#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 1.22 0.66 0.03 -1.05 -1.26 -5.16 118.70 113.14 2k3k s GLU 2 Ca 0.00 -1.05 -0.17 0.00 -0.15 0.00 0.00 54.97 53.61 2k3k s GLU 2 Cb 0.00 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.12 2k3k s GLU 2 CO 0.00 -0.47 1.19 0.00 0.95 0.00 0.00 175.26 176.92 2k3k s MET 3 N -3.93 2.61 0.06 -4.83 0.23 -1.26 -5.07 119.30 107.11 2k3k s MET 3 Ca 0.14 1.71 0.08 0.00 -1.03 0.00 0.00 55.69 56.58 2k3k s MET 3 Cb 0.02 -1.90 -0.03 0.00 -1.53 0.00 0.00 34.83 31.39 2k3k s MET 3 CO -0.02 -1.46 -0.22 -0.51 -2.03 0.00 0.00 175.02 170.78 2k3k s LEU 4 N -4.66 2.19 0.18 0.18 1.43 -1.26 -5.11 118.68 111.64 2k3k s LEU 4 Ca 0.74 -0.57 -0.33 0.00 -1.03 0.00 0.00 54.13 52.94 2k3k s LEU 4 Cb -0.28 -1.01 -0.14 0.00 0.03 0.00 0.00 46.19 44.80 2k3k s LEU 4 CO 0.39 0.16 1.56 -2.65 0.23 0.00 0.00 176.35 176.04 2k3k n PRO 5 N 1.68 2.18 -3.58 1.29 -0.02 -1.26 -4.81 135.00 130.48 2k3k n PRO 5 Ca -0.18 0.78 -0.15 0.00 -2.02 0.00 0.00 63.50 61.94 2k3k n PRO 5 Cb 0.53 -2.54 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 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 0.82 -0.66 0.13 2.55 2.47 -1.26 -5.06 114.94 113.94 2k3k s ASN 6 Ca 0.77 1.01 0.18 0.00 0.42 0.00 0.00 52.86 55.24 2k3k s ASN 6 Cb -0.66 0.93 0.79 0.00 -1.45 0.00 0.00 41.25 40.86 2k3k s ASN 6 CO 0.40 -0.40 1.57 1.67 -3.72 0.00 0.00 177.10 176.61 2k3k n GLN 7 N 1.73 0.10 -4.71 0.43 7.27 -1.26 -4.61 117.38 116.33 2k3k n GLN 7 Ca -0.16 0.35 -0.26 0.00 0.07 0.00 0.00 57.00 57.01 2k3k n GLN 7 Cb 0.56 -1.69 -0.14 0.00 2.41 0.00 0.00 30.24 31.38 2k3k n GLN 7 CO 0.00 0.00 0.00 0.99 0.07 0.00 0.00 177.06 178.12 2k3k s THR 8 N -3.17 1.64 0.24 1.69 2.01 -1.26 -1.73 115.64 115.05 2k3k s THR 8 Ca 0.05 -1.12 0.05 0.00 0.31 0.00 0.00 61.69 60.98 2k3k s THR 8 Cb 0.09 -1.41 -0.05 0.00 0.01 0.00 0.00 72.50 71.14 2k3k s THR 8 CO 0.31 0.25 -0.04 0.27 -0.69 0.00 0.00 174.62 174.73 2k3k s ILE 9 N -0.73 1.29 -0.06 1.82 -4.36 -0.46 -1.82 121.20 116.89 2k3k s ILE 9 Ca 0.07 -2.08 0.03 0.00 -0.26 0.00 0.00 60.65 58.41 2k3k s ILE 9 Cb -0.09 -2.31 0.01 0.00 1.25 0.00 0.00 42.46 41.32 2k3k s ILE 9 CO 0.01 -0.37 -0.13 -0.47 0.24 0.00 0.00 174.94 174.22 2k3k s TYR 10 N -3.25 1.46 0.04 1.37 5.04 0.18 -2.20 117.35 120.00 2k3k s TYR 10 Ca 0.27 -0.50 0.09 0.00 -2.44 0.00 0.00 57.07 54.50 2k3k s TYR 10 Cb 0.04 -1.05 -0.03 0.00 0.35 0.00 0.00 41.96 41.28 2k3k s TYR 10 CO 0.09 -0.23 -0.26 0.42 -1.34 0.00 0.00 175.55 174.22 2k3k s ILE 11 N 0.48 2.10 0.25 3.14 1.01 0.18 -1.14 121.20 127.22 2k3k s ILE 11 Ca -0.11 -1.37 -0.08 0.00 0.00 0.00 0.00 60.65 59.09 2k3k s ILE 11 Cb -0.14 -1.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.52 2k3k s ILE 11 CO 0.03 0.37 0.38 0.20 0.00 0.00 0.00 174.94 175.92 2k3k s ASN 12 N -1.20 0.12 -1.21 3.58 0.01 0.52 -1.99 114.94 114.76 2k3k s ASN 12 Ca 0.11 -1.14 0.00 0.00 -0.71 0.00 0.00 52.86 51.13 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 -1.08 0.00 -3.20 -1.51 0.00 0.00 177.10 171.32 2k3k n ASN 13 N -0.51 -4.04 -4.77 -1.22 5.15 -1.18 -1.60 115.26 107.10 2k3k n ASN 13 Ca -0.00 0.20 -0.39 0.00 -0.60 0.00 0.00 54.58 53.79 2k3k n ASN 13 Cb 0.63 -3.48 -0.02 0.00 -0.53 0.00 0.00 39.78 36.37 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 -5.26 4.33 -0.24 1.20 0.20 -0.68 -4.57 118.68 113.65 2k3k s LEU 14 Ca 0.00 2.49 -0.29 0.00 0.69 0.00 0.00 54.13 57.02 2k3k s LEU 14 Cb 0.00 -3.83 -0.03 0.00 -0.43 0.00 0.00 46.19 41.90 2k3k s LEU 14 CO 0.00 -0.58 1.80 0.21 -0.29 0.00 0.00 176.35 177.50 2k3k s ASN 15 N -0.83 6.07 0.62 3.68 3.84 -1.26 -4.46 114.94 122.60 2k3k s ASN 15 Ca 0.52 1.64 0.33 0.00 0.21 0.00 0.00 52.86 55.56 2k3k s ASN 15 Cb -0.35 -2.53 1.86 0.00 -0.55 0.00 0.00 41.25 39.68 2k3k s ASN 15 CO 0.45 -1.51 2.15 1.05 -2.79 0.00 0.00 177.10 176.45 2k3k h GLU 16 N 12.12 0.00 -0.05 0.43 4.11 -1.90 -2.37 114.58 126.92 2k3k h GLU 16 Ca -0.36 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.04 2k3k h GLU 16 Cb 1.