#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k52 s LEU 2 N 0.00 4.14 0.04 4.03 2.96 -1.26 0.69 118.68 129.29 3k52 s LEU 2 Ca 0.00 0.15 0.06 0.00 -0.22 0.00 0.00 54.13 54.12 3k52 s LEU 2 Cb 0.00 -2.11 -0.02 0.00 0.50 0.00 0.00 46.19 44.56 3k52 s LEU 2 CO 0.00 0.09 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.06 3k52 s THR 3 N 0.89 1.38 -0.27 3.68 2.01 -0.22 0.01 115.64 123.12 3k52 s THR 3 Ca 0.08 -1.09 0.02 0.00 0.31 0.00 0.00 61.69 61.02 3k52 s THR 3 Cb -0.13 -1.22 0.07 0.00 0.01 0.00 0.00 72.50 71.23 3k52 s THR 3 CO 0.03 0.11 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.39 3k52 s ILE 4 N -0.81 1.95 -0.31 1.82 1.01 0.07 -1.42 121.20 123.50 3k52 s ILE 4 Ca 0.05 -1.67 -0.12 0.00 0.00 0.00 0.00 60.65 58.91 3k52 s ILE 4 Cb -0.08 -2.20 -0.03 0.00 0.01 0.00 0.00 42.46 40.15 3k52 s ILE 4 CO 0.01 -0.21 0.21 -0.22 0.00 0.00 0.00 174.94 174.74 3k52 s LEU 5 N 1.17 4.27 -0.20 2.97 1.98 -0.85 -0.01 118.68 128.01 3k52 s LEU 5 Ca -0.03 -0.23 -0.12 0.00 -2.89 0.00 0.00 54.13 50.86 3k52 s LEU 5 Cb -0.19 -2.12 -0.05 0.00 0.66 0.00 0.00 46.19 44.49 3k52 s LEU 5 CO -0.07 -0.15 0.23 -0.75 -1.89 0.00 0.00 176.35 173.72 3k52 s LYS 6 N 1.74 4.18 -0.58 1.98 2.20 0.74 -1.76 119.74 128.23 3k52 s LYS 6 Ca 0.06 -0.07 -0.16 0.00 -0.36 0.00 0.00 55.97 55.45 3k52 s LYS 6 Cb -0.17 -3.47 0.14 0.00 -1.51 0.00 0.00 37.83 32.82 3k52 s LYS 6 CO 0.11 0.16 0.54 -0.51 -0.36 0.00 0.00 175.35 175.28 3k52 s LEU 7 N 0.75 6.27 0.60 5.43 1.43 0.50 -0.74 118.68 132.92 3k52 s LEU 7 Ca 0.12 -1.92 -0.11 0.00 -1.03 0.00 0.00 54.13 51.20 3k52 s LEU 7 Cb -0.13 -2.21 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3k52 s LEU 7 CO 0.03 -0.82 1.01 -0.83 0.23 0.00 0.00 176.35 175.97 3k52 s GLY 8 N 3.39 1.67 -0.00 -3.19 0.00 -0.65 -3.32 107.32 105.23 3k52 s GLY 8 Ca 0.05 -0.11 -0.38 0.00 0.00 0.00 0.00 44.72 44.29 3k52 s GLY 8 CO 0.01 0.16 1.36 0.61 0.00 0.00 0.00 173.10 175.23 3k52 n GLY 9 N -2.64 0.37 0.00 0.20 0.00 -1.26 -3.31 105.19 98.55 3k52 n GLY 9 Ca 0.06 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.83 3k52 n GLY 9 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k52 n SER 10 N 2.78 0.00 0.04 1.61 2.88 -1.17 -4.77 113.62 114.99 3k52 n SER 10 Ca 0.20 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.86 3k52 n SER 10 Cb 0.15 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.57 3k52 n SER 10 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3k52 n ILE 11 N -1.53 0.27 -0.09 2.46 -5.35 -1.21 -4.24 119.36 109.68 3k52 n ILE 11 Ca 0.00 -0.42 -0.09 0.00 -0.27 0.00 0.00 62.75 61.97 3k52 n ILE 11 Cb 0.00 -0.03 -0.13 0.00 -1.74 0.00 0.00 39.64 37.75 3k52 n ILE 11 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3k52 n LEU 12 N -2.29 0.43 -3.69 7.28 4.77 -1.26 -4.56 117.00 117.68 3k52 n LEU 12 Ca -0.00 -0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 3k52 n LEU 12 Cb 0.51 0.24 -0.10 0.00 -2.33 0.00 0.00 43.42 41.74 3k52 n LEU 12 CO 0.42 0.47 0.08 -0.55 -1.33 0.00 0.00 177.39 176.49 3k52 s SER 13 N -5.18 -0.55 0.04 -1.43 0.15 -1.26 -0.19 113.70 105.29 3k52 s SER 13 Ca -0.11 0.94 -0.31 0.00 0.70 0.00 0.00 55.95 57.18 3k52 s SER 13 Cb 0.05 0.84 -0.06 0.00 -1.71 0.00 0.00 66.02 65.14 3k52 s SER 13 CO 0.65 -0.19 1.36 -0.62 1.20 0.00 0.00 173.24 175.63 3k52 s ASP 14 N 1.30 6.89 0.26 5.45 -1.08 -1.26 -3.04 116.67 125.19 3k52 s ASP 14 Ca -0.09 2.15 0.01 0.00 -0.52 0.00 0.00 52.55 54.10 3k52 s ASP 14 Cb -0.08 -2.57 0.32 0.00 -1.46 0.00 0.00 42.92 39.14 3k52 s ASP 14 CO -0.12 -0.65 1.67 0.07 0.52 0.00 0.00 175.17 176.66 3k52 h LYS 15 N 7.32 0.51 -0.51 4.34 2.10 -1.91 -2.89 116.57 125.53 3k52 h LYS 15 Ca -0.40 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 58.03 3k52 h LYS 15 Cb 1.19 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 3k52 h LYS 15 CO 0.87 0.77 0.00 0.09 -2.00 0.00 0.00 179.45 179.19 3k52 n ASN 16 N -4.08 0.66 -3.47 7.07 3.02 -1.26 -4.43 115.26 112.78 3k52 n ASN 16 Ca -0.01 -2.02 -0.29 0.00 -0.03 0.00 0.00 54.58 52.23 3k52 n ASN 16 Cb 0.45 -0.26 -0.12 0.00 -0.61 0.00 0.00 39.78 39.24 3k52 n ASN 16 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3k52 s VAL 17 N -1.51 0.13 -0.03 2.41 1.01 -1.09 -5.12 120.40 116.20 3k52 s VAL 17 Ca 0.02 -1.66 -0.39 0.00 0.00 0.00 0.00 61.98 59.95 3k52 s VAL 17 Cb 0.01 -1.11 -0.18 0.00 0.00 0.00 0.00 36.38 35.10 3k52 s VAL 17 CO 0.01 -0.98 1.33 -2.65 0.00 0.00 0.00 175.10 172.82 3k52 n PRO 18 N 4.10 0.72 -2.85 2.72 -0.02 -1.26 -1.36 135.00 137.05 3k52 n PRO 18 Ca 0.11 0.26 -0.18 0.00 -2.02 0.00 0.00 63.50 61.68 3k52 n PRO 18 Cb 0.37 -1.86 0.03 0.00 -0.02 0.00 0.00 33.50 32.02 3k52 n PRO 18 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3k52 n TYR 19 N 2.71 -1.54 -3.85 6.00 4.01 0.32 -5.01 117.16 119.80 3k52 n TYR 19 Ca 0.21 0.41 -0.26 0.00 -0.16 0.00 0.00 57.90 58.10 3k52 n TYR 19 Cb 0.13 -3.76 -0.03 0.00 -0.31 0.00 0.00 39.34 35.37 3k52 n TYR 19 CO 0.00 0.00 0.00 -1.54 -0.46 0.00 0.00 176.86 174.86 3k52 s SER 20 N -2.77 6.36 -0.02 7.72 1.04 -0.46 -5.05 113.70 120.51 3k52 s SER 20 Ca 0.24 0.26 0.00 0.00 0.48 0.00 0.00 55.95 56.92 3k52 s SER 20 Cb -0.10 -1.95 0.03 0.00 0.10 0.00 0.00 66.02 64.10 3k52 s SER 20 CO 0.29 0.01 0.02 -0.63 0.98 0.00 0.00 173.24 173.92 3k52 s ILE 21 N -1.79 -0.03 -1.11 -1.02 -1.09 -1.26 -4.52 121.20 110.38 3k52 s ILE 21 Ca 0.36 0.18 -0.13 0.00 -2.23 0.00 0.00 60.65 58.83 3k52 s ILE 21 Cb -0.11 -0.10 0.19 0.00 -1.58 0.00 0.00 42.46 40.86 3k52 s ILE 21 CO 0.29 0.09 1.26 -0.54 -1.23 0.00 0.00 174.94 174.81 3k52 s LYS 22 N 0.98 4.00 0.09 2.79 1.02 0.74 -4.91 119.74 124.45 3k52 s LYS 22 Ca -0.08 -2.59 -0.30 0.00 0.02 0.00 0.00 55.97 53.01 3k52 s LYS 22 Cb -0.12 -4.88 -0.14 0.00 -0.52 0.00 0.00 37.83 32.17 3k52 s LYS 22 CO -0.03 -1.61 1.63 -1.49 -0.92 0.00 0.00 175.35 172.93 3k52 h TRP 23 N 7.36 -0.81 -0.45 3.18 4.06 -1.95 -0.52 115.95 126.82 3k52 h TRP 23 Ca 0.24 -0.00 0.09 0.00 2.06 0.00 0.00 58.89 61.28 3k52 h TRP 23 Cb 0.91 0.30 -0.08 0.00 -1.00 0.00 0.00 29.16 29.29 3k52 h TRP 23 CO 1.03 -0.45 -0.05 -0.44 -3.56 0.00 0.00 178.44 174.97 3k52 h ASP 24 N -0.69 -0.29 -0.40 -3.49 3.32 -1.98 0.51 116.42 113.40 3k52 h ASP 24 Ca -0.03 0.12 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3k52 h ASP 24 Cb 0.60 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 3k52 h ASP 24 CO -0.01 -0.10 0.23 -1.13 -1.72 0.00 0.00 179.24 176.51 3k52 h ASN 25 N 0.06 0.48 -0.70 6.45 -0.00 -1.81 0.32 115.58 120.38 3k52 h ASN 25 Ca 0.22 -0.06 -0.00 0.00 -0.00 0.00 0.00 56.30 56.46 3k52 h ASN 25 Cb 0.34 -0.12 -0.03 0.00 -0.00 0.00 0.00 38.32 38.50 3k52 h ASN 25 CO -0.42 0.40 0.43 0.25 -0.00 0.00 0.00 177.43 178.09 3k52 h LEU 26 N 0.52 0.83 -0.71 0.34 5.85 -0.43 0.18 115.31 121.89 3k52 h LEU 26 Ca 0.14 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 3k52 h LEU 26 Cb 0.02 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 3k52 h LEU 26 CO -0.03 0.64 0.31 -0.08 -0.34 0.00 0.00 178.44 178.95 3k52 h GLU 27 N 0.95 1.04 -0.04 1.25 4.57 0.94 -1.41 114.58 121.88 3k52 h GLU 27 Ca 0.25 -0.17 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 3k52 h GLU 27 Cb -0.04 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.37 3k52 h GLU 27 CO -0.05 0.84 -0.02 -0.09 -1.18 0.00 0.00 179.01 178.51 3k52 h ARG 28 N 1.00 0.09 -0.79 1.92 2.43 -0.04 -2.51 114.38 116.48 3k52 h ARG 28 Ca 0.24 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.47 3k52 h ARG 28 Cb 0.17 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.64 3k52 h ARG 28 CO -0.02 0.48 0.43 0.82 -1.51 0.00 0.00 179.97 180.16 3k52 h ILE 29 N -0.30 0.88 -0.73 1.20 2.04 -0.53 -0.13 117.51 119.94 3k52 h ILE 29 Ca 0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.59 3k52 h ILE 29 Cb 0.45 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.59 3k52 h ILE 29 CO 0.01 0.13 0.30 0.00 0.00 0.00 0.00 178.15 178.59 3k52 h ALA 30 N 1.45 1.16 -0.31 1.87 0.00 -1.25 -2.51 119.26 119.67 3k52 h ALA 30 Ca 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3k52 h ALA 30 Cb 0.38 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3k52 h ALA 30 CO -0.26 0.61 0.07 1.98 0.00 0.00 0.00 179.25 181.65 3k52 h MET 31 N 1.05 0.51 -0.36 0.00 1.85 -0.61 -2.33 114.93 115.04 3k52 h MET 31 Ca 0.25 -0.13 -0.05 0.00 -0.61 0.00 0.00 59.70 59.16 3k52 h MET 31 Cb 0.18 -0.06 -0.02 0.00 0.43 0.00 0.00 31.60 32.13 3k52 h MET 31 CO -0.02 0.58 0.02 0.93 -0.40 0.00 0.00 176.91 178.02 3k52 h GLU 32 N 0.35 0.55 -0.58 0.39 5.08 -1.05 0.45 114.58 119.77 3k52 h GLU 32 Ca 0.10 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3k52 h GLU 32 Cb 0.31 