#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 0.05 0.80 2.12 0.41 -1.26 -5.17 118.70 115.66 2k3k s GLU 2 Ca 0.00 0.08 -0.11 0.00 -0.41 0.00 0.00 54.97 54.52 2k3k s GLU 2 Cb 0.00 0.01 0.07 0.00 -1.78 0.00 0.00 34.13 32.43 2k3k s GLU 2 CO 0.00 -0.02 1.09 -1.64 -0.49 0.00 0.00 175.26 174.20 2k3k s MET 3 N 0.09 2.04 0.02 1.61 -1.94 -1.26 -5.09 119.30 114.78 2k3k s MET 3 Ca -0.01 0.86 0.06 0.00 -1.71 0.00 0.00 55.69 54.90 2k3k s MET 3 Cb -0.01 -1.90 -0.03 0.00 2.01 0.00 0.00 34.83 34.90 2k3k s MET 3 CO -0.00 -1.71 -0.16 -0.51 -0.01 0.00 0.00 175.02 172.63 2k3k s LEU 4 N -5.89 2.69 0.29 -0.03 1.02 -1.26 -5.10 118.68 110.39 2k3k s LEU 4 Ca 0.61 -0.36 -0.30 0.00 0.02 0.00 0.00 54.13 54.11 2k3k s LEU 4 Cb -0.16 -1.56 -0.13 0.00 0.02 0.00 0.00 46.19 44.36 2k3k s LEU 4 CO 0.56 0.27 1.41 -2.65 0.02 0.00 0.00 176.35 175.96 2k3k n PRO 5 N 1.67 2.23 -3.60 1.29 -0.02 -1.26 -4.82 135.00 130.48 2k3k n PRO 5 Ca -0.16 0.79 -0.16 0.00 -2.02 0.00 0.00 63.50 61.95 2k3k n PRO 5 Cb 0.52 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.11 -0.56 0.27 2.55 3.84 -1.26 -5.06 114.94 114.83 2k3k s ASN 6 Ca 0.62 0.70 0.24 0.00 0.21 0.00 0.00 52.86 54.63 2k3k s ASN 6 Cb -0.58 0.65 1.01 0.00 -0.55 0.00 0.00 41.25 41.77 2k3k s ASN 6 CO 0.54 -0.49 1.72 1.67 -2.79 0.00 0.00 177.10 177.76 2k3k n GLN 7 N 1.38 0.20 -4.56 0.43 7.27 -1.26 -4.62 117.38 116.23 2k3k n GLN 7 Ca -0.18 0.44 -0.29 0.00 0.07 0.00 0.00 57.00 57.04 2k3k n GLN 7 Cb 0.57 -1.90 -0.14 0.00 2.41 0.00 0.00 30.24 31.18 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 -3.34 2.15 0.16 1.69 2.01 -1.26 -1.05 115.64 116.00 2k3k s THR 8 Ca 0.04 -1.60 0.07 0.00 0.31 0.00 0.00 61.69 60.51 2k3k s THR 8 Cb 0.09 -1.88 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 2k3k s THR 8 CO 0.39 0.17 -0.15 0.27 -0.69 0.00 0.00 174.62 174.62 2k3k s ILE 9 N -0.97 1.57 -0.07 1.82 -4.36 -0.31 -1.59 121.20 117.29 2k3k s ILE 9 Ca 0.12 -1.97 0.04 0.00 -0.26 0.00 0.00 60.65 58.58 2k3k s ILE 9 Cb -0.10 -1.81 0.00 0.00 1.25 0.00 0.00 42.46 41.80 2k3k s ILE 9 CO 0.04 -0.49 -0.17 -0.47 0.24 0.00 0.00 174.94 174.09 2k3k s TYR 10 N -2.53 1.85 -0.05 1.37 5.04 0.12 -1.79 117.35 121.37 2k3k s TYR 10 Ca 0.16 -0.65 0.06 0.00 -2.44 0.00 0.00 57.07 54.20 2k3k s TYR 10 Cb -0.03 -1.27 -0.02 0.00 0.35 0.00 0.00 41.96 40.99 2k3k s TYR 10 CO 0.05 -0.27 -0.23 0.42 -1.34 0.00 0.00 175.55 174.18 2k3k s ILE 11 N 0.33 2.26 0.00 3.14 1.01 0.06 -0.91 121.20 127.09 2k3k s ILE 11 Ca -0.11 -1.01 0.00 0.00 0.00 0.00 0.00 60.65 59.53 2k3k s ILE 11 Cb -0.15 -1.82 0.00 0.00 0.01 0.00 0.00 42.46 40.50 2k3k s ILE 11 CO 0.04 0.57 0.79 -0.46 0.00 0.00 0.00 174.94 175.88 2k3k n ASN 12 N 2.69 0.00 -2.82 3.58 0.23 -0.27 -1.14 115.26 117.53 2k3k n ASN 12 Ca -0.17 -1.62 -0.00 0.00 -0.53 0.00 0.00 54.58 52.26 2k3k n ASN 12 Cb 0.52 -0.12 0.06 0.00 -2.08 0.00 0.00 39.78 38.15 2k3k n ASN 12 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 2k3k n ASN 13 N 0.00 1.21 -4.74 0.53 5.15 -0.98 -4.78 115.26 111.66 2k3k n ASN 13 Ca 0.00 -2.05 -0.35 0.00 -0.60 0.00 0.00 54.58 51.58 2k3k n ASN 13 Cb 0.62 -0.34 0.07 0.00 -0.53 0.00 0.00 39.78 39.60 2k3k n ASN 13 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2k3k s LEU 14 N -3.84 3.45 -0.10 1.20 1.43 -0.55 -4.58 118.68 115.69 2k3k s LEU 14 Ca 0.25 2.36 -0.29 0.00 -1.03 0.00 0.00 54.13 55.41 2k3k s LEU 14 Cb 0.34 -4.59 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2k3k s LEU 14 CO -0.05 -1.99 1.44 0.21 0.23 0.00 0.00 176.35 176.20 2k3k s ASN 15 N -1.90 6.82 0.49 2.29 3.84 -1.26 -4.45 114.94 120.77 2k3k s ASN 15 Ca 0.75 1.96 0.33 0.00 0.21 0.00 0.00 52.86 56.11 2k3k s ASN 15 Cb -0.29 -2.54 1.77 0.00 -0.55 0.00 0.00 41.25 39.63 2k3k s ASN 15 CO 0.41 -0.83 2.00 1.05 -2.79 0.00 0.00 177.10 176.94 2k3k h GLU 16 N 8.75 0.00 0.00 0.43 9.09 -1.94 -1.93 114.58 128.98 2k3k h GLU 16 Ca -0.33 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 59.04 2k3k h GLU 16 Cb 1.14 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.24 2k3k h GLU 16 CO 0.96 0.00 -0.17 1.57 0.05 0.00 0.00 179.01 181.42 2k3k h LYS 17 N 0.00 0.00 -6.39 1.06 2.10 -1.90 -3.45 116.57 107.99 2k3k h LYS 17 Ca 0.00 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.11 2k3k h LYS 17 Cb 0.01 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.35 2k3k h LYS 17 CO 0.00 0.17 1.04 0.42 -2.00 0.00 0.00 179.45 179.08 2k3k s ILE 18 N -4.49 3.19 0.91 0.07 -1.09 -0.73 -5.00 121.20 114.07 2k3k s ILE 18 Ca -0.04 0.52 -0.12 0.00 -2.23 0.00 0.00 60.65 58.79 2k3k s ILE 18 Cb 0.15 -3.33 0.14 0.00 -1.58 0.00 0.00 42.46 37.83 2k3k s ILE 18 CO 0.66 -0.02 1.09 -0.54 -1.23 0.00 0.00 174.94 174.91 2k3k s LYS 19 N 3.14 1.14 0.19 2.79 1.02 -1.26 -4.82 119.74 121.94 2k3k s LYS 19 Ca 0.75 0.77 -0.12 0.00 0.02 0.00 0.00 55.97 57.38 2k3k s LYS 19 Cb -0.38 -1.80 0.18 0.00 -0.52 0.00 0.00 37.83 35.31 2k3k s LYS 19 CO 0.32 -2.31 1.77 -0.22 -0.92 0.00 0.00 175.35 173.99 2k3k h LYS 20 N -1.60 0.45 -0.76 1.68 3.64 -1.93 -0.60 116.57 117.45 2k3k h LYS 20 Ca -0.50 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 2k3k h LYS 20 Cb 1.29 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.97 2k3k h LYS 20 CO 0.55 0.30 0.41 1.49 -2.27 0.00 0.00 179.45 179.93 2k3k h GLU 21 N 0.46 1.07 -0.38 1.90 4.81 -1.97 0.47 114.58 120.94 2k3k h GLU 21 Ca 0.25 -0.13 -0.13 0.00 -0.13 0.00 0.00 59.36 59.22 2k3k h GLU 21 Cb 0.22 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2k3k h GLU 21 CO -0.21 0.80 -0.28 0.93 -0.73 0.00 0.00 179.01 179.52 2k3k h GLU 22 N 1.06 0.86 -0.33 1.92 5.08 -1.77 -0.19 114.58 121.20 2k3k h GLU 22 Ca 0.27 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2k3k h GLU 22 Cb 0.05 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2k3k h GLU 22 CO -0.04 1.06 0.15 1.25 -1.00 0.00 0.00 179.01 180.43 2k3k h LEU 23 N 0.67 0.21 -0.06 1.33 7.12 -0.89 0.23 115.31 123.92 2k3k h LEU 23 Ca 0.07 0.02 0.00 0.00 0.13 0.00 0.00 57.88 58.10 2k3k h LEU 23 Cb 0.86 -0.02 -0.00 0.00 -0.53 0.00 0.00 40.66 40.97 2k3k h LEU 23 CO 0.08 0.16 0.04 0.50 -0.13 0.00 0.00 178.44 179.08 2k3k h LYS 24 N 0.32 0.08 -0.36 1.25 3.64 -0.56 -1.13 116.57 119.81 2k3k h LYS 24 Ca 0.14 -0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 2k3k h LYS 24 Cb 0.07 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2k3k h LYS 24 CO -0.11 0.08 0.13 0.87 -2.27 0.00 0.00 179.45 178.15 2k3k h LYS 25 N 0.06 0.55 -0.55 1.90 1.57 -0.91 -1.49 116.57 117.70 2k3k h LYS 25 Ca 0.02 -0.11 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2k3k h LYS 25 Cb 0.02 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 2k3k h LYS 25 CO -0.00 0.55 0.05 0.66 -0.57 0.00 0.00 179.45 180.14 2k3k h SER 26 N 0.44 0.87 -0.03 0.86 4.64 -0.73 0.16 113.55 119.77 2k3k h SER 26 Ca 0.12 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 2k3k h SER 26 Cb 0.22 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2k3k h SER 