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2k3k h GLU 16 CO 1.00 0.00 -0.11 1.57 0.07 0.00 0.00 179.01 181.54 2k3k h LYS 17 N 0.00 0.08 -6.70 1.06 2.10 -1.89 -3.44 116.57 107.78 2k3k h LYS 17 Ca 0.04 -0.01 -0.52 0.00 -2.00 0.00 0.00 60.65 58.16 2k3k h LYS 17 Cb 0.37 -0.01 0.06 0.00 -0.90 0.00 0.00 32.23 31.74 2k3k h LYS 17 CO -0.00 0.20 0.91 0.42 -2.00 0.00 0.00 179.45 178.98 2k3k s ILE 18 N -4.79 2.26 0.75 0.07 -1.09 -0.89 -5.00 121.20 112.51 2k3k s ILE 18 Ca -0.05 0.20 -0.11 0.00 -2.23 0.00 0.00 60.65 58.46 2k3k s ILE 18 Cb 0.16 -3.13 0.04 0.00 -1.58 0.00 0.00 42.46 37.95 2k3k s ILE 18 CO 0.70 0.02 1.13 -0.54 -1.23 0.00 0.00 174.94 175.02 2k3k s LYS 19 N 0.48 2.47 0.17 2.79 1.02 -1.26 -4.86 119.74 120.55 2k3k s LYS 19 Ca 0.68 0.29 -0.14 0.00 0.02 0.00 0.00 55.97 56.82 2k3k s LYS 19 Cb -0.47 -2.00 0.10 0.00 -0.52 0.00 0.00 37.83 34.94 2k3k s LYS 19 CO 0.38 -1.27 1.79 -0.22 -0.92 0.00 0.00 175.35 175.11 2k3k h LYS 20 N -0.81 0.47 -0.59 1.68 3.64 -1.94 0.04 116.57 119.06 2k3k h LYS 20 Ca -0.45 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 58.87 2k3k h LYS 20 Cb 1.29 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2k3k h LYS 20 CO 0.65 0.31 0.26 1.49 -2.27 0.00 0.00 179.45 179.88 2k3k h GLU 21 N 0.49 0.86 -0.47 1.90 4.81 -1.98 0.38 114.58 120.58 2k3k h GLU 21 Ca 0.20 -0.14 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2k3k h GLU 21 Cb 0.08 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.30 2k3k h GLU 21 CO -0.13 0.72 -0.01 0.93 -0.73 0.00 0.00 179.01 179.79 2k3k h GLU 22 N 0.81 0.83 -0.08 1.92 5.08 -1.83 -0.23 114.58 121.09 2k3k h GLU 22 Ca 0.20 -0.27 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2k3k h GLU 22 Cb 0.16 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2k3k h GLU 22 CO -0.02 0.89 -0.07 1.25 -1.00 0.00 0.00 179.01 180.06 2k3k h LEU 23 N 0.68 -0.22 -0.05 1.33 7.12 -0.80 -0.29 115.31 123.09 2k3k h LEU 23 Ca 0.13 0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.19 2k3k h LEU 23 Cb 0.52 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.76 2k3k h LEU 23 CO 0.03 -0.10 0.03 0.50 -0.13 0.00 0.00 178.44 178.77 2k3k h LYS 24 N -0.09 0.06 -0.66 1.25 3.64 -0.52 -0.30 116.57 119.96 2k3k h LYS 24 Ca 0.05 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.42 2k3k h LYS 24 Cb 0.17 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 2k3k h LYS 24 CO -0.13 0.07 0.39 0.87 -2.27 0.00 0.00 179.45 178.38 2k3k h LYS 25 N 0.04 0.91 -0.40 1.90 1.79 -0.99 -1.49 116.57 118.32 2k3k h LYS 25 Ca 0.02 -0.09 -0.04 0.00 -2.18 0.00 0.00 60.65 58.36 2k3k h LYS 25 Cb 0.02 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.47 2k3k h LYS 25 CO -0.00 0.66 0.11 0.77 -1.08 0.00 0.00 179.45 179.91 2k3k h SER 26 N 0.90 0.60 -0.12 0.86 0.02 -0.55 0.60 113.55 115.85 2k3k h SER 26 Ca 0.24 -0.22 0.02 0.00 -0.84 0.00 0.00 61.79 60.99 2k3k h SER 26 Cb -0.01 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2k3k h SER 26 CO -0.04 0.66 0.01 -0.07 -1.14 0.00 