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3k52 h GLU 32 CO 0.00 0.57 0.04 0.82 -1.00 0.00 0.00 179.01 179.44 3k52 h ILE 33 N 0.53 1.25 0.37 3.13 2.04 -1.30 -0.62 117.51 122.91 3k52 h ILE 33 Ca 0.12 -1.04 -0.02 0.00 1.00 0.00 0.00 64.86 64.92 3k52 h ILE 33 Cb 0.32 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3k52 h ILE 33 CO 0.01 0.38 -0.18 0.50 0.00 0.00 0.00 178.15 178.86 3k52 h LYS 34 N 0.90 -0.47 -0.80 2.37 1.63 -0.78 -1.04 116.57 118.37 3k52 h LYS 34 Ca 0.17 0.03 0.18 0.00 -0.85 0.00 0.00 60.65 60.19 3k52 h LYS 34 Cb 0.46 0.11 -0.05 0.00 -0.60 0.00 0.00 32.23 32.15 3k52 h LYS 34 CO 0.02 -0.17 0.54 -0.91 -3.45 0.00 0.00 179.45 175.48 3k52 h ASN 35 N -0.81 0.29 0.36 4.20 2.35 -0.91 0.11 115.58 121.17 3k52 h ASN 35 Ca -0.05 0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 55.71 3k52 h ASN 35 Cb 0.53 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3k52 h ASN 35 CO 0.08 0.13 -0.17 0.00 -1.65 0.00 0.00 177.43 175.83 3k52 h ALA 36 N 1.63 -0.48 -0.89 -0.83 0.00 -0.94 -1.58 119.26 116.18 3k52 h ALA 36 Ca 0.40 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3k52 h ALA 36 Cb 1.11 0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.99 3k52 h ALA 36 CO -0.11 -0.56 0.50 -0.07 0.00 0.00 0.00 179.25 179.01 3k52 h LEU 37 N -0.89 0.67 0.28 0.00 3.38 -0.42 -1.89 115.31 116.45 3k52 h LEU 37 Ca -0.05 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3k52 h LEU 37 Cb 0.53 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 3k52 h LEU 37 CO 0.08 0.33 -0.19 0.44 0.09 0.00 0.00 178.44 179.19 3k52 h ASP 38 N 0.76 -0.47 -0.93 -0.43 3.32 -0.81 -2.24 116.42 115.62 3k52 h ASP 38 Ca 0.46 0.03 0.24 0.00 0.02 0.00 0.00 57.03 57.79 3k52 h ASP 38 Cb 0.57 0.14 -0.17 0.00 0.22 0.00 0.00 39.33 40.09 3k52 h ASP 38 CO -0.31 -0.29 0.01 0.22 -1.72 0.00 0.00 179.24 177.15 3k52 h TYR 39 N -0.46 -0.06 -0.03 4.55 3.20 -0.46 0.33 116.97 124.03 3k52 h TYR 39 Ca -0.02 0.07 -0.13 0.00 3.14 0.00 0.00 58.73 61.79 3k52 h TYR 39 Cb 0.39 0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.82 3k52 h TYR 39 CO -0.10 -0.38 -0.56 1.88 -1.64 0.00 0.00 178.16 177.37 3k52 h TYR 40 N 0.04 0.13 0.00 -3.82 -1.99 -1.20 -2.79 116.97 107.34 3k52 h TYR 40 Ca 0.55 -0.05 -0.01 0.00 2.00 0.00 0.00 58.73 61.22 3k52 h TYR 40 Cb 1.07 -0.02 -0.00 0.00 2.00 0.00 0.00 36.73 39.78 3k52 h TYR 40 CO -0.49 0.64 -0.05 0.87 -0.00 0.00 0.00 178.16 179.13 3k52 h LYS 41 N 0.08 0.00 0.20 4.88 6.56 0.24 -0.70 116.57 127.84 3k52 h LYS 41 Ca -0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.58 3k52 h LYS 41 Cb 1.01 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.67 3k52 h LYS 41 CO 0.08 0.05 -0.10 -0.91 -2.06 0.00 0.00 179.45 176.51 3k52 h ASN 42 N 0.00 -0.23 0.00 0.86 4.21 -1.21 -3.04 115.58 116.17 3k52 h ASN 42 Ca -0.00 -0.21 0.00 0.00 1.21 0.00 0.00 56.30 57.30 3k52 h ASN 42 Cb 0.10 0.06 0.00 0.00 -1.12 0.00 0.00 38.32 37.36 3k52 h ASN 42 CO 0.01 0.30 0.07 0.00 -1.29 0.00 0.00 177.43 176.51 3k52 n GLN 43 N -4.95 0.00 -3.85 0.81 1.13 -1.04 -4.76 117.38 104.72 3k52 n GLN 43 Ca -0.06 0.20 -0.26 0.00 -1.94 0.00 0.00 57.00 54.93 3k52 n GLN 43 Cb 0.21 -1.57 0.02 0.00 0.11 0.00 0.00 30.24 29.02 3k52 n GLN 43 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3k52 n ASN 44 N -1.14 -2.67 -4.42 1.08 5.15 -0.38 -4.98 115.26 107.90 3k52 n ASN 44 Ca 0.00 -0.84 -0.35 0.00 -0.60 0.00 0.00 54.58 52.79 3k52 n ASN 44 Cb 0.07 -3.79 -0.13 0.00 -0.53 0.00 0.00 39.78 35.40 3k52 n ASN 44 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3k52 s LYS 45 N -6.37 3.57 -0.30 1.20 2.36 -0.55 -5.03 119.74 114.62 3k52 s LYS 45 Ca 0.32 -0.54 -0.29 0.00 -2.55 0.00 0.00 55.97 52.91 3k52 s LYS 45 Cb -0.16 -3.07 -0.01 0.00 -1.05 0.00 0.00 37.83 33.54 3k52 s LYS 45 CO 0.84 -0.03 1.62 -2.00 1.55 0.00 0.00 175.35 177.33 3k52 s GLU 46 N 1.09 3.60 -0.28 4.03 2.56 -1.26 -4.58 118.70 123.86 3k52 s GLU 46 Ca 0.02 1.41 0.02 0.00 0.00 0.00 0.00 54.97 56.43 3k52 s GLU 46 Cb -0.14 -4.08 0.08 0.00 2.00 0.00 0.00 34.13 31.98 3k52 s GLU 46 CO 0.01 -1.53 -0.02 -1.50 -0.56 0.00 0.00 175.26 171.66 3k52 s ILE 47 N 5.78 1.80 -0.07 -3.70 2.07 -1.26 -4.47 121.20 121.35 3k52 s ILE 47 Ca 0.72 -1.65 -0.26 0.00 -1.41 0.00 0.00 60.65 58.05 3k52 s ILE 47 Cb -0.21 -2.14 -0.03 0.00 0.13 0.00 0.00 42.46 40.21 3k52 s ILE 47 CO 0.31 -0.29 0.83 -0.54 -1.91 0.00 0.00 174.94 173.34 3k52 s LYS 48 N 1.22 4.45 -0.05 3.50 1.02 0.22 -4.99 119.74 125.11 3k52 s LYS 48 Ca -0.00 1.10 0.05 0.00 0.02 0.00 0.00 55.97 57.13 3k52 s LYS 48 Cb -0.19 -3.48 -0.00 0.00 -0.52 0.00 0.00 37.83 33.64 3k52 s LYS 48 CO -0.09 -0.07 -0.19 -1.17 -0.92 0.00 0.00 175.35 172.92 3k52 s LEU 49 N 1.20 1.94 0.14 3.17 2.96 -1.26 -1.05 118.68 125.77 3k52 s LEU 49 Ca 0.43 -0.39 0.10 0.00 -0.22 0.00 0.00 54.13 54.05 3k52 s LEU 49 Cb -0.18 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.41 3k52 s LEU 49 CO 0.20 0.16 -0.19 -0.63 -1.32 0.00 0.00 176.35 174.57 3k52 s ILE 50 N 0.04 2.72 -0.02 6.68 1.01 -0.51 -4.14 121.20 126.98 3k52 s ILE 50 Ca -0.05 -1.63 0.04 0.00 0.00 0.00 0.00 60.65 59.01 3k52 s ILE 50 Cb -0.12 -2.26 -0.01 0.00 0.01 0.00 0.00 42.46 40.08 3k52 s ILE 50 CO 0.03 0.05 -0.14 -0.76 0.00 0.00 0.00 174.94 174.12 3k52 s LEU 51 N -2.27 1.95 -0.04 2.97 1.43 -0.51 -2.00 118.68 120.20 3k52 s LEU 51 Ca 0.18 -0.27 0.02 0.00 -1.03 0.00 0.00 54.13 53.04 3k52 s LEU 51 Cb -0.10 -0.75 0.01 0.00 0.03 0.00 0.00 46.19 45.38 3k52 s LEU 51 CO 0.10 0.15 -0.10 -0.69 0.23 0.00 0.00 176.35 176.03 3k52 s VAL 52 N -0.13 0.93 0.24 -1.59 1.01 -0.72 -0.12 120.40 120.02 3k52 s VAL 52 Ca 0.01 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.66 3k52 s VAL 52 Cb -0.08 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.40 3k52 s VAL 52 CO 0.00 0.30 -0.08 -1.38 0.00 0.00 0.00 175.10 173.94 3k52 s HIS 53 N 0.46 1.79 0.00 5.22 -3.43 -0.75 0.19 115.29 118.76 3k52 s HIS 53 Ca -0.09 -0.70 0.00 0.00 -0.80 0.00 0.00 55.06 53.47 3k52 s HIS 53 Cb -0.12 -0.97 0.00 0.00 -1.43 0.00 0.00 32.58 30.06 3k52 s HIS 53 CO 0.02 0.24 0.00 0.41 -2.00 0.00 0.00 174.74 173.41 3k52 n GLY 54 N -0.48 0.71 0.03 -1.38 0.00 -1.21 -2.23 105.19 100.63 3k52 n GLY 54 Ca -0.06 -1.83 0.11 0.00 0.00 0.00 0.00 46.02 44.23 3k52 n GLY 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k52 n GLY 55 N 5.00 -1.00 3.61 -0.02 0.00 -1.26 -4.28 105.19 107.23 3k52 n GLY 55 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3k52 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k52 n GLY 56 N 1.49 0.87 0.68 -0.02 0.00 -1.26 0.12 105.19 107.07 3k52 n GLY 56 Ca 0.05 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3k52 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k52 n ALA 57 N 2.94 2.62 0.03 4.61 0.00 -1.26 -3.70 120.51 125.75 3k52 n ALA 57 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 3k52 n ALA 57 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 18.44 3k52 n ALA 57 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k52 n PHE 58 N 0.10 -0.13 0.06 0.00 3.72 0.69 0.12 117.46 122.02 3k52 n PHE 58 Ca 0.02 0.02 -0.11 0.00 -0.05 0.00 0.00 57.45 57.34 3k52 n PHE 58 Cb 0.36 0.05 -0.07 0.00 -0.94 0.00 0.00 39.48 38.89 3k52 n PHE 58 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3k52 h GLY 59 N 0.00 -1.20 0.23 1.37 0.00 0.85 -3.07 103.07 101.24 3k52 h GLY 59 Ca 0.00 0.62 -0.01 0.00 0.00 0.00 0.00 47.33 47.94 3k52 h GLY 59 CO 0.00 -0.34 -0.24 0.45 0.00 0.00 0.00 176.54 176.42 3k52 h HIS 60 N -0.48 -0.66 -0.94 5.60 3.86 -1.69 -1.74 115.15 119.11 3k52 h HIS 60 Ca 0.00 0.01 0.14 0.00 -1.16 0.00 0.00 60.37 59.36 3k52 h HIS 60 Cb 0.49 0.26 -0.15 0.00 1.06 0.00 0.00 27.41 29.07 3k52 h HIS 60 CO -0.43 -0.31 -0.39 -1.35 0.86 0.00 0.00 177.93 176.31 3k52 h PRO 61 N -0.46 -0.03 -0.58 2.45 0.11 -1.80 0.16 132.00 131.85 3k52 h PRO 61 Ca -0.03 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.00 3k52 h PRO 61 Cb 0.40 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3k52 h PRO 61 CO -0.03 -0.02 0.01 0.28 -0.21 0.00 0.00 178.00 178.03 3k52 h VAL 62 N -0.03 1.26 0.28 3.15 2.07 -1.46 -3.08 116.25 118.45 3k52 h VAL 62 Ca 0.32 -1.10 -0.01 0.00 0.82 0.00 0.00 66.70 66.73 3k52 h VAL 62 Cb 0.58 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3k52 h VAL 62 CO -0.94 0.40 -0.25 0.00 0.02 0.00 0.00 177.57 176.79 3k52 h ALA 63 N 1.09 -0.98 -0.50 1.67 0.00 0.16 -2.24 119.26 118.46 3k52 h ALA 63 Ca 0.17 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 55.12 3k52 h ALA 63 Cb 0.51 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3k52 h ALA 63 CO 0.03 -0.99 0.58 1.63 0.00 0.00 0.00 179.25 180.50 3k52 n LYS 64 N -3.89 0.01 0.21 0.00 5.02 -0.14 0.31 118.16 119.67 3k52 n LYS 64 Ca -0.06 0.48 0.09 0.00 -2.02 0.00 0.00 58.31 56.80 3k52 n LYS 64 Cb 0.24 -1.18 0.33 0.00 -0.02 0.00 0.00 35.03 34.39 3k52 n LYS 64 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3k52 h LYS 65 N 0.00 0.00 -0.06 1.97 1.57 -1.46 -3.25 116.57 115.34 3k52 h LYS 65 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 3k52 h LYS 65 Cb 1.