26 CO -0.01 0.90 0.01 -0.07 -0.87 0.00 0.00 176.83 176.80 2k3k h LEU 27 N 0.85 0.04 -1.10 5.97 3.38 -1.13 -1.26 115.31 122.06 2k3k h LEU 27 Ca 0.17 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 58.02 2k3k h LEU 27 Cb 0.43 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2k3k h LEU 27 CO 0.01 0.16 0.60 0.22 0.09 0.00 0.00 178.44 179.52 2k3k h TYR 28 N -0.08 1.15 -0.39 1.13 3.20 -0.85 -0.04 116.97 121.08 2k3k h TYR 28 Ca 0.01 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2k3k h TYR 28 Cb 0.13 -0.39 -0.01 0.00 1.54 0.00 0.00 36.73 38.00 2k3k h TYR 28 CO -0.03 0.72 -0.20 0.00 -1.64 0.00 0.00 178.16 177.01 2k3k h ALA 29 N 1.43 0.55 0.00 1.82 0.00 -0.45 -3.37 119.26 119.24 2k3k h ALA 29 Ca 0.33 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2k3k h ALA 29 Cb -0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2k3k h ALA 29 CO -0.07 0.51 -0.96 -0.89 0.00 0.00 0.00 179.25 177.84 2k3k n ILE 30 N -4.23 0.38 0.00 0.00 5.41 -0.50 -4.61 119.36 115.81 2k3k n ILE 30 Ca -0.02 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.78 2k3k n ILE 30 Cb 0.43 -1.57 0.31 0.00 -0.71 0.00 0.00 39.64 38.11 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 -0.11 0.53 0.00 1.39 -1.00 -1.14 -0.56 116.94 116.05 2k3k h PHE 31 Ca -0.06 -0.05 -0.02 0.00 2.81 0.00 0.00 57.97 60.65 2k3k h PHE 31 Cb 0.88 -0.16 -0.00 0.00 3.61 0.00 0.00 35.95 40.28 2k3k h PHE 31 CO -0.02 0.51 -0.12 0.77 -1.61 0.00 0.00 178.31 177.84 2k3k h SER 32 N 0.50 0.00 0.35 2.17 0.02 -1.62 -1.38 113.55 113.59 2k3k h SER 32 Ca 0.11 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.06 2k3k h SER 32 Cb 0.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.83 2k3k h SER 32 CO 0.01 0.12 0.00 0.00 -1.14 0.00 0.00 176.83 175.81 2k3k n GLN 33 N -3.96 0.16 -0.16 3.45 1.13 -0.22 -0.74 117.38 117.04 2k3k n GLN 33 Ca -0.02 0.52 0.05 0.00 -1.94 0.00 0.00 57.00 55.61 2k3k n GLN 33 Cb 0.21 -1.89 0.13 0.00 0.11 0.00 0.00 30.24 28.80 2k3k n GLN 33 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2k3k n PHE 34 N -2.20 0.36 0.00 1.08 3.72 -0.53 -4.86 117.46 115.03 2k3k n PHE 34 Ca 0.00 -0.64 0.00 0.00 -0.05 0.00 0.00 57.45 56.76 2k3k n PHE 34 Cb 0.13 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.56 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 -0.24 0.00 2.29 1.37 0.00 -1.00 -2.93 105.19 104.69 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 -4.72 -1.63 1.61 -0.06 0.08 -4.15 117.38 108.51 2k3k n GLN 36 Ca 0.00 3.40 -0.33 0.00 -2.00 0.00 0.00 57.00 58.07 2k3k n GLN 36 Cb 0.00 -4.24 0.06 0.00 -4.06 0.00 0.00 30.24 22.01 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 -0.53 2.89 -0.05 1.69 1.01 -1.26 -1.07 121.20 123.89 2k3k s ILE 37 Ca 0.00 0.42 0.01 0.00 0.00 0.00 0.00 60.65 61.09 2k3k s ILE 37 Cb 0.00 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.48 2k3k s ILE 37 CO 0.00 -0.25 -0.03 -0.11 0.00 0.00 0.00 174.94 174.55 2k3k n LEU 38 N -2.54 2.27 -3.59 2.97 7.94 0.69 -4.60 117.00 120.14 2k3k n LEU 38 Ca 0.11 -0.02 -0.10 0.00 -1.11 0.00 0.00 56.01 54.89 2k3k n LEU 38 Cb 0.51 -0.11 -0.03 0.00 0.53 0.00 0.00 43.42 44.32 2k3k n LEU 38 CO 0.48 0.47 0.33 -0.62 -1.11 0.00 0.00 177.39 176.94 2k3k s ASP 39 N -4.27 -0.39 0.01 1.96 2.15 -0.61 -4.98 116.67 110.53 2k3k s ASP 39 Ca -0.06 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 52.67 2k3k s ASP 39 Cb 0.02 0.59 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 2k3k s ASP 