0.00 176.83 176.24 2k3k h LEU 27 N 0.51 -0.02 -1.79 5.07 3.38 -0.92 -1.33 115.31 120.21 2k3k h LEU 27 Ca 0.13 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2k3k h LEU 27 Cb 0.28 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k3k h LEU 27 CO -0.00 0.01 -0.15 0.22 0.09 0.00 0.00 178.44 178.61 2k3k h TYR 28 N 0.06 0.00 0.16 1.13 3.20 -0.94 -0.75 116.97 119.83 2k3k h TYR 28 Ca 0.06 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.64 2k3k h TYR 28 Cb 0.06 0.00 0.03 0.00 1.54 0.00 0.00 36.73 38.36 2k3k h TYR 28 CO -0.13 0.15 -1.22 0.00 -1.64 0.00 0.00 178.16 175.32 2k3k h ALA 29 N 1.85 -0.06 0.00 1.82 0.00 -0.21 -3.38 119.26 119.27 2k3k h ALA 29 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 54.91 54.13 2k3k h ALA 29 Cb 0.37 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k3k h ALA 29 CO 0.02 0.63 -0.77 0.44 0.00 0.00 0.00 179.25 179.57 2k3k n ILE 30 N -3.84 0.00 -0.14 0.00 -5.35 -0.56 -4.61 119.36 104.86 2k3k n ILE 30 Ca -0.15 0.00 0.01 0.00 -0.27 0.00 0.00 62.75 62.34 2k3k n ILE 30 Cb 0.98 -0.41 0.29 0.00 -1.74 0.00 0.00 39.64 38.76 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 0.80 -0.94 4.28 -1.00 -1.29 -1.84 116.94 116.95 2k3k h PHE 31 Ca 0.00 0.00 0.25 0.00 2.81 0.00 0.00 57.97 61.04 2k3k h PHE 31 Cb 0.77 -0.26 -0.05 0.00 3.61 0.00 0.00 35.95 40.01 2k3k h PHE 31 CO 0.00 0.54 0.65 0.77 -1.61 0.00 0.00 178.31 178.66 2k3k h SER 32 N 0.84 0.17 0.59 2.17 0.02 -1.48 0.44 113.55 116.30 2k3k h SER 32 Ca 0.22 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.19 2k3k h SER 32 Cb -0.02 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.51 2k3k h SER 32 CO -0.04 0.05 0.00 0.00 -1.14 0.00 0.00 176.83 175.70 2k3k n GLN 33 N -4.37 0.04 0.00 3.45 6.02 -0.69 -3.12 117.38 118.70 2k3k n GLN 33 Ca 0.20 0.26 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 2k3k n GLN 33 Cb 0.91 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.60 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 -1.64 0.00 -3.20 1.08 3.72 -0.34 -4.98 117.46 112.10 2k3k n PHE 34 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 2k3k n PHE 34 Cb 0.20 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.71 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 -1.39 -0.88 0.28 1.37 0.00 -0.00 -3.56 107.32 103.14 2k3k s GLY 35 Ca 0.00 1.40 -0.30 0.00 0.00 0.00 0.00 44.72 45.82 2k3k s GLY 35 CO 0.00 3.25 1.63 -0.18 0.00 0.00 0.00 173.10 177.80 2k3k n GLN 36 N 5.41 2.75 -2.18 2.90 0.00 -1.18 -3.48 117.38 121.60 2k3k n GLN 36 Ca -0.00 0.98 -0.35 0.00 -0.00 0.00 0.00 57.00 57.63 2k3k n GLN 36 Cb 0.51 -2.78 0.01 0.00 0.00 0.00 0.00 30.24 27.98 2k3k n GLN 36 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 2k3k s ILE 37 N 0.18 3.06 0.00 1.69 -1.09 -1.26 -2.43 121.20 121.34 2k3k s ILE 37 Ca 0.65 0.65 0.00 0.00 -2.23 0.00 0.00 60.65 59.72 2k3k s ILE 37 Cb -0.49 -3.25 0.00 0.00 -1.58 0.00 0.00 42.46 37.14 2k3k s ILE 37 CO 0.46 -0.15 0.00 -0.11 -1.23 0.00 0.00 174.94 173.91 2k3k n LEU 38 N -1.43 1.97 -3.67 2.97 7.94 0.61 -4.58 117.00 120.80 2k3k n LEU 38 Ca 0.12 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 54.92 2k3k n LEU 38 Cb 0.51 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.43 2k3k n LEU 38 CO 0.43 0.33 0.39 -0.62 -1.11 0.00 0.00 177.39 176.80 2k3k s ASP 39 N -3.59 -0.37 0.01 1.96 2.15 -0.61 -4.96 116.67 111.26 2k3k s ASP 39 Ca 0.00 -0.35 0.00 0.00 0.43 0.00 0.00 52.55 52.63 2k3k s ASP 39 Cb 0.00 0.64 -0.01 0.00 -0.30 0.00 0.00 