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.70 3k52 h LYS 65 CO -0.00 0.23 0.00 0.66 -0.57 0.00 0.00 179.45 179.77 3k52 n TYR 66 N -3.26 0.11 -3.70 -1.35 4.01 0.91 -4.93 117.16 108.95 3k52 n TYR 66 Ca 0.01 -0.63 -0.38 0.00 -0.16 0.00 0.00 57.90 56.75 3k52 n TYR 66 Cb 0.51 -0.08 -0.12 0.00 -0.31 0.00 0.00 39.34 39.34 3k52 n TYR 66 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3k52 s LEU 67 N -1.49 3.82 -0.06 7.72 1.43 -1.15 -0.77 118.68 128.17 3k52 s LEU 67 Ca 0.12 -0.38 0.03 0.00 -1.03 0.00 0.00 54.13 52.87 3k52 s LEU 67 Cb 0.09 -1.97 -0.02 0.00 0.03 0.00 0.00 46.19 44.32 3k52 s LEU 67 CO 0.03 -0.12 -0.14 -0.75 0.23 0.00 0.00 176.35 175.60 3k52 s LYS 68 N 1.62 2.63 -0.07 1.70 2.20 0.24 -4.90 119.74 123.16 3k52 s LYS 68 Ca 0.05 -0.69 -0.27 0.00 -0.36 0.00 0.00 55.97 54.70 3k52 s LYS 68 Cb -0.16 -2.42 -0.03 0.00 -1.51 0.00 0.00 37.83 33.71 3k52 s LYS 68 CO 0.05 0.56 0.85 0.42 -0.36 0.00 0.00 175.35 176.88 3k52 s ILE 69 N -0.58 4.93 -0.24 5.43 -1.09 -1.26 -1.48 121.20 126.91 3k52 s ILE 69 Ca 0.08 1.75 -0.06 0.00 -2.23 0.00 0.00 60.65 60.19 3k52 s ILE 69 Cb -0.11 -4.18 0.12 0.00 -1.58 0.00 0.00 42.46 36.70 3k52 s ILE 69 CO 0.01 0.15 0.48 -0.70 -1.23 0.00 0.00 174.94 173.66 3k52 s GLU 70 N 1.27 0.41 -1.48 2.79 2.12 -1.12 -4.91 118.70 117.78 3k52 s GLU 70 Ca 0.44 1.03 -0.12 0.00 0.36 0.00 0.00 54.97 56.68 3k52 s GLU 70 Cb -0.19 0.33 0.06 0.00 0.26 0.00 0.00 34.13 34.59 3k52 s GLU 70 CO 0.20 -0.36 1.04 -0.25 -0.54 0.00 0.00 175.26 175.36 3k52 n ASP 71 N 5.40 -5.39 -1.49 -1.70 8.00 -1.26 -1.43 116.55 118.68 3k52 n ASP 71 Ca -0.07 -0.68 -0.15 0.00 0.71 0.00 0.00 54.79 54.59 3k52 n ASP 71 Cb 0.50 -4.28 -0.03 0.00 -0.02 0.00 0.00 41.12 37.28 3k52 n ASP 71 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k52 n GLY 72 N -1.79 0.57 3.11 0.44 0.00 -1.26 -4.99 105.19 101.27 3k52 n GLY 72 Ca 0.03 -0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 3k52 n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k52 s LYS 73 N -4.09 2.81 -0.12 1.61 1.02 -0.52 -5.08 119.74 115.37 3k52 s LYS 73 Ca 0.00 -0.77 -0.29 0.00 0.02 0.00 0.00 55.97 54.93 3k52 s LYS 73 Cb 0.00 -2.39 -0.06 0.00 -0.52 0.00 0.00 37.83 34.86 3k52 s LYS 73 CO 0.00 -0.15 1.91 -1.59 -0.92 0.00 0.00 175.35 174.60 3k52 s LYS 74 N 1.17 3.75 -0.13 1.68 -2.85 -1.26 -2.81 119.74 119.28 3k52 s LYS 74 Ca 0.01 2.13 0.01 0.00 -1.00 0.00 0.00 55.97 57.12 3k52 s LYS 74 Cb -0.14 -4.17 0.02 0.00 -2.06 0.00 0.00 37.83 31.48 3k52 s LYS 74 CO -0.09 -1.38 -0.16 0.42 0.10 0.00 0.00 175.35 174.24 3k52 s ILE 75 N 5.76 1.62 0.17 3.79 -1.09 -0.55 -4.96 121.20 125.95 3k52 s ILE 75 Ca 0.86 -0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 58.30 3k52 s ILE 75 Cb -0.34 -1.49 -0.08 0.00 -1.58 0.00 0.00 42.46 38.97 3k52 s ILE 75 CO 0.35 0.47 0.89 -0.36 -1.23 0.00 0.00 174.94 175.06 3k52 s PHE 76 N 1.21 3.90 0.32 3.97 0.08 -1.25 0.80 117.98 127.01 3k52 s PHE 76 Ca -0.01 1.79 0.03 0.00 0.12 0.00 0.00 56.93 58.86 3k52 s PHE 76 Cb -0.14 -2.94 -0.04 0.00 -0.57 0.00 0.00 43.02 39.33 3k52 s PHE 76 CO -0.06 0.39 0.15 -1.50 -0.10 0.00 0.00 175.22 174.10 3k52 s ILE 77 N -0.76 0.40 -1.16 0.64 1.10 0.05 -4.85 121.20 116.61 3k52 s ILE 77 Ca 0.41 -2.00 -0.14 0.00 -0.51 0.00 0.00 60.65 58.41 3k52 s ILE 77 Cb -0.24 -2.51 0.14 0.00 0.15 0.00 0.00 42.46 40.00 3k52 s ILE 77 CO 0.29 0.00 0.38 0.59 -2.11 0.00 0.00 174.94 174.09 3k52 n ASN 78 N -0.97 -1.67 0.11 4.50 3.02 -1.26 -4.63 115.26 114.36 3k52 n ASN 78 Ca 0.00 -0.56 0.09 0.00 -0.03 0.00 0.00 54.58 54.09 3k52 n ASN 78 Cb 0.65 -1.49 0.43 0.00 -0.61 0.00 0.00 39.78 38.76 3k52 n ASN 78 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3k52 n MET 79 N -3.48 0.12 0.01 3.52 2.81 -1.26 -0.49 117.12 118.36 3k52 n MET 79 Ca 0.07 0.49 0.21 0.00 -1.81 0.00 0.00 57.70 56.66 3k52 n MET 79 Cb 0.47 -1.80 0.72 0.00 -0.71 0.00 0.00 33.22 31.91 3k52 n MET 79 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3k52 h GLU 80 N 0.00 0.00 0.00 0.03 4.39 -2.02 -2.27 114.58 114.71 3k52 h GLU 80 Ca 0.00 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.56 3k52 h GLU 80 Cb 0.17 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 3k52 h GLU 80 CO 0.00 0.00 -1.53 1.63 -1.16 0.00 0.00 179.01 177.95 3k52 n LYS 81 N -4.11 2.23 -0.05 2.33 4.76 0.36 -4.73 118.16 118.95 3k52 n LYS 81 Ca 0.10 0.01 -0.07 0.00 -2.87 0.00 0.00 58.31 55.48 3k52 n LYS 81 Cb 0.65 -1.20 0.12 0.00 -1.84 0.00 0.00 35.03 32.76 3k52 n LYS 81 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 3k52 h GLY 82 N 1.36 0.72 0.82 0.72 0.00 -0.67 -2.55 103.07 103.48 3k52 h GLY 82 Ca -0.21 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 3k52 h GLY 82 CO 0.00 0.57 0.03 -2.75 0.00 0.00 0.00 176.54 174.39 3k52 h PHE 83 N 0.58 0.19 -0.19 5.60 3.57 -1.69 -1.39 116.94 123.61 3k52 h PHE 83 Ca 0.08 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.52 3k52 h PHE 83 Cb 0.75 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 3k52 h PHE 83 CO 0.03 0.34 -0.01 2.35 -2.23 0.00 0.00 178.31 178.79 3k52 h TRP 84 N -0.01 0.37 -0.12 0.41 -0.00 -1.80 -1.19 115.95 113.59 3k52 h TRP 84 Ca 0.04 -0.07 -0.02 0.00 -0.00 0.00 0.00 58.89 58.84 3k52 h TRP 84 Cb 0.24 -0.09 -0.01 0.00 -0.00 0.00 0.00 29.16 29.30 3k52 h TRP 84 CO 0.00 0.55 -0.02 0.93 -0.00 0.00 0.00 178.44 179.91 3k52 h GLU 85 N 0.08 0.18 0.09 2.65 5.08 -1.39 0.63 114.58 121.88 3k52 h GLU 85 Ca 0.05 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 3k52 h GLU 85 Cb 0.41 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.65 3k52 h GLU 85 CO 0.01 0.21 -0.87 0.82 -1.00 0.00 0.00 179.01 178.18 3k52 h ILE 86 N 0.17 1.41 -0.31 3.13 2.04 -1.19 -2.90 117.51 119.87 3k52 h ILE 86 Ca 0.04 -2.35 0.07 0.00 1.00 0.00 0.00 64.86 63.62 3k52 h ILE 86 Cb 0.16 2.84 -0.07 0.00 -0.74 0.00 0.00 36.82 39.01 3k52 h ILE 86 CO 0.00 0.69 -0.19 1.56 0.00 0.00 0.00 178.15 180.21 3k52 h GLN 87 N -0.09 -0.15 -0.60 2.37 4.20 -0.39 -2.01 115.11 118.45 3k52 h GLN 87 Ca -0.13 0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.64 3k52 h GLN 87 Cb 1.61 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 29.37 3k52 h GLN 87 CO 0.17 -0.10 0.31 -0.09 -0.67 0.00 0.00 178.83 178.45 3k52 h ARG 88 N -0.16 0.56 -0.21 1.46 2.43 0.19 0.75 114.38 119.41 3k52 h ARG 88 Ca 0.16 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.29 3k52 h ARG 88 Cb 0.40 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3k52 h ARG 88 CO -0.40 0.37 0.11 0.00 -1.51 0.00 0.00 179.97 178.54 3k52 h ALA 89 N 1.33 0.26 0.00 2.80 0.00 -1.28 -1.56 119.26 120.81 3k52 h ALA 89 Ca 0.27 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 3k52 h ALA 89 Cb 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3k52 h ALA 89 CO -0.19 -0.20 -0.19 0.52 0.00 0.00 0.00 179.25 179.18 3k52 h MET 90 N 0.22 0.00 -0.20 0.00 2.86 -0.76 -2.37 114.93 114.69 3k52 h MET 90 Ca 0.07 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 57.64 3k52 h MET 90 Cb 0.07 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.73 3k52 h MET 90 CO -0.01 0.19 -0.16 0.00 1.06 0.00 0.00 176.91 177.99 3k52 h ARG 91 N 0.00 0.46 0.04 1.72 3.08 -0.30 -0.76 114.38 118.62 3k52 h ARG 91 Ca -0.00 -0.23 0.01 0.00 0.07 0.00 0.00 59.98 59.83 3k52 h ARG 91 Cb 0.43 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 3k52 h ARG 91 CO 0.03 0.79 -0.39 0.00 -1.07 0.00 0.00 179.97 179.32 3k52 h ARG 92 N 0.14 -0.50 -0.70 0.04 2.47 -0.98 0.12 114.38 114.97 3k52 h ARG 92 Ca 0.04 0.03 0.13 0.00 -1.26 0.00 0.00 59.98 58.92 3k52 h ARG 92 Cb 0.68 0.11 -0.05 0.00 -1.65 0.00 0.00 29.97 29.07 3k52 h ARG 92 CO 0.04 -0.34 0.47 0.35 0.56 0.00 0.00 179.97 181.06 3k52 h PHE 93 N -0.52 0.46 -0.14 3.04 3.57 -1.45 -0.81 116.94 121.09 3k52 h PHE 93 Ca 0.00 0.01 -0.22 0.00 3.53 0.00 0.00 57.97 61.30 3k52 h PHE 93 Cb 0.54 -0.15 0.01 0.00 2.79 0.00 0.00 35.95 39.15 3k52 h PHE 93 CO -0.45 0.19 -0.76 -0.97 -2.23 0.00 0.00 178.31 174.09 3k52 h ASN 94 N 0.41 0.91 0.04 0.41 -1.24 -0.64 -2.43 115.58 113.04 3k52 h ASN 94 Ca 0.34 -0.64 -0.00 0.00 0.71 0.00 0.00 56.30 56.71 3k52 h ASN 94 Cb 0.76 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.54 3k52 h ASN 94 CO -0.10 1.40 -0.02 0.78 -1.29 0.00 0.00 177.43 178.20 3k52 h ASN 95 N 0.48 -0.05 -0.46 1.15 -0.26 0.27 -0.96 115.58 115.75 3k52 h ASN 95 Ca -0.06 -0.06 0.08 0.00 -0.56 0.00 0.00 56.30 55.71 3k52 h ASN 95 Cb 1.40 0.01 -0.07 0.00 -1.06 0.00 0.00 38.32 38.60 3k52 h ASN 95 CO 0.16 0.03 0.06 0.40 -1.06 0.00 0.00 177.43 177.01 3k52 h ILE 96 N -0.12 0.70 -0.30 2.81 2.04 -1.21 0.25 117.51 121.69 3k52 h ILE 96 Ca -0.01 -0.06 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 3k52 h ILE 96 Cb 0.10 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3k52 h ILE 96 CO 0.01 0.03 0.03 0.40 0.00 0.00 0.00 178.15 178.62 3k52 h ILE 97 N 0.18 1.24 -0.44 -0.67 2.04 -1.37 -2.61 117.51 115.88 3k52 h ILE 97 Ca 0.23 -0.85 -0.14 0.00 1.00 0.00 0.00 64.86 65.10 3k52 h ILE 97 Cb 0.32 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3k52 h ILE 97 CO -0.33 0.27 -0.28 0.40 0.00 0.00 0.00 178.15 178.21 3k52 h ILE 98 N 0.31 1.27 -0.23 -0.67 2.04 -0.72 -1.91 117.51 117.59 3k52 h ILE 98 Ca 0.09 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.53 3k52 h ILE 98 Cb 0.37 1.