39 CO 0.13 -1.02 -0.02 -0.63 -0.17 0.00 0.00 175.17 173.47 2k3k s ILE 40 N -3.81 0.10 -0.16 4.11 1.01 -1.26 -0.47 121.20 120.72 2k3k s ILE 40 Ca 0.05 -0.28 -0.04 0.00 0.00 0.00 0.00 60.65 60.38 2k3k s ILE 40 Cb -0.01 -0.13 0.06 0.00 0.01 0.00 0.00 42.46 42.39 2k3k s ILE 40 CO -0.08 -0.11 0.11 -0.69 0.00 0.00 0.00 174.94 174.17 2k3k s VAL 41 N -0.40 -0.14 0.28 2.92 1.01 0.07 -4.99 120.40 119.16 2k3k s VAL 41 Ca -0.04 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 61.84 2k3k s VAL 41 Cb -0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 2k3k s VAL 41 CO -0.00 -0.19 0.38 0.00 0.00 0.00 0.00 175.10 175.28 2k3k s ALA 42 N 2.18 0.69 0.03 5.51 0.00 -1.26 -0.81 121.76 128.09 2k3k s ALA 42 Ca 0.03 -1.44 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 2k3k s ALA 42 Cb -0.15 1.22 0.01 0.00 0.00 0.00 0.00 23.12 24.19 2k3k s ALA 42 CO -0.09 -0.75 0.24 -1.17 0.00 0.00 0.00 175.76 173.99 2k3k s LEU 43 N -3.17 1.17 0.43 0.00 1.98 -1.21 -4.98 118.68 112.91 2k3k s LEU 43 Ca 0.31 -0.21 0.29 0.00 -2.89 0.00 0.00 54.13 51.63 2k3k s LEU 43 Cb 0.01 1.08 1.19 0.00 0.66 0.00 0.00 46.19 49.14 2k3k s LEU 43 CO 0.16 -0.53 1.87 0.50 -1.89 0.00 0.00 176.35 176.46 2k3k h LYS 44 N 3.58 0.00 -7.06 1.98 3.64 -1.96 -3.33 116.57 113.42 2k3k h LYS 44 Ca -0.31 0.00 -0.51 0.00 -1.27 0.00 0.00 60.65 58.56 2k3k h LYS 44 Cb 1.19 0.00 0.08 0.00 -0.41 0.00 0.00 32.23 33.09 2k3k h LYS 44 CO 0.45 0.00 0.47 0.95 -2.27 0.00 0.00 179.45 179.05 2k3k s THR 45 N -3.51 2.99 0.35 1.00 -4.23 -1.26 -4.85 115.64 106.13 2k3k s THR 45 Ca 0.03 0.67 0.07 0.00 -1.18 0.00 0.00 61.69 61.27 2k3k s THR 45 Cb 0.09 -3.30 0.31 0.00 1.34 0.00 0.00 72.50 70.94 2k3k s THR 45 CO 0.49 -0.09 1.90 0.25 -0.54 0.00 0.00 174.62 176.63 2k3k h LEU 46 N 1.45 0.68 -0.56 4.79 6.46 -1.97 -1.26 115.31 124.89 2k3k h LEU 46 Ca -0.50 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.29 2k3k h LEU 46 Cb 1.27 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.08 2k3k h LEU 46 CO 0.58 0.39 0.01 2.29 -0.62 0.00 0.00 178.44 181.08 2k3k n LYS 47 N -4.52 0.05 -1.11 1.25 2.85 -1.26 -1.71 118.16 113.71 2k3k n LYS 47 Ca 0.15 0.55 0.03 0.00 -1.05 0.00 0.00 58.31 57.99 2k3k n LYS 47 Cb 0.37 -1.69 0.04 0.00 -0.65 0.00 0.00 35.03 33.09 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 -1.79 0.18 -0.05 -1.58 2.81 -0.51 -4.69 117.12 111.50 2k3k n MET 48 Ca -0.01 -1.88 -0.13 0.00 -1.81 0.00 0.00 57.70 53.88 2k3k n MET 48 Cb 0.02 -0.32 -0.14 0.00 -0.71 0.00 0.00 33.22 32.07 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 0.16 0.67 0.00 0.03 1.74 -0.69 -3.29 116.66 115.29 2k3k n ARG 49 Ca 0.06 0.19 0.12 0.00 -0.77 0.00 0.00 57.85 57.46 2k3k n ARG 49 Cb 0.98 -1.67 0.20 0.00 -1.02 0.00 0.00 32.46 30.95 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 1.78 -0.03 3.11 -0.13 0.00 -1.25 -4.10 105.19 104.55 2k3k n GLY 50 Ca -0.27 -0.55 -0.17 0.00 0.00 0.00 0.00 46.02 45.02 2k3k n GLY 50 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k3k s GLN 51 N -2.35 0.75 0.20 1.61 1.11 -1.26 -1.49 119.66 118.24 2k3k s GLN 51 Ca 0.24 -0.74 -0.20 0.00 0.01 0.00 0.00 55.36 54.68 2k3k s GLN 51 Cb 0.19 -0.69 0.04 0.00 -1.01 0.00 0.00 33.01 31.53 2k3k s GLN 51 CO 0.48 0.16 0.58 0.00 0.01 0.00 0.00 175.29 176.53 2k3k s ALA 52 N -0.99 -1.15 0.09 6.09 0.00 -0.29 -4.59 121.76 120.92 2k3k s ALA 52 Ca -0.02 -0.07 0.06 0.00 0.00 0.00 0.00 51.96 51.93 2k3k s ALA 52 Cb -0.08 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 