42.92 43.25 2k3k s ASP 39 CO 0.00 -1.13 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.22 2k3k s ILE 40 N -3.85 0.11 -0.23 4.11 1.01 -1.26 -0.48 121.20 120.62 2k3k s ILE 40 Ca 0.07 -0.51 -0.03 0.00 0.00 0.00 0.00 60.65 60.17 2k3k s ILE 40 Cb -0.03 -0.18 0.08 0.00 0.01 0.00 0.00 42.46 42.33 2k3k s ILE 40 CO -0.03 -0.25 0.08 -0.69 0.00 0.00 0.00 174.94 174.05 2k3k s VAL 41 N -0.79 0.25 0.22 2.92 1.01 -0.00 -4.97 120.40 119.03 2k3k s VAL 41 Ca -0.08 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 2k3k s VAL 41 Cb -0.05 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.32 2k3k s VAL 41 CO -0.00 -0.43 0.26 0.00 0.00 0.00 0.00 175.10 174.93 2k3k s ALA 42 N 1.97 0.67 0.11 5.51 0.00 -1.26 -0.97 121.76 127.78 2k3k s ALA 42 Ca 0.04 -1.41 -0.12 0.00 0.00 0.00 0.00 51.96 50.47 2k3k s ALA 42 Cb -0.17 1.27 0.02 0.00 0.00 0.00 0.00 23.12 24.24 2k3k s ALA 42 CO -0.18 -0.69 0.29 -1.17 0.00 0.00 0.00 175.76 174.01 2k3k s LEU 43 N -3.11 0.93 0.50 0.00 2.96 -0.06 -4.99 118.68 114.91 2k3k s LEU 43 Ca 0.33 -0.50 0.29 0.00 -0.22 0.00 0.00 54.13 54.03 2k3k s LEU 43 Cb 0.04 1.42 1.19 0.00 0.50 0.00 0.00 46.19 49.34 2k3k s LEU 43 CO 0.11 -0.79 1.93 0.50 -1.32 0.00 0.00 176.35 176.78 2k3k h LYS 44 N 2.56 0.00 -6.98 1.98 1.63 -1.97 -3.30 116.57 110.48 2k3k h LYS 44 Ca -0.34 0.00 -0.53 0.00 -0.85 0.00 0.00 60.65 58.93 2k3k h LYS 44 Cb 1.23 0.00 0.09 0.00 -0.60 0.00 0.00 32.23 32.95 2k3k h LYS 44 CO 0.52 0.12 0.60 0.95 -3.45 0.00 0.00 179.45 178.18 2k3k s THR 45 N -3.72 2.56 0.26 1.00 -4.23 -1.26 -4.91 115.64 105.33 2k3k s THR 45 Ca 0.00 0.47 -0.03 0.00 -1.18 0.00 0.00 61.69 60.95 2k3k s THR 45 Cb 0.10 -3.26 0.28 0.00 1.34 0.00 0.00 72.50 70.96 2k3k s THR 45 CO 0.59 0.04 1.66 0.25 -0.54 0.00 0.00 174.62 176.62 2k3k h LEU 46 N 2.30 -0.08 -2.17 4.79 5.85 -1.94 -1.60 115.31 122.47 2k3k h LEU 46 Ca -0.50 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.43 2k3k h LEU 46 Cb 1.26 0.26 -0.00 0.00 0.37 0.00 0.00 40.66 42.54 2k3k h LEU 46 CO 0.61 -0.12 0.29 0.50 -0.34 0.00 0.00 178.44 179.38 2k3k h LYS 47 N 0.21 0.00 0.00 1.25 3.64 -1.91 -2.10 116.57 117.66 2k3k h LYS 47 Ca 0.47 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.75 2k3k h LYS 47 Cb 0.87 0.00 -0.22 0.00 -0.41 0.00 0.00 32.23 32.47 2k3k h LYS 47 CO -0.61 0.00 -0.79 -1.33 -2.27 0.00 0.00 179.45 174.45 2k3k n MET 48 N -3.21 0.59 0.00 1.90 2.81 -0.62 -4.56 117.12 114.03 2k3k n MET 48 Ca 0.00 -2.42 0.00 0.00 -1.81 0.00 0.00 57.70 53.47 2k3k n MET 48 Cb 0.37 -0.63 0.00 0.00 -0.71 0.00 0.00 33.22 32.25 2k3k n MET 48 CO 0.00 0.00 0.00 2.89 1.51 0.00 0.00 175.97 180.37 2k3k n ARG 49 N -0.15 2.98 0.00 0.03 1.85 -0.85 -0.88 116.66 119.65 2k3k n ARG 49 Ca 0.10 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 57.10 2k3k n ARG 49 Cb 0.95 -0.67 0.64 0.00 -1.05 0.00 0.00 32.46 32.34 2k3k n ARG 49 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2k3k n GLY 50 N 1.18 -1.31 3.40 2.89 0.00 -0.86 -4.19 105.19 106.29 2k3k n GLY 50 Ca 0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.75 1.20 0.30 1.61 -2.07 -1.26 -1.69 119.66 114.99 2k3k s GLN 51 Ca 0.22 -0.83 -0.20 0.00 -1.82 0.00 0.00 55.36 52.73 2k3k s GLN 51 Cb 0.20 0.48 0.04 0.00 -1.09 0.00 0.00 33.01 32.64 2k3k s GLN 51 CO 0.51 -0.48 0.80 0.00 -1.32 0.00 0.00 175.29 174.79 2k3k s ALA 52 N -3.85 -1.13 0.07 2.60 0.00 -0.84 -4.47 121.76 114.13 2k3k s ALA 52 Ca 0.07 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2k3k s ALA 52 Cb 0.01 