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.65 3k52 h ILE 98 CO 0.01 0.49 0.04 0.44 0.00 0.00 0.00 178.15 179.14 3k52 h ASP 99 N 0.81 0.00 -0.42 1.72 3.32 -0.52 0.69 116.42 122.02 3k52 h ASP 99 Ca 0.09 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.19 3k52 h ASP 99 Cb 0.87 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.44 3k52 h ASP 99 CO 0.08 0.03 0.26 0.74 -1.72 0.00 0.00 179.24 178.64 3k52 h THR 100 N 0.13 1.07 -0.90 0.35 2.02 -1.31 0.61 112.91 114.88 3k52 h THR 100 Ca 0.11 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.12 3k52 h THR 100 Cb 0.11 0.49 -0.05 0.00 -1.74 0.00 0.00 68.15 66.96 3k52 h THR 100 CO -0.14 0.10 0.59 -0.07 0.37 0.00 0.00 175.52 176.37 3k52 h LEU 101 N 0.54 1.01 -0.99 2.58 3.38 -1.11 -2.28 115.31 118.43 3k52 h LEU 101 Ca 0.16 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.02 3k52 h LEU 101 Cb -0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.47 3k52 h LEU 101 CO -0.06 0.72 -0.31 1.56 0.09 0.00 0.00 178.44 180.44 3k52 h GLN 102 N 1.18 0.35 0.00 1.13 1.08 0.22 -0.14 115.11 118.94 3k52 h GLN 102 Ca 0.34 -0.14 0.00 0.00 -1.45 0.00 0.00 58.65 57.40 3k52 h GLN 102 Cb -0.08 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.33 3k52 h GLN 102 CO -0.08 0.63 0.00 0.66 -0.95 0.00 0.00 178.83 179.08 3k52 h SER 103 N 0.31 0.00 -0.51 1.46 4.64 -0.32 0.84 113.55 119.96 3k52 h SER 103 Ca 0.04 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.31 3k52 h SER 103 Cb 0.70 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.76 3k52 h SER 103 CO 0.05 0.00 0.05 -1.22 -0.87 0.00 0.00 176.83 174.85 3k52 n TYR 104 N -2.32 1.82 -3.06 4.77 4.01 -0.97 -4.93 117.16 116.48 3k52 n TYR 104 Ca 0.02 -0.90 -0.22 0.00 -0.16 0.00 0.00 57.90 56.64 3k52 n TYR 104 Cb 0.22 -0.50 0.02 0.00 -0.31 0.00 0.00 39.34 38.77 3k52 n TYR 104 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3k52 n ASP 105 N 0.08 -5.29 -4.60 7.72 8.00 0.29 -4.91 116.55 117.84 3k52 n ASP 105 Ca 0.29 -0.28 -0.41 0.00 0.71 0.00 0.00 54.79 55.10 3k52 n ASP 105 Cb 1.15 -4.31 -0.07 0.00 -0.02 0.00 0.00 41.12 37.87 3k52 n ASP 105 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3k52 s ILE 106 N -3.07 4.97 -0.55 0.53 1.01 -0.10 -4.96 121.20 119.03 3k52 s ILE 106 Ca 0.30 0.80 -0.05 0.00 0.00 0.00 0.00 60.65 61.71 3k52 s ILE 106 Cb -0.14 -3.96 -0.08 0.00 0.01 0.00 0.00 42.46 38.28 3k52 s ILE 106 CO 0.37 -0.10 2.11 -0.81 0.00 0.00 0.00 174.94 176.51 3k52 n PRO 107 N 5.79 1.66 -2.52 2.79 -0.04 -1.26 -3.73 135.00 137.70 3k52 n PRO 107 Ca -0.02 -1.09 -0.34 0.00 -0.04 0.00 0.00 63.50 62.00 3k52 n PRO 107 Cb 0.49 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.73 3k52 n PRO 107 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3k52 s ALA 108 N 2.89 2.86 0.01 0.55 0.00 -1.26 -0.30 121.76 126.52 3k52 s ALA 108 Ca 0.37 0.63 -0.04 0.00 0.00 0.00 0.00 51.96 52.92 3k52 s ALA 108 Cb 0.13 -3.26 -0.01 0.00 0.00 0.00 0.00 23.12 19.97 3k52 s ALA 108 CO -0.02 -0.35 0.07 0.14 0.00 0.00 0.00 175.76 175.60 3k52 s VAL 109 N -1.95 0.10 0.02 0.00 -7.23 -0.30 -4.85 120.40 106.20 3k52 s VAL 109 Ca 0.67 -0.80 -0.29 0.00 -1.81 0.00 0.00 61.98 59.75 3k52 s VAL 109 Cb -0.17 -0.38 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 3k52 s VAL 109 CO 0.21 -0.44 0.95 -0.55 -0.31 0.00 0.00 175.10 174.96 3k52 s SER 110 N -1.45 7.38 -0.23 4.85 0.15 -1.26 0.51 113.70 123.65 3k52 s SER 110 Ca -0.15 1.66 0.01 0.00 0.70 0.00 0.00 55.95 58.17 3k52 s SER 110 Cb -0.08 -2.56 0.03 0.00 -1.71 0.00 0.00 66.02 61.70 3k52 s SER 110 CO 0.00 -0.20 -0.12 -0.63 1.20 0.00 0.00 173.24 173.49 3k52 s ILE 111 N 0.72 2.40 -0.50 6.45 -1.09 -0.65 -4.86 121.20 123.67 3k52 s ILE 111 Ca 0.50 -1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 57.74 3k52 s ILE 111 Cb -0.21 -2.20 0.13 0.00 -1.58 0.00 0.00 42.46 38.60 3k52 s ILE 111 CO 0.28 0.26 0.29 -1.58 -1.23 0.00 0.00 174.94 172.96 3k52 s GLN 112 N 1.25 2.19 0.22 2.79 0.74 -1.26 -3.81 119.66 121.79 3k52 s GLN 112 Ca -0.01 -2.17 -0.07 0.00 0.05 0.00 0.00 55.36 53.16 3k52 s GLN 112 Cb -0.16 -3.60 0.32 0.00 1.10 0.00 0.00 33.01 30.67 3k52 s GLN 112 CO -0.08 -1.11 1.79 -1.35 -0.55 0.00 0.00 175.29 173.99 3k52 h PRO 113 N 7.49 0.61 -0.62 1.67 0.11 -1.92 -2.25 132.00 137.09 3k52 h PRO 113 Ca -0.08 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 66.18 3k52 h PRO 113 Cb 1.00 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.94 3k52 h PRO 113 CO 0.69 0.40 0.82 0.66 -0.21 0.00 0.00 178.00 180.37 3k52 h SER 114 N 0.63 0.00 1.44 -2.05 4.64 -1.87 0.28 113.55 116.62 3k52 h SER 114 Ca 0.34 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 3k52 h SER 114 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 3k52 h SER 114 CO -0.25 0.00 -0.57 0.28 -0.87 0.00 0.00 176.83 175.42 3k52 h SER 115 N 0.00 0.00 0.00 4.97 0.02 -1.71 -3.43 113.55 113.40 3k52 h SER 115 Ca 0.30 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 3k52 h SER 115 Cb 1.94 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.48 3k52 h SER 115 CO -0.00 0.43 0.00 2.22 -1.14 0.00 0.00 176.83 178.33 3k52 n PHE 116 N -3.14 0.00 -2.81 3.45 1.16 0.21 -5.11 117.46 111.22 3k52 n PHE 116 Ca 0.01 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.19 3k52 n PHE 116 Cb 0.72 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 38.52 3k52 n PHE 116 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3k52 s VAL 117 N -0.13 4.15 -0.10 1.97 1.01 0.73 -4.82 120.40 123.21 3k52 s VAL 117 Ca 0.00 1.97 0.00 0.00 0.00 0.00 0.00 61.98 63.96 3k52 s VAL 117 Cb 0.00 -4.26 0.02 0.00 0.00 0.00 0.00 36.38 32.14 3k52 s VAL 117 CO 0.00 0.48 -0.09 -0.69 0.00 0.00 0.00 175.10 174.81 3k52 s VAL 118 N -1.20 1.04 0.21 2.92 1.01 -0.19 -4.03 120.40 120.15 3k52 s VAL 118 Ca 0.40 -0.34 -0.01 0.00 0.00 0.00 0.00 61.98 62.03 3k52 s VAL 118 Cb -0.25 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.15 3k52 s VAL 118 CO 0.30 0.36 0.29 0.33 0.00 0.00 0.00 175.10 176.38 3k52 n PHE 119 N 4.57 -3.44 -0.31 5.22 7.35 0.23 -1.71 117.46 129.38 3k52 n PHE 119 Ca -0.16 -0.43 0.00 0.00 -0.76 0.00 0.00 57.45 56.10 3k52 n PHE 119 Cb 0.51 -0.21 0.00 0.00 0.35 0.00 0.00 39.48 40.12 3k52 n PHE 119 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3k52 n GLY 120 N 2.90 -1.71 0.00 7.13 0.00 -1.26 -3.16 105.19 109.08 3k52 n GLY 120 Ca 0.04 -2.01 0.00 0.00 0.00 0.00 0.00 46.02 44.05 3k52 n GLY 120 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3k52 n ASP 121 N 0.07 0.00 -4.56 1.61 9.92 -1.26 -4.14 116.55 118.19 3k52 n ASP 121 Ca 0.00 0.00 -0.27 0.00 -0.53 0.00 0.00 54.79 53.99 3k52 n ASP 121 Cb 0.00 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 40.60 3k52 n ASP 121 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 3k52 s LYS 122 N 0.00 1.47 -0.67 -1.24 2.20 -1.26 -5.01 119.74 115.23 3k52 s LYS 122 Ca 0.00 -0.56 -0.14 0.00 -0.36 0.00 0.00 55.97 54.91 3k52 s LYS 122 Cb 0.00 -2.10 0.17 0.00 -1.51 0.00 0.00 37.83 34.39 3k52 s LYS 122 CO 0.00 -1.74 0.61 -1.17 -0.36 0.00 0.00 175.35 172.69 3k52 s LEU 123 N -5.46 6.37 -0.52 5.43 2.96 -1.26 -4.68 118.68 121.53 3k52 s LEU 123 Ca 0.67 -2.25 -0.29 0.00 -0.22 0.00 0.00 54.13 52.04 3k52 s LEU 123 Cb -0.07 -2.18 0.03 0.00 0.50 0.00 0.00 46.19 44.47 3k52 s LEU 123 CO 0.48 -0.70 1.17 -0.63 -1.32 0.00 0.00 176.35 175.35 3k52 s ILE 124 N 0.86 4.11 -0.42 6.68 1.01 -0.69 -4.92 121.20 127.83 3k52 s ILE 124 Ca 0.11 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.90 3k52 s ILE 124 Cb -0.20 -4.64 0.18 