2k3k s ALA 52 CO 0.01 -0.84 -0.17 -0.06 0.00 0.00 0.00 175.76 174.70 2k3k s PHE 53 N -3.85 1.46 -0.17 0.00 0.40 0.01 -0.76 117.98 115.07 2k3k s PHE 53 Ca 0.08 -0.45 -0.13 0.00 -0.60 0.00 0.00 56.93 55.82 2k3k s PHE 53 Cb -0.02 -0.80 0.05 0.00 0.51 0.00 0.00 43.02 42.75 2k3k s PHE 53 CO -0.03 0.13 0.43 0.54 0.70 0.00 0.00 175.22 176.98 2k3k s VAL 54 N -1.34 -0.01 -0.08 -0.44 0.11 -0.74 -0.75 120.40 117.14 2k3k s VAL 54 Ca 0.03 0.03 -0.00 0.00 -2.93 0.00 0.00 61.98 59.10 2k3k s VAL 54 Cb -0.09 -0.61 -0.03 0.00 -1.53 0.00 0.00 36.38 34.12 2k3k s VAL 54 CO 0.03 0.01 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.13 2k3k s ILE 55 N 0.61 3.81 0.40 7.04 1.09 0.38 -1.17 121.20 133.37 2k3k s ILE 55 Ca -0.03 -0.43 0.07 0.00 -1.10 0.00 0.00 60.65 59.16 2k3k s ILE 55 Cb -0.05 -2.58 -0.08 0.00 -1.06 0.00 0.00 42.46 38.70 2k3k s ILE 55 CO -0.04 0.59 -0.01 -0.36 -0.10 0.00 0.00 174.94 175.02 2k3k s PHE 56 N -0.69 2.50 0.15 3.97 0.40 -0.22 -0.22 117.98 123.88 2k3k s PHE 56 Ca 0.10 -0.64 -0.21 0.00 -0.60 0.00 0.00 56.93 55.59 2k3k s PHE 56 Cb -0.11 -1.71 0.04 0.00 0.51 0.00 0.00 43.02 41.75 2k3k s PHE 56 CO 0.02 0.47 1.65 -0.22 0.70 0.00 0.00 175.22 177.84 2k3k h LYS 57 N 1.82 -0.17 -3.74 0.44 3.64 -1.26 -3.41 116.57 113.89 2k3k h LYS 57 Ca -0.44 0.01 -0.09 0.00 -1.27 0.00 0.00 60.65 58.87 2k3k h LYS 57 Cb 1.24 0.04 -0.15 0.00 -0.41 0.00 0.00 32.23 32.96 2k3k h LYS 57 CO 0.79 -0.11 -0.36 -1.21 -2.27 0.00 0.00 179.45 176.29 2k3k s GLU 58 N -6.13 0.83 0.38 1.90 2.02 -1.26 -5.04 118.70 111.40 2k3k s GLU 58 Ca -0.14 -0.88 0.08 0.00 0.02 0.00 0.00 54.97 54.04 2k3k s GLU 58 Cb 0.12 0.34 0.76 0.00 0.10 0.00 0.00 34.13 35.45 2k3k s GLU 58 CO 0.69 -0.26 1.92 -0.84 0.02 0.00 0.00 175.26 176.79 2k3k h ILE 59 N 2.86 1.17 -0.27 -1.63 3.07 -1.88 0.12 117.51 120.95 2k3k h ILE 59 Ca -0.34 -0.70 -0.18 0.00 1.55 0.00 0.00 64.86 65.20 2k3k h ILE 59 Cb 1.20 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 38.81 2k3k h ILE 59 CO 0.54 0.23 -0.53 1.23 -1.05 0.00 0.00 178.15 178.57 2k3k h GLY 60 N 0.72 0.85 1.06 0.16 0.00 -1.98 -1.31 103.07 102.57 2k3k h GLY 60 Ca 0.07 -0.98 -0.10 0.00 0.00 0.00 0.00 47.33 46.31 2k3k h GLY 60 CO 0.01 0.88 -0.08 1.76 0.00 0.00 0.00 176.54 179.11 2k3k h SER 61 N 0.60 0.96 -0.33 0.19 0.02 -1.71 -0.53 113.55 112.76 2k3k h SER 61 Ca 0.02 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.65 2k3k h SER 61 Cb 1.12 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 63.37 2k3k h SER 61 CO 0.11 1.08 0.14 0.00 -1.14 0.00 0.00 176.83 177.03 2k3k h ALA 62 N 0.91 0.40 -0.64 3.77 0.00 -0.95 -0.99 119.26 121.76 2k3k h ALA 62 Ca 0.14 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2k3k h ALA 62 Cb 0.64 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2k3k h ALA 62 CO 0.04 -0.24 0.42 0.77 0.00 0.00 0.00 179.25 180.24 2k3k h SER 63 N 0.30 0.73 -0.14 0.00 0.02 -0.89 -0.62 113.55 112.96 2k3k h SER 63 Ca 0.15 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 2k3k h SER 63 Cb 0.09 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2k3k h SER 63 CO -0.12 0.52 0.06 -1.13 -1.14 0.00 0.00 176.83 175.02 2k3k h ASN 64 N 0.86 0.18 0.01 3.07 -1.24 -0.76 -0.72 115.58 116.98 2k3k h ASN 64 Ca 0.24 -0.15 0.02 0.00 0.71 0.00 0.00 56.30 57.11 2k3k h ASN 64 Cb -0.08 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 38.89 2k3k h ASN 64 CO -0.06 0.29 -0.12 0.00 -1.29 0.00 0.00 177.43 176.25 2k3k h ALA 65 