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.85 2k3k s ALA 52 CO -0.07 -1.02 -0.05 -0.06 0.00 0.00 0.00 175.76 174.56 2k3k s PHE 53 N -3.15 0.66 -0.06 0.00 0.40 -0.14 -0.65 117.98 115.05 2k3k s PHE 53 Ca 0.13 -0.93 -0.21 0.00 -0.60 0.00 0.00 56.93 55.32 2k3k s PHE 53 Cb -0.05 -0.43 0.05 0.00 0.51 0.00 0.00 43.02 43.10 2k3k s PHE 53 CO 0.08 -0.25 0.48 0.54 0.70 0.00 0.00 175.22 176.77 2k3k s VAL 54 N -3.45 0.03 -0.00 -0.44 0.11 -0.93 -0.82 120.40 114.89 2k3k s VAL 54 Ca 0.06 -0.22 0.07 0.00 -2.93 0.00 0.00 61.98 58.97 2k3k s VAL 54 Cb 0.04 -0.77 -0.02 0.00 -1.53 0.00 0.00 36.38 34.10 2k3k s VAL 54 CO -0.07 -0.12 -0.22 -0.63 -3.33 0.00 0.00 175.10 170.74 2k3k s ILE 55 N -0.99 1.73 0.39 7.04 1.09 0.37 -1.35 121.20 129.47 2k3k s ILE 55 Ca -0.10 -1.00 0.04 0.00 -1.10 0.00 0.00 60.65 58.49 2k3k s ILE 55 Cb -0.03 -1.45 -0.05 0.00 -1.06 0.00 0.00 42.46 39.87 2k3k s ILE 55 CO 0.06 0.43 0.05 -0.36 -0.10 0.00 0.00 174.94 175.01 2k3k s PHE 56 N -0.58 2.07 0.31 3.97 0.40 -0.71 -0.29 117.98 123.15 2k3k s PHE 56 Ca 0.08 -0.93 0.01 0.00 -0.60 0.00 0.00 56.93 55.48 2k3k s PHE 56 Cb -0.08 -1.44 0.53 0.00 0.51 0.00 0.00 43.02 42.54 2k3k s PHE 56 CO -0.00 0.10 1.93 0.87 0.70 0.00 0.00 175.22 178.82 2k3k h LYS 57 N 1.87 0.99 -3.38 0.44 1.79 -1.73 -3.42 116.57 113.14 2k3k h LYS 57 Ca -0.41 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 57.95 2k3k h LYS 57 Cb 1.26 -0.22 -0.12 0.00 -1.58 0.00 0.00 32.23 31.56 2k3k h LYS 57 CO 0.71 0.66 -0.04 -1.21 -1.08 0.00 0.00 179.45 178.48 2k3k s GLU 58 N -5.89 1.17 0.42 3.15 0.41 -1.26 -5.04 118.70 111.65 2k3k s GLU 58 Ca -0.11 -0.76 0.11 0.00 -0.41 0.00 0.00 54.97 53.79 2k3k s GLU 58 Cb 0.19 0.48 0.89 0.00 -1.78 0.00 0.00 34.13 33.92 2k3k s GLU 58 CO 0.80 -0.47 1.98 -0.84 -0.49 0.00 0.00 175.26 176.23 2k3k h ILE 59 N 2.31 1.14 -0.32 -1.63 3.07 -1.88 -0.98 117.51 119.21 2k3k h ILE 59 Ca -0.32 -0.58 -0.18 0.00 1.55 0.00 0.00 64.86 65.32 2k3k h ILE 59 Cb 1.26 1.12 -0.00 0.00 -0.27 0.00 0.00 36.82 38.93 2k3k h ILE 59 CO 0.44 0.18 -0.50 1.23 -1.05 0.00 0.00 178.15 178.45 2k3k h GLY 60 N 0.59 0.98 0.96 0.16 0.00 -1.97 -1.09 103.07 102.71 2k3k h GLY 60 Ca 0.04 -1.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.24 2k3k h GLY 60 CO 0.01 1.00 0.18 1.76 0.00 0.00 0.00 176.54 179.49 2k3k h SER 61 N 0.70 0.64 -0.40 0.19 0.02 -1.74 -0.37 113.55 112.58 2k3k h SER 61 Ca 0.03 -0.17 0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2k3k h SER 61 Cb 1.11 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.46 2k3k h SER 61 CO 0.11 0.64 0.24 0.00 -1.14 0.00 0.00 176.83 176.68 2k3k h ALA 62 N 1.03 0.51 -0.40 3.77 0.00 -1.15 -0.53 119.26 122.50 2k3k h ALA 62 Ca 0.15 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2k3k h ALA 62 Cb 0.20 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2k3k h ALA 62 CO -0.01 -0.08 0.25 0.77 0.00 0.00 0.00 179.25 180.18 2k3k h SER 63 N 0.49 0.43 -0.43 0.00 0.02 -0.84 -0.55 113.55 112.68 2k3k h SER 63 Ca 0.16 -0.01 -0.12 0.00 -0.84 0.00 0.00 61.79 60.98 2k3k h SER 63 Cb -0.01 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2k3k h SER 63 CO -0.06 0.31 -0.22 -1.13 -1.14 0.00 0.00 176.83 174.59 2k3k h ASN 64 N 0.52 0.93 0.35 3.07 -1.24 -0.80 -0.23 115.58 118.18 2k3k h ASN 64 Ca 0.15 -0.41 -0.01 0.00 0.71 0.00 0.00 56.30 56.75 2k3k h ASN 64 Cb -0.04 -0.26 -0.02 0.00 0.73 0.00 0.00 38.32 38.73 2k3k h ASN 64 CO -0.04 1.14 -0.30 0.00 -1.29 0.00 0.00 177.43 176.94 2k3k h ALA 65 N 0.83 -0.66 0.23 1.57 0.00 -0.97 -1.36 119.26 118.89 2k3k h ALA 65 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k3k h ALA 65 Cb 0.79 0.40 -0.04 0.00 0.00 0.00 0.00 17.79 18.95 2k3k h ALA 65 CO 0.06 -0.90 -0.40 1.25 0.00 0.00 0.00 179.25 179.26 2k3k h LEU 66 N -0.66 -1.15 -0.72 0.00 6.46 -0.91 -0.48 115.31 117.85 2k3k h LEU 66 Ca -0.03 0.12 -0.07 0.00 -0.12 0.00 0.00 57.88 57.78 2k3k h LEU 66 Cb 0.58 0.41 -0.03 0.00 -0.73 0.00 0.00 40.66 40.89 2k3k h LEU 66 CO -0.02 -0.51 0.19 -0.09 -0.62 0.00 0.00 178.44 177.39 2k3k h ARG 67 N -0.71 1.14 -0.34 1.25 1.12 -1.04 -0.33 114.38 115.47 2k3k h ARG 67 Ca 0.00 -0.27 -0.11 0.00 -1.11 0.00 0.00 59.98 58.50 2k3k h ARG 67 Cb 0.69 -0.15 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 2k3k h ARG 67 CO -0.17 1.00 -0.20 1.15 -3.11 0.00 0.00 179.97 178.64 2k3k h THR 68 N 1.08 1.29 -0.00 0.20 2.02 -1.04 -3.22 112.91 113.24 2k3k h THR 68 Ca 0.23 -1.33 0.00 0.00 0.77 0.00 0.00 66.41 66.07 2k3k h THR 68 Cb 0.36 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2k3k h THR 68 CO -0.00 0.44 -0.22 0.23 0.37 0.00 0.00 175.52 176.34 2k3k n MET 69 N -4.29 0.20 -1.68 6.66 2.81 -0.21 -4.69 117.12 115.93 2k3k n MET 69 Ca -0.03 -0.07 -0.48 0.00 -1.81 0.00 0.00 57.70 55.31 2k3k n MET 69 Cb 0.42 -1.50 -0.05 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.34 2.13 -0.83 0.03 -0.06 -0.16 -1.16 117.38 116.00 2k3k n GLN 70 Ca 0.08 0.78 0.00 0.00 -2.00 0.00 0.00 57.00 55.86 2k3k n GLN 70 Cb 0.32 -2.60 0.00 0.00 -4.06 0.00 0.00 30.24 23.90 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 4.20 0.60 3.75 1.69 0.00 -0.42 -4.97 105.19 110.05 2k3k n GLY 71 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.76 3.47 -1.21 1.61 5.36 -0.31 -4.34 117.98 119.80 2k3k s PHE 72 Ca 0.00 1.60 -0.20 0.00 -0.96 0.00 0.00 56.93 57.37 2k3k s PHE 72 Cb 0.00 -3.37 -0.02 0.00 -0.34 0.00 0.00 43.02 39.29 2k3k s PHE 72 CO 0.00 -0.87 1.88 -0.35 -1.46 0.00 0.00 175.22 174.42 2k3k n PRO 73 N 1.48 2.35 -0.11 10.12 -0.04 -1.26 -0.92 135.00 146.62 2k3k n PRO 73 Ca 0.00 -2.74 0.05 0.00 -0.04 0.00 0.00 63.50 60.78 2k3k n PRO 73 Cb 0.44 -3.51 0.38 0.00 -0.04 0.00 0.00 33.50 30.77 2k3k n PRO 73 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2k3k h PHE 74 N 8.29 0.67 -0.96 0.54 3.57 -1.92 -3.45 116.94 123.67 2k3k h PHE 74 Ca 0.37 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.88 2k3k h PHE 74 Cb 0.85 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.37 2k3k h PHE 74 CO 1.32 0.39 0.00 0.66 -2.23 0.00 0.00 178.31 178.45 2k3k n TYR 75 N -4.47 0.00 0.32 0.41 4.01 -1.26 -5.02 117.16 111.16 2k3k n TYR 75 Ca 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.81 2k3k n TYR 75 Cb 0.15 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 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 0.35 -3.91 7.72 2.03 -1.26 -4.52 116.55 116.96 2k3k n ASP 76 Ca 0.00 -0.65 -0.14 0.00 0.52 0.00 0.00 54.79 54.53 2k3k n ASP 76 Cb 0.00 -0.16 -0.14 0.00 -0.72 0.00 0.00 41.12 40.10 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 -0.92 0.17 0.13 -0.67 1.02 -1.26 -5.04 119.74 113.17 2k3k s LYS 77 Ca 0.00 -0.07 -0.31 0.00 0.02 0.00 0.00 55.97 55.61 2k3k s LYS 77 Cb 0.00 -0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 2k3k s LYS 77 CO 0.00 0.04 1.35 -1.25 -0.92 0.00 0.00 175.35 174.57 2k3k s PRO 78 N -0.04 4.35 0.65 -1.68 0.04 -1.26 -3.72 135.00 133.34 2k3k s PRO 78 Ca 0.01 2.03 -0.17 0.00 0.04 0.00 0.00 61.00 62.90 2k3k s PRO 78 Cb -0.01 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2k3k