0.00 0.01 0.00 0.00 42.46 37.80 3k52 s ILE 124 CO -0.03 -1.14 0.58 0.12 0.00 0.00 0.00 174.94 174.46 3k52 s PHE 125 N 4.72 -1.25 -0.43 3.97 5.99 -1.26 -1.03 117.98 128.70 3k52 s PHE 125 Ca 0.46 -0.27 -0.28 0.00 0.00 0.00 0.00 56.93 56.85 3k52 s PHE 125 Cb -0.07 0.09 -0.02 0.00 0.00 0.00 0.00 43.02 43.02 3k52 s PHE 125 CO 0.29 -1.13 1.79 0.34 -0.00 0.00 0.00 175.22 176.51 3k52 s ASP 126 N 1.49 5.72 0.00 6.13 -1.08 -1.26 -4.85 116.67 122.81 3k52 s ASP 126 Ca 0.20 0.96 0.14 0.00 -0.52 0.00 0.00 52.55 53.32 3k52 s ASP 126 Cb -0.06 -2.53 0.58 0.00 -1.46 0.00 0.00 42.92 39.46 3k52 s ASP 126 CO -0.06 -1.91 1.41 0.35 0.52 0.00 0.00 175.17 175.48 3k52 n THR 127 N 7.33 0.19 -0.10 1.71 -2.24 -1.26 -4.32 114.28 115.59 3k52 n THR 127 Ca 0.22 -0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.70 3k52 n THR 127 Cb 0.49 0.11 -0.01 0.00 -2.10 0.00 0.00 70.33 68.81 3k52 n THR 127 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 3k52 h SER 128 N 1.22 -0.90 -0.79 3.42 0.02 -2.01 -1.52 113.55 112.98 3k52 h SER 128 Ca 0.00 0.17 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 3k52 h SER 128 Cb 0.27 0.43 -0.04 0.00 0.14 0.00 0.00 62.40 63.20 3k52 h SER 128 CO 0.00 -0.29 0.53 0.00 -1.14 0.00 0.00 176.83 175.92 3k52 h ALA 129 N 0.86 1.01 -0.81 3.77 0.00 -2.01 -2.73 119.26 119.33 3k52 h ALA 129 Ca 0.17 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 3k52 h ALA 129 Cb 0.50 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3k52 h ALA 129 CO -0.48 0.42 0.47 0.82 0.00 0.00 0.00 179.25 180.47 3k52 h ILE 130 N 1.07 1.23 -0.37 0.00 2.04 -1.65 -1.68 117.51 118.17 3k52 h ILE 130 Ca 0.29 -0.55 0.00 0.00 1.00 0.00 0.00 64.86 65.60 3k52 h ILE 130 Cb -0.12 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.06 3k52 h ILE 130 CO -0.06 0.25 0.23 0.11 0.00 0.00 0.00 178.15 178.68 3k52 h LYS 131 N 1.12 0.49 0.13 2.37 1.57 -1.01 -1.61 116.57 119.63 3k52 h LYS 131 Ca 0.29 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3k52 h LYS 131 Cb -0.00 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 3k52 h LYS 131 CO -0.05 0.35 -0.17 0.93 -0.57 0.00 0.00 179.45 179.94 3k52 h GLU 132 N 0.49 -0.34 -0.93 3.15 4.39 -1.30 -1.29 114.58 118.74 3k52 h GLU 132 Ca 0.13 0.02 0.18 0.00 0.34 0.00 0.00 59.36 60.04 3k52 h GLU 132 Cb -0.03 0.08 -0.11 0.00 -0.10 0.00 0.00 28.75 28.60 3k52 h GLU 132 CO -0.03 -0.23 0.52 0.52 -1.16 0.00 0.00 179.01 178.63 3k52 h MET 133 N -0.35 0.64 -0.58 2.33 2.86 -1.07 0.29 114.93 119.05 3k52 h MET 133 Ca 0.01 -0.04 -0.08 0.00 -2.06 0.00 0.00 59.70 57.54 3k52 h MET 133 Cb 0.35 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3k52 h MET 133 CO -0.07 0.42 0.06 -0.07 1.06 0.00 0.00 176.91 178.31 3k52 h LEU 134 N 0.66 0.91 -2.51 1.22 3.38 -0.82 -0.98 115.31 117.16 3k52 h LEU 134 Ca 0.54 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 58.31 3k52 h LEU 134 Cb 0.84 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3k52 h LEU 134 CO -0.40 0.94 0.11 0.11 0.09 0.00 0.00 178.44 179.28 3k52 h LYS 135 N 0.89 0.00 -0.01 1.13 1.57 0.72 0.17 116.57 121.04 3k52 h LYS 135 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3k52 h LYS 135 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3k52 h LYS 135 CO 0.02 0.00 -0.30 0.54 -0.57 0.00 0.00 179.45 179.14 3k52 n ARG 136 N -3.45 0.99 -1.82 3.15 5.12 -0.44 -4.93 116.66 115.28 3k52 n ARG 136 Ca -0.01 -0.66 -0.12 0.00 -1.93 0.00 0.00 57.85 55.13 3k52 n ARG 136 Cb 0.19 -1.49 -0.03 0.00 -1.16 0.00 0.00 32.46 29.98 3k52 n ARG 136 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3k52 n ASN 137 N -0.42 -4.04 -4.86 0.55 5.03 0.59 -5.02 115.26 107.09 3k52 n ASN 137 Ca 0.12 0.12 -0.31 0.00 0.87 0.00 0.00 54.58 55.38 3k52 n ASN 137 Cb 0.38 -2.94 -0.01 0.00 -1.02 0.00 0.00 39.78 36.19 3k52 n ASN 137 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3k52 s LEU 138 N -3.03 3.44 -0.49 3.41 1.43 -0.80 -4.85 118.68 117.80 3k52 s LEU 138 Ca 0.00 1.44 -0.04 0.00 -1.03 0.00 0.00 54.13 54.50 3k52 s LEU 138 Cb 0.00 -4.43 0.13 0.00 0.03 0.00 0.00 46.19 41.92 3k52 s LEU 138 CO 0.00 -0.72 0.30 -0.69 0.23 0.00 0.00 176.35 175.47 3k52 s VAL 139 N -2.89 3.56 0.19 -1.59 1.01 0.59 -4.44 120.40 116.83 3k52 s VAL 139 Ca 0.56 -2.30 -0.31 0.00 0.00 0.00 0.00 61.98 59.92 3k52 s VAL 139 Cb -0.10 -3.39 -0.10 0.00 0.00 0.00 0.00 36.38 32.79 3k52 s VAL 139 CO 0.43 -0.76 1.54 -2.84 0.00 0.00 0.00 175.10 173.47 3k52 s PRO 140 N 0.79 4.22 -0.31 2.72 0.02 -1.26 -1.15 135.00 140.03 3k52 s PRO 140 Ca 0.11 2.36 -0.03 0.00 0.02 0.00 0.00 61.00 63.45 3k52 s PRO 140 Cb -0.22 -3.14 0.04 0.00 0.02 0.00 0.00 34.50 31.21 3k52 s PRO 140 CO -0.04 -0.56 0.03 0.08 -0.33 0.00 0.00 177.00 176.18 3k52 s VAL 141 N 0.81 3.24 0.03 3.83 1.01 0.18 -1.42 120.40 128.08 3k52 s VAL 141 Ca 0.67 -1.28 -0.02 0.00 0.00 0.00 0.00 61.98 61.35 3k52 s VAL 141 Cb -0.44 -2.84 -0.04 0.00 0.00 0.00 0.00 36.38 33.06 3k52 s VAL 141 CO 0.35 -0.11 0.21 -0.63 0.00 0.00 0.00 175.10 174.91 3k52 s ILE 142 N 1.30 5.40 0.03 2.22 1.01 0.83 -1.63 121.20 130.35 3k52 s ILE 142 Ca -0.04 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.37 3k52 s ILE 142 Cb -0.20 -3.59 -0.02 0.00 0.01 0.00 0.00 42.46 38.67 3k52 s ILE 142 CO 0.00 0.22 -0.07 -1.38 0.00 0.00 0.00 174.94 173.71 3k52 s HIS 143 N -1.43 0.65 0.53 3.97 -3.43 -1.25 -1.82 115.29 112.50 3k52 s HIS 143 Ca 0.32 -0.38 -0.21 0.00 -0.80 0.00 0.00 55.06 53.99 3k52 s HIS 143 Cb -0.13 -0.39 -0.07 0.00 -1.43 0.00 0.00 32.58 30.55 3k52 s HIS 143 CO 0.24 -0.05 0.95 0.41 -2.00 0.00 0.00 174.74 174.28 3k52 n GLY 144 N 1.89 -0.36 3.67 -1.38 0.00 -0.95 -4.66 105.19 103.42 3k52 n GLY 144 Ca -0.20 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 3k52 n GLY 144 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3k52 s ASP 145 N -1.02 -0.25 0.33 1.61 -1.08 -0.92 -4.73 116.67 110.61 3k52 s ASP 145 Ca 0.70 -0.58 -0.26 0.00 -0.52 0.00 0.00 52.55 51.89 3k52 s ASP 145 Cb -0.47 0.65 -0.10 0.00 -1.46 0.00 0.00 42.92 41.54 3k52 s ASP 145 CO 0.52 -1.19 0.96 -0.51 0.52 0.00 0.00 175.17 175.47 3k52 s ILE 146 N -3.91 4.14 -0.04 4.11 1.10 -1.26 -2.35 121.20 122.98 3k52 s ILE 146 Ca 0.12 1.75 -0.16 0.00 -0.51 0.00 0.00 60.65 61.84 3k52 s ILE 146 Cb -0.03 -3.96 0.03 0.00 0.15 0.00 0.00 42.46 38.65 3k52 s ILE 146 CO 0.03 0.12 0.35 0.68 -2.11 0.00 0.00 174.94 174.01 3k52 s VAL 147 N -1.63 0.04 0.47 4.00 -7.23 -0.67 -3.61 120.40 111.77 3k52 s VAL 147 Ca 0.51 -0.36 -0.24 0.00 -1.81 0.00 0.00 61.98 60.08 3k52 s VAL 147 Cb -0.19 -0.64 -0.07 0.00 0.56 0.00 0.00 36.38 36.04 3k52 s VAL 147 CO 0.24 -0.20 1.31 -0.63 -0.31 0.00 0.00 175.10 175.52 3k52 s ILE 148 N -1.10 2.44 -0.27 -0.62 -1.09 -1.26 -2.14 121.20 117.17 3k52 s ILE 148 Ca -0.11 0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.67 3k52 s ILE 148 Cb -0.04 -3.20 0.08 0.00 -1.58 0.00 0.00 42.46 37.72 3k52 s ILE 148 CO 0.04 0.02 0.02 -0.62 -1.23 0.00 0.00 174.94 173.18 3k52 s ASP 149 N -0.90 3.90 0.00 3.58 -1.08 -0.08 -0.60 116.67 121.49 3k52 s ASP 149 Ca 0.64 -1.41 0.01 0.00 -0.52 0.00 0.00 52.55 51.27 3k52 s ASP 149 Cb -0.38 -1.05 0.07 0.00 -1.46 0.00 0.00 42.92 40.10 3k52 s ASP 149 CO 0.47 -0.32 0.47 -0.90 0.52 0.00 0.00 175.17 175.40 3k52 n ASP 150 N 4.73 0.00 0.00 -0.34 5.68 -1.19 0.25 116.55 125.68 3k52 n ASP 150 Ca -0.06 -0.05 0.00 0.00 -0.50 0.00 0.00 54.79 54.17 3k52 n ASP 150 Cb 0.44 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.42 3k52 n ASP 150 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 3k52 n LYS 151 N -0.90 0.00 0.00 0.11 4.81 -1.26 -4.80 118.16 116.12 3k52 n LYS 151 Ca 0.01 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.57 3k52 n LYS 151 Cb 0.00 -0.60 0.12 0.00 0.02 0.00 0.00 35.03 34.57 3k52 n LYS 151 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k52 n ASN 152 N -2.82 2.32 0.00 3.14 3.02 -0.96 -5.00 115.26 114.96 3k52 n ASN 152 Ca 0.00 -1.67 0.00 0.00 -0.03 0.00 0.00 54.58 52.88 3k52 n ASN 152 Cb 0.47 0.20 0.00 0.00 -0.61 0.00 0.00 39.78 39.84 3k52 n ASN 152 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3k52 n GLY 153 N 1.36 1.86 3.05 7.41 0.00 0.70 -4.86 105.19 114.71 3k52 n GLY 153 Ca 0.12 -0.20 -0.10 0.00 0.00 0.00 0.00 46.02 45.84 3k52 n GLY 153 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3k52 s TYR 154 N 0.00 0.52 -0.19 1.61 2.02 -1.26 -0.90 117.35 119.16 3k52 s TYR 154 Ca 0.00 -0.66 -0.30 0.00 -0.37 0.00 0.00 57.07 55.74 3k52 s TYR 154 Cb 0.00 -0.34 0.14 0.00 -0.40 0.00 0.00 41.96 41.36 3k52 s TYR 154 CO 0.00 -0.18 1.06 0.50 -1.57 0.00 0.00 175.55 175.36 3k52 s ARG 155 N -2.22 0.50 -0.49 -0.62 3.52 -0.91 -4.76 