.00 0.00 0.00 60.65 59.44 2k3k s ILE 81 Cb -0.17 -0.49 -0.03 0.00 0.01 0.00 0.00 42.46 41.78 2k3k s ILE 81 CO 0.08 -0.40 0.16 0.00 0.00 0.00 0.00 174.94 174.78 2k3k s ALA 82 N -1.36 0.62 0.25 9.38 0.00 -0.35 -5.01 121.76 125.28 2k3k s ALA 82 Ca -0.12 -1.32 -0.21 0.00 0.00 0.00 0.00 51.96 50.32 2k3k s ALA 82 Cb -0.10 0.99 -0.09 0.00 0.00 0.00 0.00 23.12 23.93 2k3k s ALA 82 CO -0.00 -0.58 0.78 1.52 0.00 0.00 0.00 175.76 177.48 2k3k s TYR 83 N -4.05 3.64 -1.08 0.00 1.13 -1.26 -0.75 117.35 114.98 2k3k s TYR 83 Ca 0.25 1.47 -0.23 0.00 -1.41 0.00 0.00 57.07 57.15 2k3k s TYR 83 Cb 0.06 -2.68 -0.03 0.00 -1.10 0.00 0.00 41.96 38.20 2k3k s TYR 83 CO 0.04 0.29 1.83 -1.12 -2.51 0.00 0.00 175.55 174.08 2k3k s SER 84 N -1.69 5.57 0.19 -0.18 0.01 -0.80 -4.74 113.70 112.06 2k3k s SER 84 Ca 0.45 -1.43 -0.17 0.00 1.31 0.00 0.00 55.95 56.12 2k3k s SER 84 Cb -0.17 -2.58 0.16 0.00 0.21 0.00 0.00 66.02 63.65 2k3k s SER 84 CO 0.21 -2.43 1.63 0.50 0.41 0.00 0.00 173.24 173.56 2k3k h LYS 85 N 9.92 -0.07 -3.34 12.44 1.63 -1.93 -3.45 116.57 131.77 2k3k h LYS 85 Ca 0.21 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.94 2k3k h LYS 85 Cb 0.96 0.02 -0.15 0.00 -0.60 0.00 0.00 32.23 32.46 2k3k h LYS 85 CO 1.29 -0.05 -0.17 -1.12 -3.45 0.00 0.00 179.45 175.95 2k3k s SER 86 N -5.18 -0.17 0.06 4.20 0.01 -1.26 -5.19 113.70 106.17 2k3k s SER 86 Ca -0.14 -0.25 -0.24 0.00 1.31 0.00 0.00 55.95 56.62 2k3k s SER 86 Cb 0.17 0.41 0.06 0.00 0.21 0.00 0.00 66.02 66.87 2k3k s SER 86 CO 0.71 -0.73 0.57 -0.62 0.41 0.00 0.00 173.24 173.59 2k3k s ASP 87 N -2.42 -0.51 -0.01 2.44 2.15 -1.26 -5.08 116.67 111.98 2k3k s ASP 87 Ca -0.01 0.23 0.02 0.00 0.43 0.00 0.00 52.55 53.22 2k3k s ASP 87 Cb 0.01 0.53 0.02 0.00 -0.30 0.00 0.00 42.92 43.18 2k3k s ASP 87 CO -0.07 -0.76 0.95 -1.20 -0.17 0.00 0.00 175.17 173.92 2k3k n SER 88 N 0.31 0.23 0.00 -0.34 7.64 -1.26 -4.81 113.62 115.39 2k3k n SER 88 Ca -0.18 -1.97 0.00 0.00 1.01 0.00 0.00 58.87 57.73 2k3k n SER 88 Cb 0.61 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.62 2k3k n SER 88 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k3k n ASP 89 N -0.13 0.00 -0.01 6.43 2.03 -1.26 -4.56 116.55 119.05 2k3k n ASP 89 Ca 0.01 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.20 2k3k n ASP 89 Cb 0.66 0.08 0.01 0.00 -0.72 0.00 0.00 41.12 41.15 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 1.31 -0.58 5.18 3.07 -1.95 -0.26 117.51 124.29 2k3k h ILE 90 Ca 0.00 -1.86 0.00 0.00 1.55 0.00 0.00 64.86 64.55 2k3k h ILE 90 Cb 0.00 1.82 -0.03 0.00 -0.27 0.00 0.00 36.82 38.34 2k3k h ILE 90 CO 0.00 0.58 0.38 0.58 -1.05 0.00 0.00 178.15 178.64 2k3k h VAL 91 N 0.48 1.15 -0.84 0.16 2.07 -1.89 -1.27 116.25 116.12 2k3k h VAL 91 Ca -0.01 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 2k3k h VAL 91 Cb 1.19 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2k3k h VAL 91 CO 0.12 0.15 0.39 0.00 0.02 0.00 0.00 177.57 178.25 2k3k h ALA 92 N 1.20 1.11 -0.17 1.67 0.00 -1.74 -1.02 119.26 120.31 2k3k h ALA 92 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2k3k h ALA 92 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 