s PRO 78 CO -0.00 -0.37 1.23 -1.64 0.04 0.00 0.00 177.00 176.26 2k3k s MET 79 N 0.81 2.62 -0.07 4.56 -1.94 -0.09 -4.78 119.30 120.40 2k3k s MET 79 Ca 0.62 1.87 0.02 0.00 -1.71 0.00 0.00 55.69 56.49 2k3k s MET 79 Cb -0.36 -1.88 0.01 0.00 2.01 0.00 0.00 34.83 34.62 2k3k s MET 79 CO 0.32 -1.49 -0.13 -0.65 -0.01 0.00 0.00 175.02 173.06 2k3k s GLN 80 N -3.52 1.77 0.04 2.03 -1.52 -0.63 -1.30 119.66 116.54 2k3k s GLN 80 Ca 0.78 -0.43 0.02 0.00 -1.95 0.00 0.00 55.36 53.78 2k3k s GLN 80 Cb -0.32 -1.48 -0.02 0.00 -0.22 0.00 0.00 33.01 30.97 2k3k s GLN 80 CO 0.38 0.01 -0.07 0.42 -0.25 0.00 0.00 175.29 175.78 2k3k s ILE 81 N 0.74 0.52 0.10 1.08 1.01 -1.26 -0.36 121.20 123.03 2k3k s ILE 81 Ca -0.13 -1.12 -0.05 0.00 0.00 0.00 0.00 60.65 59.35 2k3k s ILE 81 Cb -0.16 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 2k3k s ILE 81 CO 0.03 -0.42 0.10 0.00 0.00 0.00 0.00 174.94 174.65 2k3k s ALA 82 N -1.53 0.29 0.13 9.38 0.00 -0.29 -5.01 121.76 124.73 2k3k s ALA 82 Ca -0.09 -1.04 -0.25 0.00 0.00 0.00 0.00 51.96 50.58 2k3k s ALA 82 Cb -0.09 0.56 -0.07 0.00 0.00 0.00 0.00 23.12 23.51 2k3k s ALA 82 CO -0.00 -0.48 0.77 1.52 0.00 0.00 0.00 175.76 177.57 2k3k s TYR 83 N -3.94 3.87 0.72 0.00 1.13 -1.26 -0.64 117.35 117.22 2k3k s TYR 83 Ca 0.12 1.59 -0.12 0.00 -1.41 0.00 0.00 57.07 57.25 2k3k s TYR 83 Cb 0.06 -2.78 0.03 0.00 -1.10 0.00 0.00 41.96 38.17 2k3k s TYR 83 CO -0.06 0.46 1.09 -1.12 -2.51 0.00 0.00 175.55 173.41 2k3k s SER 84 N -0.87 4.85 0.00 -0.18 0.01 -0.75 -4.80 113.70 111.96 2k3k s SER 84 Ca 0.36 1.86 0.00 0.00 1.31 0.00 0.00 55.95 59.48 2k3k s SER 84 Cb -0.22 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2k3k s SER 84 CO 0.25 -1.80 0.00 2.29 0.41 0.00 0.00 173.24 174.39 2k3k n LYS 85 N -3.05 0.00 -1.74 12.44 0.00 -1.26 -4.80 118.16 119.75 2k3k n LYS 85 Ca 0.09 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.98 2k3k n LYS 85 Cb 0.53 -0.17 -0.03 0.00 -0.00 0.00 0.00 35.03 35.36 2k3k n LYS 85 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 2k3k s SER 86 N -1.19 6.47 0.15 -5.58 0.01 -1.26 -4.86 113.70 107.44 2k3k s SER 86 Ca 0.00 2.67 -0.18 0.00 1.31 0.00 0.00 55.95 59.75 2k3k s SER 86 Cb 0.00 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.73 2k3k s SER 86 CO 0.00 -1.01 1.70 -0.78 0.41 0.00 0.00 173.24 173.56 2k3k h ASP 87 N 9.33 -0.19 -0.60 2.44 3.58 -1.99 -0.35 116.42 128.63 2k3k h ASP 87 Ca -0.46 0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.04 2k3k h ASP 87 Cb 1.22 0.15 -0.03 0.00 1.72 0.00 0.00 39.33 42.39 2k3k h ASP 87 CO 0.94 -0.06 0.28 0.28 -2.88 0.00 0.00 179.24 177.80 2k3k h SER 88 N 0.05 0.82 -0.02 2.28 0.02 -1.99 -1.76 113.55 112.95 2k3k h SER 88 Ca 0.15 -0.10 -0.22 0.00 -0.84 0.00 0.00 61.79 60.78 2k3k h SER 88 Cb 0.22 -0.21 0.02 0.00 0.14 0.00 0.00 62.40 62.56 2k3k h SER 88 CO -0.28 0.72 -0.86 -0.78 -1.14 0.00 0.00 176.83 174.49 2k3k h ASP 89 N 0.90 0.79 -0.49 3.07 3.58 -1.64 -1.02 116.42 121.60 2k3k h ASP 89 Ca 0.22 -0.73 -0.09 0.00 0.42 0.00 0.00 57.03 56.84 2k3k h ASP 89 Cb 0.14 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2k3k h ASP 89 CO -0.02 1.41 -0.04 0.16 -2.88 0.00 0.00 179.24 177.87 2k3k h ILE 90 N 0.24 1.26 -0.49 2.25 3.07 -1.00 0.98 117.51 123.82 2k3k h ILE 90 Ca -0.10 -1.15 -0.03 0.00 1.55 0.00 0.00 64.86 65.13 2k3k h ILE 90 Cb 1.53 0.90 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 2k3k h ILE 90 CO 0.17 0.41 0.20 0.58 -1.05 0.00 0.00 178.15 178.46 2k3k h VAL 91 N 