118.95 113.96 3k52 s ARG 155 Ca -0.07 0.15 -0.15 0.00 -0.13 0.00 0.00 55.73 55.54 3k52 s ARG 155 Cb -0.05 0.24 0.10 0.00 -1.56 0.00 0.00 34.95 33.68 3k52 s ARG 155 CO -0.03 -0.15 0.42 0.42 -0.81 0.00 0.00 175.30 175.16 3k52 s ILE 156 N -1.00 5.06 0.28 4.11 1.01 -1.26 -1.67 121.20 127.72 3k52 s ILE 156 Ca 0.00 -1.32 -0.29 0.00 0.00 0.00 0.00 60.65 59.04 3k52 s ILE 156 Cb -0.01 -4.13 -0.10 0.00 0.01 0.00 0.00 42.46 38.23 3k52 s ILE 156 CO -0.00 -0.70 1.28 -0.51 0.00 0.00 0.00 174.94 175.00 3k52 s ILE 157 N 1.58 2.98 0.50 2.92 2.07 -0.99 -4.93 121.20 125.33 3k52 s ILE 157 Ca 0.04 0.92 0.01 0.00 -1.41 0.00 0.00 60.65 60.21 3k52 s ILE 157 Cb -0.27 -3.58 -0.01 0.00 0.13 0.00 0.00 42.46 38.73 3k52 s ILE 157 CO 0.04 0.19 0.01 -0.94 -1.91 0.00 0.00 174.94 172.34 3k52 s SER 158 N -0.27 4.02 0.26 4.50 1.04 -1.26 -2.16 113.70 119.84 3k52 s SER 158 Ca 0.51 -1.66 -0.04 0.00 0.48 0.00 0.00 55.95 55.24 3k52 s SER 158 Cb -0.38 0.52 0.33 0.00 0.10 0.00 0.00 66.02 66.59 3k52 s SER 158 CO 0.46 -0.86 1.86 1.23 0.98 0.00 0.00 173.24 176.92 3k52 h GLY 159 N 1.39 1.13 1.87 7.32 0.00 -1.93 -1.43 103.07 111.42 3k52 h GLY 159 Ca -0.43 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.35 3k52 h GLY 159 CO 0.73 0.52 0.08 -0.55 0.00 0.00 0.00 176.54 177.32 3k52 h ASP 160 N 1.05 0.12 0.26 0.19 3.32 -1.98 0.26 116.42 119.64 3k52 h ASP 160 Ca 0.26 -0.00 -0.25 0.00 0.02 0.00 0.00 57.03 57.05 3k52 h ASP 160 Cb 0.11 -0.03 0.01 0.00 0.22 0.00 0.00 39.33 39.64 3k52 h ASP 160 CO -0.03 0.08 -1.04 0.44 -1.72 0.00 0.00 179.24 176.97 3k52 h ASP 161 N 0.14 0.66 0.01 6.45 3.32 -1.74 -3.37 116.42 121.89 3k52 h ASP 161 Ca 0.04 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.54 3k52 h ASP 161 Cb 0.01 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.35 3k52 h ASP 161 CO -0.01 1.37 -0.00 0.40 -1.72 0.00 0.00 179.24 179.28 3k52 h ILE 162 N 0.26 1.54 0.20 0.35 2.04 -0.16 -3.23 117.51 118.50 3k52 h ILE 162 Ca -0.11 -2.07 -0.00 0.00 1.00 0.00 0.00 64.86 63.68 3k52 h ILE 162 Cb 1.70 2.87 -0.01 0.00 -0.74 0.00 0.00 36.82 40.63 3k52 h ILE 162 CO 0.19 0.51 -0.23 0.58 0.00 0.00 0.00 178.15 179.19 3k52 h VAL 163 N -0.95 0.00 -0.66 1.67 2.07 -0.75 -0.50 116.25 117.12 3k52 h VAL 163 Ca -0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 3k52 h VAL 163 Cb 0.84 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.49 3k52 h VAL 163 CO 0.00 0.00 -0.40 1.55 0.02 0.00 0.00 177.57 178.74 3k52 h PRO 164 N -0.44 -0.16 -0.34 1.57 0.13 -1.76 0.96 132.00 131.96 3k52 h PRO 164 Ca -0.02 0.01 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 3k52 h PRO 164 Cb 0.39 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.49 3k52 h PRO 164 CO -0.05 -0.11 -0.45 -0.92 -0.23 0.00 0.00 178.00 176.25 3k52 h TYR 165 N -0.17 -1.37 -0.71 1.56 3.20 -1.53 -2.09 116.97 115.86 3k52 h TYR 165 Ca 0.22 0.07 0.01 0.00 3.14 0.00 0.00 58.73 62.16 3k52 h TYR 165 Cb 0.56 0.64 -0.04 0.00 1.54 0.00 0.00 36.73 39.44 3k52 h TYR 165 CO -0.72 -0.39 0.47 -0.07 -1.64 0.00 0.00 178.16 175.81 3k52 h LEU 166 N -0.31 0.81 -0.86 2.82 3.38 -0.02 0.23 115.31 121.36 3k52 h LEU 166 Ca 0.06 -0.02 0.16 0.00 0.09 0.00 0.00 57.88 58.17 3k52 h LEU 166 Cb 0.47 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 40.92 3k52 h LEU 166 CO -0.49 0.59 0.43 0.00 0.09 0.00 0.00 178.44 179.06 3k52 h ALA 167 N 1.26 1.31 0.01 1.53 0.00 -0.44 1.02 119.26 123.95 3k52 h ALA 167 Ca 0.26 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.23 3k52 h ALA 167 Cb -0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3k52 h ALA 167 CO -0.06 -0.13 -0.14 -0.97 0.00 0.00 0.00 179.25 177.95 3k52 h ASN 168 N 0.59 0.11 -0.09 0.00 -1.24 -0.68 0.34 115.58 114.60 3k52 h ASN 168 Ca 0.48 -0.84 0.02 0.00 0.71 0.00 0.00 56.30 56.67 3k52 h ASN 168 Cb 0.72 -0.03 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 3k52 h ASN 168 CO -0.39 0.94 0.06 -0.08 -1.29 0.00 0.00 177.43 176.67 3k52 h GLU 169 N -0.71 0.01 -0.10 6.67 4.57 0.06 -2.72 114.58 122.35 3k52 h GLU 169 Ca -0.02 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3k52 h GLU 169 Cb 0.97 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.56 3k52 h GLU 169 CO 0.03 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.14 3k52 n LEU 170 N -4.51 2.06 -3.34 1.64 4.77 0.35 -5.01 117.00 112.95 3k52 n LEU 170 Ca -0.01 -1.32 -0.16 0.00 -0.03 0.00 0.00 56.01 54.48 3k52 n LEU 170 Cb 0.17 -0.06 0.09 0.00 -2.33 0.00 0.00 43.42 41.29 3k52 n LEU 170 CO 0.34 0.45 0.10 1.17 -1.33 0.00 0.00 177.39 178.13 3k52 n LYS 171 N 0.44 -6.22 -1.98 3.23 3.00 -0.07 -4.90 118.16 111.66 3k52 n LYS 171 Ca 0.06 0.82 -0.41 0.00 -0.00 0.00 0.00 58.31 58.78 3k52 n LYS 171 Cb 0.28 -5.76 -0.02 0.00 0.00 0.00 0.00 35.03 29.53 3k52 n LYS 171 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k52 s ALA 172 N -3.35 3.65 -0.28 3.14 0.00 0.99 -4.87 121.76 121.03 3k52 s ALA 172 Ca 0.02 1.36 0.19 0.00 0.00 0.00 0.00 51.96 53.54 3k52 s ALA 172 Cb -0.00 -3.57 0.23 0.00 0.00 0.00 0.00 23.12 19.77 3k52 s ALA 172 CO 0.71 -0.78 1.54 -0.44 0.00 0.00 0.00 175.76 176.79 3k52 h ASP 173 N 5.10 0.00 -2.64 0.00 5.19 -0.76 -3.46 116.42 119.85 3k52 h ASP 173 Ca -0.46 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 55.99 3k52 h ASP 173 Cb 1.22 0.00 -0.21 0.00 0.18 0.00 0.00 39.33 40.52 3k52 h ASP 173 CO 0.79 0.25 -0.03 -0.22 -3.12 0.00 0.00 179.24 176.90 3k52 s LEU 174 N -6.34 -1.02 -0.06 1.55 2.96 -0.93 -5.01 118.68 109.83 3k52 s LEU 174 Ca 0.05 1.53 0.05 0.00 -0.22 0.00 0.00 54.13 55.55 3k52 s LEU 174 Cb 0.06 2.36 -0.00 0.00 0.50 0.00 0.00 46.19 49.10 3k52 s LEU 174 CO 0.70 -0.23 -0.22 0.27 -1.32 0.00 0.00 176.35 175.56 3k52 s ILE 175 N 2.09 1.80 -0.04 6.68 -5.25 -1.25 -0.75 121.20 124.48 3k52 s ILE 175 Ca -0.09 -0.91 0.04 0.00 -0.99 0.00 0.00 60.65 58.71 3k52 s ILE 175 Cb -0.07 -1.54 -0.00 0.00 2.95 0.00 0.00 42.46 43.79 3k52 s ILE 175 CO -0.20 0.51 -0.16 -0.76 -1.79 0.00 0.00 174.94 172.54 3k52 s LEU 176 N 0.06 1.91 -0.35 0.37 1.43 0.99 -1.88 118.68 121.21 3k52 s LEU 176 Ca -0.08 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3k52 s LEU 176 Cb -0.14 -0.89 0.09 0.00 0.03 0.00 0.00 46.19 45.28 3k52 s LEU 176 CO 0.04 0.15 0.08 -0.31 0.23 0.00 0.00 176.35 176.54 3k52 s TYR 177 N -0.00 3.55 -0.26 0.29 2.02 0.18 -0.18 117.35 122.94 3k52 s TYR 177 Ca -0.02 -2.48 -0.26 0.00 -0.37 0.00 0.00 57.07 53.93 3k52 s TYR 177 Cb -0.10 -2.76 0.00 0.00 -0.40 0.00 0.00 41.96 38.70 3k52 s TYR 177 CO 0.01 -0.92 0.92 0.00 -1.57 0.00 0.00 175.55 174.00 3k52 s ALA 178 N 1.08 3.62 0.23 3.71 0.00 0.08 -2.13 121.76 128.36 3k52 s ALA 178 Ca 0.05 -0.07 0.03 0.00 0.00 0.00 0.00 51.96 51.96 3k52 s ALA 178 Cb -0.21 -3.42 -0.01 0.00 0.00 0.00 0.00 23.12 19.48 3k52 s ALA 178 CO -0.05 -1.09 0.09 0.25 0.00 0.00 0.00 175.76 174.97 3k52 n THR 179 N 5.41 0.00 -0.13 0.00 -2.24 -0.33 -1.63 114.28 115.36 3k52 n THR 179 Ca 0.08 -1.39 0.11 0.00 -2.27 0.00 0.00 64.05 60.58 3k52 n THR 179 Cb 0.47 0.52 0.27 0.00 -2.10 0.00 0.00 70.33 69.50 3k52 n THR 179 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 3k52 n ASP 180 N -1.80 3.72 -4.40 3.42 5.68 -1.26 0.25 116.55 122.16 3k52 n ASP 180 Ca -0.03 -1.99 -0.27 0.00 -0.50 0.00 0.00 54.79 52.00 3k52 n ASP 180 Cb 0.36 -0.39 -0.12 0.00 -1.14 0.00 0.00 41.12 39.82 3k52 n ASP 180 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3k52 s VAL 181 N -1.16 2.27 -1.65 2.12 -7.23 -1.26 -4.92 120.40 108.57 3k52 s VAL 181 Ca 0.44 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.71 3k52 s VAL 181 Cb 0.24 -2.04 0.00 0.00 0.56 0.00 0.00 36.38 35.14 3k52 s VAL 181 CO 0.32 -0.04 0.28 0.47 -0.31 0.00 0.00 175.10 175.82 3k52 n ASP 182 N 0.56 0.12 0.00 4.85 8.00 -1.26 -2.78 116.55 126.04 3k52 n ASP 182 Ca -0.15 -0.67 0.00 0.00 0.71 0.00 0.00 54.79 54.67 3k52 n ASP 182 Cb 0.55 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3k52 n ASP 182 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3k52 n GLY 183 N 0.01 0.83 3.64 0.44 0.00 -1.25 -4.20 105.19 104.67 3k52 n GLY 183 Ca 0.00 -2.01 -0.43 0.00 0.00 0.00 0.00 46.02 43.58 3k52 n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3k52 s VAL 184 N -1.90 4.23 -0.23 1.61 1.01 -1.26 -4.91 120.40 118.94 3k52 s VAL 184 Ca 0.00 1.43 -0.22 0.00 0.00 0.00 0.00 61.98 63.19 3k52 s VAL 184 Cb 0.00 -4.11 -0.02 0.00 0.00 0.00 0.00 36.38 32.25 3k52 s VAL 184 CO 0.00 -0.33 0.68 -0.76 0.00 0.00 0.00 175.10 174.69 3k52 s LEU 185 N 3.98 4.10 -0.18 3.92 1.43 -1.26 -2.28 118.68 128.39 3k52 s LEU 185 Ca 0.55 0.84 -0.00 0.00 -1.03 0.00 0.00 54.13 54.48 3k52 s LEU 185 Cb -0.18 