2k3k h ALA 92 CO -0.04 0.67 0.11 -0.22 0.00 0.00 0.00 179.25 179.76 2k3k h LYS 93 N 1.20 0.23 0.00 0.00 1.63 -0.45 -0.10 116.57 119.08 2k3k h LYS 93 Ca 0.29 -0.02 -0.11 0.00 -0.85 0.00 0.00 60.65 59.95 2k3k h LYS 93 Cb 0.14 -0.05 -0.02 0.00 -0.60 0.00 0.00 32.23 31.70 2k3k h LYS 93 CO -0.03 0.18 -0.54 -0.84 -3.45 0.00 0.00 179.45 174.76 2k3k h ILE 94 N 0.21 1.35 -0.53 2.00 3.07 -1.05 -2.75 117.51 119.81 2k3k h ILE 94 Ca 0.06 -1.89 -0.06 0.00 1.55 0.00 0.00 64.86 64.52 2k3k h ILE 94 Cb 0.00 2.03 -0.02 0.00 -0.27 0.00 0.00 36.82 38.56 2k3k h ILE 94 CO -0.01 0.53 0.09 0.11 -1.05 0.00 0.00 178.15 177.82 2k3k h LYS 95 N 0.00 0.88 0.00 0.16 1.57 -0.88 -3.48 116.57 114.83 2k3k h LYS 95 Ca -0.01 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 2k3k h LYS 95 Cb 0.99 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2k3k h LYS 95 CO 0.07 0.86 0.00 0.41 -0.57 0.00 0.00 179.45 180.22 2k3k n GLY 96 N -0.54 -1.95 0.00 3.86 0.00 -0.09 -4.42 105.19 102.06 2k3k n GLY 96 Ca 0.02 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2k3k n GLY 96 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k3k n THR 97 N -2.03 0.00 0.32 2.61 -2.24 -0.96 -4.75 114.28 107.22 2k3k n THR 97 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 2k3k n THR 97 Cb 0.00 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.18 2k3k n THR 97 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2k3k n PHE 98 N -0.53 0.00 -4.17 4.78 7.35 -1.26 -2.70 117.46 120.93 2k3k n PHE 98 Ca 0.00 0.00 -0.12 0.00 -0.76 0.00 0.00 57.45 56.57 2k3k n PHE 98 Cb 0.00 -0.04 -0.05 0.00 0.35 0.00 0.00 39.48 39.75 2k3k n PHE 98 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2k3k n LYS 99 N -1.31 0.27 0.00 -4.13 4.76 -1.26 -4.89 118.16 111.60 2k3k n LYS 99 Ca 0.01 -1.95 0.02 0.00 -2.87 0.00 0.00 58.31 53.53 2k3k n LYS 99 Cb 0.15 1.57 0.12 0.00 -1.84 0.00 0.00 35.03 35.03 2k3k n LYS 99 CO 0.00 0.00 0.00 -0.85 -1.37 0.00 0.00 177.40 175.18 2k3k n GLU 100 N -0.38 0.05 -2.01 1.97 0.00 -1.26 -2.64 120.64 116.37 2k3k n GLU 100 Ca 0.04 0.30 -0.38 0.00 0.00 0.00 0.00 57.16 57.11 2k3k n GLU 100 Cb 0.35 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.30 2k3k n GLU 100 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2k3k s ARG 101 N -2.71 3.61 0.09 3.44 0.52 -1.26 -4.39 118.95 118.25 2k3k s ARG 101 Ca 0.04 2.08 0.21 0.00 -0.52 0.00 0.00 55.73 57.54 2k3k s ARG 101 Cb 0.03 -2.47 0.86 0.00 0.52 0.00 0.00 34.95 33.89 2k3k s ARG 101 CO 0.08 -0.76 1.66 -0.35 0.02 0.00 0.00 175.30 175.95 2k3k n PRO 102 N -0.47 0.08 -3.77 3.54 -0.04 -1.26 -2.77 135.00 130.31 2k3k n PRO 102 Ca 0.07 0.24 -0.13 0.00 -0.04 0.00 0.00 63.50 63.64 2k3k n PRO 102 Cb 0.45 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 32.16 2k3k n PRO 102 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2k3k s LYS 103 N -3.09 0.26 0.00 0.54 2.20 -1.26 -4.85 119.74 113.54 2k3k s LYS 103 Ca 0.08 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.08 2k3k s LYS 103 Cb 0.12 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.50 2k3k s LYS 103 CO 0.39 -0.07 0.31 1.63 -0.36 0.00 0.00 175.35 177.25