N 0.90 -0.14 0.37 1.57 0.00 -1.01 -1.23 119.26 119.72 2k3k h ALA 65 Ca 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k3k h ALA 65 Cb 0.16 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 2k3k h ALA 65 CO -0.00 -0.61 -0.51 1.25 0.00 0.00 0.00 179.25 179.37 2k3k h LEU 66 N -0.21 -1.45 -0.78 0.00 6.46 -0.96 -0.71 115.31 117.67 2k3k h LEU 66 Ca 0.04 0.13 -0.07 0.00 -0.12 0.00 0.00 57.88 57.86 2k3k h LEU 66 Cb 0.26 0.50 -0.03 0.00 -0.73 0.00 0.00 40.66 40.66 2k3k h LEU 66 CO -0.11 -0.63 0.10 -0.09 -0.62 0.00 0.00 178.44 177.09 2k3k h ARG 67 N -0.92 1.02 -0.45 1.25 2.43 -1.05 -0.17 114.38 116.50 2k3k h ARG 67 Ca -0.04 -0.26 -0.09 0.00 -0.81 0.00 0.00 59.98 58.77 2k3k h ARG 67 Cb 0.83 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2k3k h ARG 67 CO -0.14 0.94 -0.09 1.15 -1.51 0.00 0.00 179.97 180.33 2k3k h THR 68 N 0.96 1.27 0.00 0.20 2.02 -1.10 -3.19 112.91 113.08 2k3k h THR 68 Ca 0.19 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.18 2k3k h THR 68 Cb 0.42 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.95 2k3k h THR 68 CO 0.01 0.41 -0.38 0.23 0.37 0.00 0.00 175.52 176.16 2k3k n MET 69 N -4.29 0.03 -1.67 6.66 2.81 -0.28 -4.71 117.12 115.66 2k3k n MET 69 Ca -0.00 0.01 -0.47 0.00 -1.81 0.00 0.00 57.70 55.43 2k3k n MET 69 Cb 0.36 -1.52 -0.04 0.00 -0.71 0.00 0.00 33.22 31.31 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 -1.57 2.11 -0.75 0.03 -0.06 -0.11 -1.32 117.38 115.72 2k3k n GLN 70 Ca 0.06 0.77 0.00 0.00 -2.00 0.00 0.00 57.00 55.82 2k3k n GLN 70 Cb 0.35 -2.56 0.00 0.00 -4.06 0.00 0.00 30.24 23.97 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 3.78 0.66 3.76 1.69 0.00 -0.45 -4.94 105.19 109.70 2k3k n GLY 71 Ca 0.19 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 3.25 -1.17 1.61 5.36 -0.43 -4.20 117.98 119.68 2k3k s PHE 72 Ca 0.00 1.51 -0.19 0.00 -0.96 0.00 0.00 56.93 57.29 2k3k s PHE 72 Cb 0.00 -3.53 -0.04 0.00 -0.34 0.00 0.00 43.02 39.11 2k3k s PHE 72 CO 0.00 -1.39 2.00 -0.35 -1.46 0.00 0.00 175.22 174.02 2k3k n PRO 73 N 1.05 2.29 0.21 10.12 -0.04 -1.26 -0.83 135.00 146.54 2k3k n PRO 73 Ca -0.00 -2.45 0.04 0.00 -0.04 0.00 0.00 63.50 61.05 2k3k n PRO 73 Cb 0.43 -3.27 0.45 0.00 -0.04 0.00 0.00 33.50 31.07 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 7.43 0.00 -1.35 0.54 3.57 -1.92 -3.45 116.94 121.76 2k3k h PHE 74 Ca 0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.95 2k3k h PHE 74 Cb 0.73 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.47 2k3k h PHE 74 CO 1.35 0.25 0.00 0.66 -2.23 0.00 0.00 178.31 178.34 2k3k n TYR 75 N -4.23 -0.02 0.38 0.41 4.01 -1.26 -5.01 117.16 111.44 2k3k n TYR 75 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2k3k n TYR 75 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.02 0.32 -3.88 7.72 2.03 -1.26 -4.56 116.55 115.90 2k3k n ASP 76 Ca 0.00 -0.70 -0.13 0.00 0.52 0.00 0.00 54.79 54.49 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 -1.09 0.06 0.16 -0.67 1.02 -1.26 -5.06 119.74 112.90 2k3k s LYS 77 Ca 0.00 -0.02 -0.31 0.00 0.02 0.00 0.00 55.97 55.66 2k3k s LYS 77 Cb 0.00 -0.06 -0.08 0.00 -0.52 0.00 0.00 37.83 37.16 2k3k s LYS 77 CO 0.00 0.01 1.36 -1.25 -0.92 0.00 0.00 175.35 174.56 2k3k s PRO 78 N 0.01 4.34 0.67 -1.68 0.04 -1.26 -3.83 135.00 133.29 2k3k s PRO 78 Ca 0.00 2.09 -0.17 0.00 0.04 0.00 0.00 61.00 62.96 2k3k s PRO 78 Cb -0.01 -3.21 0.01 0.00 0.04 0.00 0.00 34.50 31.33 2k3k s PRO 78 CO -0.00 -0.36 1.25 -1.64 0.04 0.00 0.00 177.00 176.28 2k3k s MET 79 N 0.46 2.44 -0.07 4.56 -1.94 -0.01 -4.83 119.30 119.91 2k3k s MET 79 Ca 0.61 1.91 0.01 0.00 -1.71 0.00 0.00 55.69 56.51 2k3k s MET 79 Cb -0.37 -1.85 0.02 0.00 2.01 0.00 0.00 34.83 34.64 2k3k s MET 79 CO 0.35 -1.64 -0.06 -0.65 -0.01 0.00 0.00 175.02 173.00 2k3k s GLN 80 N -3.58 1.13 0.04 2.03 -1.52 -1.26 -1.34 119.66 115.17 2k3k s GLN 80 Ca 0.79 -0.17 0.01 0.00 -1.95 0.00 0.00 55.36 54.04 2k3k s GLN 80 Cb -0.33 -1.14 -0.03 0.00 -0.22 0.00 0.00 33.01 31.29 2k3k s GLN 80 CO 0.41 -0.13 -0.05 0.42 -0.25 0.00 0.00 175.29 175.68 2k3k s ILE 81 N 1.20 0.36 0.17 1.08 1.01 -1.26 -1.12 121.20 122.64 2k3k s ILE 81 Ca -0.06 -1.25 -0.05 0.00 0.00 0.00 0.00 60.65 59.28 2k3k s ILE 81 Cb -0.14 -0.78 -0.02 0.00 0.01 0.00 0.00 42.46 41.53 2k3k s ILE 81 CO -0.02 -0.59 0.20 0.00 0.00 0.00 0.00 174.94 174.54 2k3k s ALA 82 N -2.12 0.46 0.18 9.38 0.00 -0.09 -5.00 121.76 124.57 2k3k s ALA 82 Ca -0.06 -1.21 -0.23 0.00 0.00 0.00 0.00 51.96 50.45 2k3k s ALA 82 Cb -0.05 0.97 -0.08 0.00 0.00 0.00 0.00 23.12 23.96 2k3k s ALA 82 CO -0.02 -0.60 0.75 1.52 0.00 0.00 0.00 175.76 177.40 2k3k s TYR 83 N -4.03 3.82 0.90 0.00 1.13 -1.26 -0.70 117.35 117.21 2k3k s TYR 83 Ca 0.24 1.55 -0.11 0.00 -1.41 0.00 0.00 57.07 57.33 2k3k s TYR 83 Cb 0.05 -2.71 0.13 0.00 -1.10 0.00 0.00 41.96 38.33 2k3k s TYR 83 CO 0.03 0.46 1.10 -1.12 -2.51 0.00 0.00 175.55 173.51 2k3k s SER 84 N -1.29 3.36 -1.65 -0.18 0.01 -0.62 -3.30 113.70 110.03 2k3k s SER 84 Ca 0.38 1.71 0.00 0.00 1.31 0.00 0.00 55.95 59.34 2k3k s SER 84 Cb -0.21 -2.35 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2k3k s SER 84 CO 0.24 -2.74 0.00 0.29 0.41 0.00 0.00 173.24 171.44 2k3k n LYS 85 N -3.97 -1.35 -2.64 12.44 5.02 -1.26 -4.80 118.16 121.61 2k3k n LYS 85 Ca 0.08 0.96 -0.05 0.00 -2.02 0.00 0.00 58.31 57.28 2k3k n LYS 85 Cb 0.54 -5.36 0.10 0.00 -0.02 0.00 0.00 35.03 30.29 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 -1.20 -1.62 -4.11 4.39 7.64 -1.21 -5.06 113.62 112.45 2k3k n SER 86 Ca -0.20 -2.23 -0.11 0.00 1.01 0.00 0.00 58.87 57.35 2k3k n SER 86 Cb 0.63 0.90 -0.08 0.00 -1.01 0.00 0.00 64.21 64.66 2k3k n SER 86 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k3k s ASP 87 N -0.99 0.04 0.54 6.43 -4.77 -1.26 -4.70 116.67 111.96 2k3k s ASP 87 Ca 0.16 -1.17 0.26 0.00 -3.30 0.00 0.00 52.55 48.50 2k3k s ASP 87 Cb 0.35 0.47 1.43 0.00 -1.09 0.00 0.00 42.92 44.07 2k3k s ASP 87 CO -0.08 -0.97 1.99 0.28 0.70 0.00 0.00 175.17 177.08 2k3k h SER 88 N 2.46 0.00 -0.18 2.11 0.02 -1.98 -2.14 113.55 113.84 2k3k h SER 88 Ca -0.31 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.59 2k3k h SER 88 Cb 1.25 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 2k3k h SER 88 CO 0.45 0.00 -0.06 -0.78 -1.14 0.00 0.00 176.83 175.30 2k3k h ASP 89 N 0.00 0.37 0.32 3.07 3.58 -1.98 0.06 116.42 121.83 2k3k h ASP 89 Ca 0.25 -0.39 -0.13 0.00 0.42 0.00 0.00 57.03 57.17 2k3k h ASP 89 Cb 1.03 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.97 2k3k h ASP 89 CO -0.00 0.67 -0.54 0.16 -2.88 0.00 0.00 179.24 176.65 2k3k h ILE 90 N 0.06 1.36 -0.34 2.25 3.07 -1.82 -0.88 117.51 121.20 2k3k h ILE 90 Ca 0.04 -1.84 -0.01 0.00 1.55 0.00 0.00 64.86 64.60 2k3k h ILE 90 Cb 0.53 1.90 -0.02 0.00 -0.27 0.00 0.00 36.82 38.96 2k3k h ILE 90 CO 0.02 0.55 0.17 0.58 -1.05 0.00 0.00 178.15 178.41 2k3k h VAL 91 N 0.19 1.16 -0.51 0.16 2.07 -1.31 -0.69 116.25 117.33 2k3k h VAL 91 Ca 0.00 -0.45 -0.04 0.00 0.82 0.00 0.00 66.70 67.03 2k3k h VAL 91 Cb 1.02 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 2k3k h VAL 91 CO 0.08 0.17 0.16 0.00 0.02 0.00 0.00 177.57 178.00 2k3k h ALA 92 N 1.02 1.32 -0.18 1.67 0.00 -0.74 -0.79 119.26 121.56 2k3k h ALA 92 Ca 0.12 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k3k h ALA 92 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2k3k h ALA 92 CO -0.02 0.49 0.04 0.87 0.00 0.00 0.00 179.25 180.64 2k3k h LYS 93 N 0.74 0.29 -0.09 0.00 1.57 -0.64 0.30 116.57 118.74 2k3k h LYS 93 Ca 0.17 -0.07 -0.13 0.00 -1.87 0.00 0.00 60.65 58.75 2k3k h LYS 93 Cb 0.22 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2k3k h LYS 93 CO -0.01 0.43 -0.53 -0.84 -0.57 0.00 0.00 179.45 177.93 2k3k h ILE 94 N 0.09 1.36 0.00 1.86 3.07 -0.90 -2.07 117.51 120.93 2k3k h ILE 94 Ca 0.06 -1.81 -0.06 0.00 1.55 0.00 0.00 64.86 64.59 2k3k h ILE 94 Cb 0.27 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 38.70 2k3k h ILE 94 CO 0.00 0.54 -0.30 0.11 -1.05 0.00 0.00 178.15 177.45 2k3k h LYS 95 N 0.19 0.00 0.00 0.16 1.57 -1.12 -3.47 116.57 113.90 2k3k h LYS 95 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k3k h LYS 95 Cb 1.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2k3k h LYS 95 CO 0.08 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.67 2k3k n GLY 96 N -0.23 3.29 0.15 3.86 0.00 -0.02 -4.93 105.19 107.32 2k3k n GLY 96 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.75 1.08 -0.17 2.61 -2.24 -0.63 -0.54 114.28 112.64 2k3k n THR 97 Ca 0.00 0.72 0.15 0.00 -2.27 0.00 0.00 64.05 62.65 2k3k n THR 97 Cb 0.00 -1.72 0.49 0.00 -2.10 0.00 0.00 70.33 67.00 2k3k n THR 97 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2k3k h PHE 98 N 0.00 0.51 0.00 4.78 3.57 -1.58 -3.39 116.94 120.84 2k3k h PHE 98 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k3k h PHE 98 Cb 0.04 -0.16 0.00 0.00 2.79 0.00 0.00 35.95 38.62 2k3k h PHE 98 CO 0.00 0.19 0.00 0.36 -2.23 0.00 0.00 178.31 176.63 2k3k n LYS 99 N -4.48 4.10 -2.11 1.11 -0.00 -0.40 -5.02 118.16 111.35 2k3k n LYS 99 Ca 0.15 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 58.09 2k3k n LYS 99 Cb 0.52 -0.36 0.02 0.00 -0.00 0.00 0.00 35.03 35.21 2k3k n LYS 99 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2k3k s GLU 100 N -0.06 3.29 0.70 -1.58 0.41 0.30 -5.03 118.70 116.73 2k3k s GLU 100 Ca 0.00 1.80 -0.14 0.00 -0.41 0.00 0.00 54.97 56.22 2k3k s GLU 100 Cb 0.00 -2.10 0.02 0.00 -1.78 0.00 0.00 34.13 30.27 2k3k s GLU 100 CO 0.00 -0.95 1.12 1.03 -0.49 0.00 0.00 175.26 175.97 2k3k s ARG 101 N -3.11 2.56 0.41 1.61 0.52 -1.26 -4.74 118.95 114.93 2k3k s ARG 101 Ca 0.72 1.39 0.15 0.00 -0.52 0.00 0.00 55.73 57.48 2k3k s ARG 101 Cb -0.29 -1.92 0.88 0.00 0.52 0.00 0.00 34.95 34.13 2k3k s ARG 101 CO 0.33 -1.44 1.89 -1.00 0.02 0.00 0.00 175.30 175.11 2k3k h PRO 102 N -0.29 0.00 -3.32 3.54 0.13 -1.98 -3.44 132.00 126.64 2k3k h PRO 102 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2k3k h PRO 102 Cb 1.25 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.22 2k3k h PRO 102 CO 0.53 0.30 -0.20 -1.59 -0.23 0.00 0.00 178.00 176.80 2k3k s LYS 103 N -4.26 0.88 0.00 0.86 -2.85 -1.26 -5.22 119.74 107.89 2k3k s LYS 103 Ca -0.03 -0.57 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 2k3k s LYS 103 Cb 0.14 0.38 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 2k3k s LYS 103 CO 0.70 -0.30 0.37 0.36 0.10 0.00 0.00 175.35 176.58