0.86 1.21 -0.74 0.16 2.07 -1.31 -0.64 116.25 117.85 2k3k h VAL 91 Ca 0.15 -0.64 0.04 0.00 0.82 0.00 0.00 66.70 67.07 2k3k h VAL 91 Cb 0.56 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2k3k h VAL 91 CO 0.03 0.24 0.46 0.00 0.02 0.00 0.00 177.57 178.32 2k3k h ALA 92 N 1.04 0.99 -0.34 1.67 0.00 -0.73 -1.24 119.26 120.65 2k3k h ALA 92 Ca 0.16 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2k3k h ALA 92 Cb 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k3k h ALA 92 CO -0.01 0.22 -0.08 0.87 0.00 0.00 0.00 179.25 180.24 2k3k h LYS 93 N 0.87 0.66 0.00 0.00 6.56 -0.33 0.17 116.57 124.50 2k3k h LYS 93 Ca 0.31 -0.25 -0.04 0.00 -1.06 0.00 0.00 60.65 59.61 2k3k h LYS 93 Cb 0.08 -0.04 -0.01 0.00 -0.57 0.00 0.00 32.23 31.70 2k3k h LYS 93 CO -0.14 0.83 -0.17 -0.84 -2.06 0.00 0.00 179.45 177.07 2k3k h ILE 94 N 0.45 0.36 -0.07 1.86 3.07 -0.90 -3.28 117.51 119.01 2k3k h ILE 94 Ca 0.09 -1.12 0.00 0.00 1.55 0.00 0.00 64.86 65.38 2k3k h ILE 94 Cb 0.58 1.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.98 2k3k h ILE 94 CO 0.03 0.17 0.00 0.29 -1.05 0.00 0.00 178.15 177.59 2k3k n LYS 95 N -3.24 0.77 0.00 0.16 5.02 -0.49 -5.07 118.16 115.30 2k3k n LYS 95 Ca 0.01 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.10 2k3k n LYS 95 Cb 0.47 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.31 2k3k n LYS 95 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k3k n GLY 96 N 0.42 -0.64 1.77 0.72 0.00 0.55 -2.53 105.19 105.48 2k3k n GLY 96 Ca 0.06 0.27 0.00 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 0.30 -2.02 2.61 -2.24 -0.98 -4.48 114.28 107.46 2k3k n THR 97 Ca 0.00 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2k3k n THR 97 Cb 0.00 -0.77 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 2k3k n THR 97 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2k3k n PHE 98 N -3.48 0.00 -3.71 4.78 3.01 -1.26 -4.33 117.46 112.47 2k3k n PHE 98 Ca 0.00 -0.03 -0.14 0.00 1.01 0.00 0.00 57.45 58.29 2k3k n PHE 98 Cb 0.00 -0.06 -0.09 0.00 -0.01 0.00 0.00 39.48 39.33 2k3k n PHE 98 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2k3k s LYS 99 N -0.02 0.68 -0.00 -1.08 2.47 -1.26 -5.03 119.74 115.50 2k3k s LYS 99 Ca 0.02 0.10 0.00 0.00 -1.56 0.00 0.00 55.97 54.53 2k3k s LYS 99 Cb 0.02 0.31 0.00 0.00 -1.46 0.00 0.00 37.83 36.71 2k3k s LYS 99 CO -0.01 -0.17 1.32 -0.85 0.16 0.00 0.00 175.35 175.80 2k3k n GLU 100 N 1.66 1.00 -3.94 4.03 0.00 -1.26 -3.83 120.64 118.30 2k3k n GLU 100 Ca -0.19 -0.01 -0.10 0.00 0.00 0.00 0.00 57.16 56.87 2k3k n GLU 100 Cb 0.56 -1.00 -0.10 0.00 0.00 0.00 0.00 31.44 30.90 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 -0.01 0.44 0.40 3.44 0.52 -1.13 -4.71 118.95 117.89 2k3k s ARG 101 Ca 0.00 -0.60 0.15 0.00 -0.52 0.00 0.00 55.73 54.76 2k3k s ARG 101 Cb 0.00 0.17 1.00 0.00 0.52 0.00 0.00 34.95 36.64 2k3k s ARG 101 CO 0.00 -0.09 1.85 -1.35 0.02 0.00 0.00 175.30 175.73 2k3k h PRO 102 N 4.25 0.48 -3.10 3.54 0.11 -1.78 -3.37 132.00 132.12 2k3k h PRO 102 Ca -0.32 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.63 2k3k h PRO 102 Cb 1.20 -0.11 -0.21 0.00 0.11 0.00 0.00 31.00 31.98 2k3k h PRO 102 CO 0.44 0.32 -0.33 0.21 -0.21 0.00 0.00 178.00 178.42 2k3k s LYS 103 N -5.52 0.56 0.00 1.05 2.20 -1.26 -4.78 119.74 111.99 2k3k s LYS 103 Ca -0.09 -0.06 0.00 0.00 -0.36 0.00 0.00 55.97 55.46 2k3k s LYS 103 Cb 0.23 0.25 0.00 0.00 -1.51 0.00 0.00 37.83 36.80 2k3k s LYS 103 CO 0.79 -0.14 0.34 0.36 -0.36 0.00 0.00 175.35 176.34