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.09 3k52 s LEU 185 CO 0.19 -0.36 -0.14 -0.63 0.23 0.00 0.00 176.35 175.63 3k52 s ILE 186 N 2.34 2.63 -1.81 -0.59 -1.09 0.58 -4.54 121.20 118.72 3k52 s ILE 186 Ca 0.29 -0.77 0.00 0.00 -2.23 0.00 0.00 60.65 57.95 3k52 s ILE 186 Cb -0.16 -2.13 0.00 0.00 -1.58 0.00 0.00 42.46 38.60 3k52 s ILE 186 CO 0.09 0.50 0.00 0.47 -1.23 0.00 0.00 174.94 174.77 3k52 n ASP 187 N 4.38 -4.71 0.00 3.58 8.00 -1.26 -0.44 116.55 126.09 3k52 n ASP 187 Ca -0.19 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.68 3k52 n ASP 187 Cb 0.51 -4.19 0.00 0.00 -0.02 0.00 0.00 41.12 37.42 3k52 n ASP 187 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3k52 n ASN 188 N -1.15 -1.52 -3.95 -2.24 4.05 -1.26 -5.07 115.26 104.12 3k52 n ASN 188 Ca -0.18 0.00 -0.14 0.00 0.45 0.00 0.00 54.58 54.71 3k52 n ASN 188 Cb 0.59 -0.32 -0.14 0.00 1.23 0.00 0.00 39.78 41.15 3k52 n ASN 188 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 3k52 s LYS 189 N -1.75 0.33 -0.41 1.20 2.20 0.41 -5.04 119.74 116.68 3k52 s LYS 189 Ca 0.00 -0.23 -0.28 0.00 -0.36 0.00 0.00 55.97 55.10 3k52 s LYS 189 Cb 0.00 -0.28 0.02 0.00 -1.51 0.00 0.00 37.83 36.06 3k52 s LYS 189 CO 0.00 0.07 1.07 -1.25 -0.36 0.00 0.00 175.35 174.89 3k52 s PRO 190 N -0.32 3.84 0.37 4.03 0.04 -1.25 0.22 135.00 141.92 3k52 s PRO 190 Ca -0.01 0.70 -0.28 0.00 0.04 0.00 0.00 61.00 61.46 3k52 s PRO 190 Cb -0.03 -3.84 -0.10 0.00 0.04 0.00 0.00 34.50 30.57 3k52 s PRO 190 CO -0.00 -1.16 1.34 0.96 0.04 0.00 0.00 177.00 178.18 3k52 s ILE 191 N 4.01 2.54 0.07 0.56 -4.36 -0.97 -4.91 121.20 118.14 3k52 s ILE 191 Ca 0.45 0.52 0.23 0.00 -0.26 0.00 0.00 60.65 61.59 3k52 s ILE 191 Cb -0.10 -3.32 0.22 0.00 1.25 0.00 0.00 42.46 40.51 3k52 s ILE 191 CO 0.24 0.11 1.77 0.50 0.24 0.00 0.00 174.94 177.80 3k52 h LYS 192 N 3.04 0.00 -3.55 0.37 3.64 -1.93 -3.35 116.57 114.78 3k52 h LYS 192 Ca -0.50 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 58.83 3k52 h LYS 192 Cb 1.24 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.94 3k52 h LYS 192 CO 0.64 0.24 -0.13 0.50 -2.27 0.00 0.00 179.45 178.43 3k52 s ARG 193 N -3.54 1.25 -0.22 1.90 3.52 -1.26 -2.12 118.95 118.48 3k52 s ARG 193 Ca 0.01 -0.97 -0.05 0.00 -0.13 0.00 0.00 55.73 54.59 3k52 s ARG 193 Cb 0.10 0.45 0.11 0.00 -1.56 0.00 0.00 34.95 34.05 3k52 s ARG 193 CO 0.65 -0.50 0.41 0.42 -0.81 0.00 0.00 175.30 175.47 3k52 s ILE 194 N -3.90 -0.65 0.00 4.11 1.01 0.17 -4.80 121.20 117.13 3k52 s ILE 194 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.84 3k52 s ILE 194 Cb 0.01 -0.73 0.00 0.00 0.01 0.00 0.00 42.46 41.75 3k52 s ILE 194 CO -0.03 -0.00 0.00 -0.90 0.00 0.00 0.00 174.94 174.01 3k52 n ASP 195 N 5.38 0.00 -0.03 3.58 5.68 -1.26 -1.22 116.55 128.68 3k52 n ASP 195 Ca -0.06 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.23 3k52 n ASP 195 Cb 0.50 0.00 -0.00 0.00 -1.14 0.00 0.00 41.12 40.48 3k52 n ASP 195 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3k52 n LYS 196 N 0.00 2.74 0.00 0.11 2.85 -1.26 -4.57 118.16 118.03 3k52 n LYS 196 Ca 0.00 -0.31 0.00 0.00 -1.05 0.00 0.00 58.31 56.95 3k52 n LYS 196 Cb 0.00 -0.81 0.00 0.00 -0.65 0.00 0.00 35.03 33.57 3k52 n LYS 196 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3k52 n ASN 197 N -0.45 0.00 0.00 -5.58 3.02 -1.26 -4.52 115.26 106.47 3k52 n ASN 197 Ca 0.01 0.14 0.07 0.00 -0.03 0.00 0.00 54.58 54.77 3k52 n ASN 197 Cb 0.03 -0.36 0.36 0.00 -0.61 0.00 0.00 39.78 39.20 3k52 n ASN 197 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3k52 n ASN 198 N -1.98 0.00 0.18 6.41 6.94 -1.26 -3.62 115.26 121.94 3k52 n ASN 198 Ca 0.00 0.27 -0.14 0.00 -0.02 0.00 0.00 54.58 54.69 3k52 n ASN 198 Cb 0.00 -0.39 -0.07 0.00 -2.36 0.00 0.00 39.78 36.96 3k52 n ASN 198 CO 0.00 0.00 0.00 -0.29 -1.03 0.00 0.00 177.26 175.94 3k52 h ILE 199 N 0.00 0.51 -0.79 1.53 2.10 -1.80 -2.28 117.51 116.78 3k52 h ILE 199 Ca 0.00 0.00 0.15 0.00 1.08 0.00 0.00 64.86 66.09 3k52 h ILE 199 Cb 0.20 0.51 -0.15 0.00 -1.09 0.00 0.00 36.82 36.30 3k52 h ILE 199 CO 0.00 0.00 -0.24 0.22 -1.08 0.00 0.00 178.15 177.05 3k52 h TYR 200 N -0.52 -0.57 0.00 2.19 3.20 -1.83 2.63 116.97 122.07 3k52 h TYR 200 Ca -0.02 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3k52 h TYR 200 Cb 0.46 0.37 0.00 0.00 1.54 0.00 0.00 36.73 39.10 3k52 h TYR 200 CO -0.14 -0.36 0.00 1.63 -1.64 0.00 0.00 178.16 177.66 3k52 n LYS 201 N -5.51 0.04 -0.03 1.82 5.02 -1.10 -2.90 118.16 115.50 3k52 n LYS 201 Ca 0.10 0.33 -0.21 0.00 -2.02 0.00 0.00 58.31 56.52 3k52 n LYS 201 Cb 0.40 -1.58 -0.13 0.00 -0.02 0.00 0.00 35.03 33.70 3k52 n LYS 201 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3k52 n ILE 202 N -1.65 1.71 -0.19 -0.18 5.41 0.85 -3.15 119.36 122.17 3k52 n ILE 202 Ca 0.03 -0.63 -0.02 0.00 1.00 0.00 0.00 62.75 63.13 3k52 n ILE 202 Cb 0.15 -1.66 0.20 0.00 -0.71 0.00 0.00 39.64 37.62 3k52 n ILE 202 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3k52 h LEU 203 N 0.04 0.86 -0.10 1.39 -0.00 -0.53 -1.49 115.31 115.48 3k52 h LEU 203 Ca -0.46 -0.09 -0.02 0.00 -0.00 0.00 0.00 57.88 57.31 3k52 h LEU 203 Cb 1.99 -0.22 -0.00 0.00 -0.00 0.00 0.00 40.66 42.43 3k52 h LEU 203 CO 0.04 0.73 -0.00 -1.13 -0.00 0.00 0.00 178.44 178.08 3k52 h ASN 204 N 0.94 0.18 -0.90 -0.43 -0.73 -1.69 -0.23 115.58 112.72 3k52 h ASN 204 Ca 0.23 -0.32 0.11 0.00 1.87 0.00 0.00 56.30 58.19 3k52 h ASN 204 Cb 0.10 -0.05 -0.07 0.00 0.27 0.00 0.00 38.32 38.58 3k52 h ASN 204 CO -0.03 0.46 0.58 0.22 -0.37 0.00 0.00 177.43 178.29 3k52 h TYR 205 N -0.10 0.95 0.00 0.67 5.03 -1.44 -1.28 116.97 120.79 3k52 h TYR 205 Ca 0.03 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.36 3k52 h TYR 205 Cb 0.37 -0.30 0.00 0.00 1.55 0.00 0.00 36.73 38.34 3k52 h TYR 205 CO 0.04 0.41 -0.57 -0.07 -1.32 0.00 0.00 178.16 176.65 3k52 h LEU 206 N 0.85 0.00 0.01 2.82 3.38 -1.21 -3.51 115.31 117.65 3k52 h LEU 206 Ca 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.38 3k52 h LEU 206 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3k52 h LEU 206 CO -0.19 0.01 0.00 -1.54 0.09 0.00 0.00 178.44 176.81 3k52 n SER 207 N -2.75 0.00 -2.60 -0.43 3.41 -0.10 -4.98 113.62 106.17 3k52 n SER 207 Ca 0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.26 3k52 n SER 207 Cb 0.53 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.54 3k52 n SER 207 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3k52 n GLY 217 N -0.01 5.67 0.36 5.00 0.00 -1.26 -5.10 105.19 109.86 3k52 n GLY 217 Ca 0.00 -2.37 0.14 0.00 0.00 0.00 0.00 46.02 43.79 3k52 n GLY 217 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3k52 h MET 218 N 2.46 0.35 0.64 1.61 1.85 -2.00 0.69 114.93 120.52 3k52 h MET 218 Ca 0.59 -0.02 -0.03 0.00 -0.61 0.00 0.00 59.70 59.62 3k52 h MET 218 Cb 0.45 -0.08 0.01 0.00 0.43 0.00 0.00 31.60 32.41 3k52 h MET 218 CO 1.51 0.23 -0.31 1.57 -0.40 0.00 0.00 176.91 179.51 3k52 h LYS 219 N 0.36 -0.83 -0.81 0.39 5.09 -1.98 -0.85 116.57 117.94 3k52 h LYS 219 Ca 0.30 0.06 0.18 0.00 0.09 0.00 0.00 60.65 61.28 3k52 h LYS 219 Cb 0.68 0.19 -0.15 0.00 0.10 0.00 0.00 32.23 33.05 3k52 h LYS 219 CO -0.08 -0.55 -0.07 -0.92 -2.09 0.00 0.00 179.45 175.74 3k52 h TYR 220 N -1.14 -0.20 0.00 0.07 5.03 -1.66 0.30 116.97 119.37 3k52 h TYR 220 Ca -0.09 0.06 0.02 0.00 2.58 0.00 0.00 58.73 61.31 3k52 h TYR 220 Cb 0.66 0.22 -0.03 0.00 1.55 0.00 0.00 36.73 39.13 3k52 h TYR 220 CO 0.02 -0.31 -0.13 -0.22 -1.32 0.00 0.00 178.16 176.20 3k52 h LYS 221 N 0.05 -0.21 -0.78 1.82 3.64 0.31 0.80 116.57 122.21 3k52 h LYS 221 Ca 0.43 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.84 3k52 h LYS 221 Cb 0.75 0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 32.57 3k52 h LYS 221 CO -0.77 -0.14 0.52 0.82 -2.27 0.00 0.00 179.45 177.61 3k52 h ILE 222 N -0.21 1.19 0.06 2.00 2.04 0.93 -2.57 117.51 120.95 3k52 h ILE 222 Ca 0.05 -0.36 -0.28 0.00 1.00 0.00 0.00 64.86 65.27 3k52 h ILE 222 Cb 0.27 0.06 0.02 0.00 -0.74 0.00 0.00 36.82 36.43 3k52 h ILE 222 CO -0.13 0.19 -1.14 -0.33 0.00 0.00 0.00 178.15 176.75 3k52 h GLU 223 N 1.04 0.59 -0.55 2.37 5.08 -0.41 -3.01 114.58 119.70 3k52 h GLU 223 Ca 0.29 -0.72 -0.01 0.00 -1.00 0.00 0.00 59.36 57.92 3k52 h GLU 223 Cb -0.10 0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.35 3k52 h GLU 223 CO -0.07 1.31 0.32 0.52 -1.00 0.00 0.00 179.01 180.09 3k52 h MET 224 N 0.29 0.74 0.07 2.33 2.86 -0.59 -0.21 114.93 120.43 3k52 h MET 224 Ca -0.15 -0.07 -0.26 0.00 -2.06 0.00 0.00 59.70 57.16 3k52 h MET 224 Cb 1.80 -0.16 0.01 0.00 0.06 0.00 0.00 31.60 33.31 3k52 h MET 224 CO 0.21 0.53 -1.12 -0.84 1.06 0.00 0.00 176.91 176.76 3k52 h ILE 225 N 0.75 1.38 -0.34 -1.22 -0.00 -1.52 -3.28 117.51 113.28 3k52 h ILE 225 Ca 0.20 -2.59 -0.16 0.00 -0.00 0.00 0.00 64.86 62.30 3k52 h ILE 225 Cb -0.01 2.64 -0.00 0.00 -0.00 0.00 0.00 36.82 39.45 3k52 h ILE 225 CO -0.04 0.77 -0.42 0.08 -0.00 0.00 0.00 178.15 178.55 3k52 h ARG 226 N 0.21 0.90 0.00 0.16 0.11 -1.35 -1.37 114.38 113.03 3k52 h ARG 226 Ca -0.13 -0.50 0.00 0.00 0.10 0.00 0.00 59.98 59.44 3k52 h ARG 226 Cb 1.79 0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.90 3k52 h ARG 226 CO 0.20 1.15 0.00 1.17 0.10 0.00 0.00 179.97 182.59 3k52 n LYS 227 N -4.07 0.00 -0.67 0.08 4.81 -0.11 -0.65 118.16 117.55 3k52 n LYS 227 Ca -0.03 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.43 3k52 n LYS 227 Cb 0.56 -1.42 0.03 0.00 0.02 0.00 0.00 35.03 34.23 3k52 n LYS 227 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3k52 n ASN 228 N -0.83 0.60 -1.41 3.14 5.03 -0.95 -4.97 115.26 115.86 3k52 n ASN 228 Ca 0.00 -2.23 -0.06 0.00 0.87 0.00 0.00 54.58 53.16 3k52 n ASN 228 Cb 0.00 -0.27 -0.02 0.00 -1.02 0.00 0.00 39.78 38.47 3k52 n ASN 228 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.26 176.60 3k52 n LYS 229 N -0.12 -1.40 0.00 3.52 3.00 0.18 -4.88 118.16 118.46 3k52 n LYS 229 Ca 0.04 0.35 0.00 0.00 -0.00 0.00 0.00 58.31 58.71 3k52 n LYS 229 Cb 0.79 -4.55 0.00 0.00 0.00 0.00 0.00 35.03 31.27 3k52 n LYS 229 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3k52 n ARG 231 N 0.00 0.00 -4.14 0.00 0.63 -1.25 -0.21 116.66 111.69 3k52 n ARG 231 Ca 0.00 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.82 3k52 n ARG 231 Cb 0.00 0.00 -0.09 0.00 0.45 0.00 0.00 32.46 32.82 3k52 n ARG 231 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 3k52 s GLY 232 N 0.00 1.10 -0.16 5.14 0.00 -0.26 -3.85 107.32 109.30 3k52 s GLY 232 Ca 0.00 -1.46 -0.00 0.00 0.00 0.00 0.00 44.72 43.26 3k52 s GLY 232 CO 0.00 -1.26 -0.14 -1.36 0.00 0.00 0.00 173.10 170.34 3k52 s PHE 233 N -4.09 2.80 -0.35 1.90 0.08 -0.79 -1.02 117.98 116.51 3k52 s PHE 233 Ca 0.30 -0.97 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 3k52 s PHE 233 Cb 0.06 -1.90 0.01 0.00 -0.57 0.00 0.00 43.02 40.63 3k52 s PHE 233 CO 0.07 -0.44 0.20 0.08 -0.10 0.00 0.00 175.22 175.03 3k52 s VAL 234 N 0.79 4.66 0.24 -0.44 1.01 0.50 -0.64 120.40 126.52 3k52 s VAL 234 Ca -0.05 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.28 3k52 s VAL 234 Cb -0.15 -3.52 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 3k52 s VAL 234 CO 0.00 -0.13 0.12 2.22 0.00 0.00 0.00 175.10 177.31 3k52 n PHE 235 N 5.01 -0.12 -3.43 5.22 1.16 -0.90 -0.50 117.46 123.90 3k52 n PHE 235 Ca -0.12 -1.69 -0.38 0.00 -1.87 0.00 0.00 57.45 53.38 3k52 n PHE 235 Cb 0.47 0.06 -0.09 0.00 -1.61 0.00 0.00 39.48 38.32 3k52 n PHE 235 CO 0.00 0.00 0.00 1.21 -1.87 0.00 0.00 176.76 176.10 3k52 s ASN 236 N -2.54 6.27 0.15 5.98 3.84 -1.12 -1.19 114.94 126.33 3k52 s ASN 236 Ca 0.17 0.31 0.24 0.00 0.21 0.00 0.00 52.86 53.79 3k52 s ASN 236 Cb 0.01 -2.20 0.40 0.00 -0.55 0.00 0.00 41.25 38.91 3k52 s ASN 236 CO 0.12 -0.12 1.39 1.23 -2.79 0.00 0.00 177.10 176.93 3k52 h GLY 237 N 8.21 0.00 1.15 1.21 0.00 0.31 -3.32 103.07 110.63 3k52 h GLY 237 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 3k52 h GLY 237 CO 0.66 0.00 -0.09 0.70 0.00 0.00 0.00 176.54 177.81 3k52 n ASN 238 N -2.19 0.32 -4.47 0.19 3.02 -1.26 -4.73 115.26 106.13 3k52 n ASN 238 Ca 0.03 -0.39 -0.43 0.00 -0.03 0.00 0.00 54.58 53.76 3k52 n ASN 238 Cb 0.45 -0.14 -0.07 0.00 -0.61 0.00 0.00 39.78 39.41 3k52 n ASN 238 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 3k52 s LYS 239 N -2.55 3.17 -0.48 3.52 2.20 -1.25 -4.99 119.74 119.37 3k52 s LYS 239 Ca 0.27 -0.71 -0.46 0.00 -0.36 0.00 0.00 55.97 54.72 3k52 s LYS 239 Cb 0.20 -4.03 -0.20 0.00 -1.51 0.00 0.00 37.83 32.29 3k52 s LYS 239 CO 0.48 -1.10 1.56 0.00 -0.36 0.00 0.00 175.35 175.93 3k52 n ALA 240 N 6.12 -1.42 0.00 3.13 0.00 -1.26 -0.86 120.51 126.23 3k52 n ALA 240 Ca -0.05 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3k52 n ALA 240 Cb 0.46 -1.88 0.00 0.00 0.00 0.00 0.00 19.45 18.03 3k52 n ALA 240 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3k52 n ASN 241 N 3.85 0.00 -0.03 0.00 3.02 -1.26 -4.94 115.26 115.90 3k52 n ASN 241 Ca 0.30 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.76 3k52 n ASN 241 Cb -0.05 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.08 3k52 n ASN 241 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 3k52 h ASN 242 N 0.00 0.00 -0.47 6.41 -0.26 -1.29 0.33 115.58 120.31 3k52 h ASN 242 Ca 0.00 0.03 0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3k52 h ASN 242 Cb 0.00 0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 37.27 3k52 h ASN 242 CO 0.00 0.03 0.30 0.40 -1.06 0.00 0.00 177.43 177.10 3k52 h ILE 243 N 0.10 1.09 -0.58 2.81 2.04 -1.84 1.20 117.51 122.32 3k52 h ILE 243 Ca 0.08 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.73 3k52 h ILE 243 Cb 0.07 0.43 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 3k52 h ILE 243 CO -0.11 0.11 0.34 0.22 0.00 0.00 0.00 178.15 178.72 3k52 h TYR 244 N 0.60 0.78 0.03 1.37 3.20 -1.70 -1.59 116.97 119.67 3k52 h TYR 244 Ca 0.18 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.04 3k52 h TYR 244 Cb -0.03 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 37.98 3k52 h TYR 244 CO -0.05 0.54 -0.02 0.87 -1.64 0.00 0.00 178.16 177.86 3k52 h LYS 245 N 0.79 -0.05 -0.79 1.82 1.57 0.18 -2.48 116.57 117.62 3k52 h LYS 245 Ca 0.21 0.00 0.18 0.00 -1.87 0.00 0.00 60.65 59.17 3k52 h LYS 245 Cb -0.00 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.20 3k52 h LYS 245 CO -0.04 0.26 0.22 0.00 -0.57 0.00 0.00 179.45 179.32 3k52 h ALA 246 N 0.60 1.08 -0.33 3.86 0.00 0.16 -0.76 119.26 123.86 3k52 h ALA 246 Ca -0.00 0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.91 3k52 h ALA 246 Cb 0.33 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 3k52 h ALA 246 CO 0.01 -0.36 -0.46 -0.07 0.00 0.00 0.00 179.25 178.37 3k52 h LEU 247 N 0.28 0.98 -1.22 0.00 3.38 -1.27 -3.24 115.31 114.21 3k52 h LEU 247 Ca 0.46 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.86 3k52 h LEU 247 Cb 0.83 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3k52 h LEU 247 CO -0.54 1.29 -0.22 -0.07 0.09 0.00 0.00 178.44 178.98 3k52 h LEU 248 N 0.70 0.26 0.00 1.67 4.07 -0.69 -3.46 115.31 117.86 3k52 h LEU 248 Ca 0.04 -0.07 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3k52 h LEU 248 Cb 1.06 -0.07 0.00 0.00 1.08 0.00 0.00 40.66 42.73 3k52 h LEU 248 CO 0.11 0.49 0.00 0.61 -1.08 0.00 0.00 178.44 178.57 3k52 n GLY 249 N -0.63 -0.05 0.00 0.83 0.00 -0.72 -5.11 105.19 99.51 3k52 n GLY 249 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3k52 n GLY 249 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3k52 n GLU 250 N 0.00 0.00 -1.96 1.61 2.13 -1.06 -4.95 120.64 116.41 3k52 n GLU 250 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 3k52 n GLU 250 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 3k52 n GLU 250 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 3k52 n VAL 251 N -0.55 0.00 -2.21 6.31 3.14 -1.26 -4.64 118.33 119.12 3k52 n VAL 251 Ca 0.00 0.00 -0.38 0.00 -2.96 0.00 0.00 64.34 61.00 3k52 n VAL 251 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 33.84 32.77 3k52 n VAL 251 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 3k52 s GLU 252 N -1.94 3.92 0.00 1.45 0.41 -1.26 -4.96 118.70 116.32 3k52 s GLU 252 Ca 0.00 1.91 0.00 0.00 -0.41 0.00 0.00 54.97 56.47 3k52 s GLU 252 Cb 0.00 -2.61 0.00 0.00 -1.78 0.00 0.00 34.13 29.74 3k52 s GLU 252 CO 0.00 -0.45 0.00 0.41 -0.49 0.00 0.00 175.26 174.73 3k52 n GLY 253 N 0.60 2.08 3.75 -1.39 0.00 -1.26 -4.60 105.19 104.37 3k52 n GLY 253 Ca 0.05 -1.27 -0.40 0.00 0.00 0.00 0.00 46.02 44.40 3k52 n GLY 253 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k52 s THR 254 N -1.98 4.66 -0.12 2.61 2.01 0.35 -4.75 115.64 118.43 3k52 s THR 254 Ca 0.00 1.70 -0.06 0.00 0.31 0.00 0.00 61.69 63.64 3k52 s THR 254 Cb 0.00 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 3k52 s THR 254 CO 0.00 0.37 0.10 -0.70 -0.69 0.00 0.00 174.62 173.70 3k52 s GLU 255 N -0.15 3.39 -0.23 4.92 2.12 -0.90 -0.37 118.70 127.48 3k52 s GLU 255 Ca 0.39 -0.21 -0.01 0.00 0.36 0.00 0.00 54.97 55.50 3k52 s GLU 255 Cb -0.21 -3.10 0.07 0.00 0.26 0.00 0.00 34.13 31.14 3k52 s GLU 255 CO 0.24 0.71 0.00 0.42 -0.54 0.00 0.00 175.26 176.10 3k52 s ILE 256 N -0.86 1.06 -0.23 -3.70 1.01 -0.19 0.42 121.20 118.70 3k52 s ILE 256 Ca 0.14 -0.99 -0.02 0.00 0.00 0.00 0.00 60.65 59.78 3k52 s ILE 256 Cb -0.12 -1.49 0.02 0.00 0.01 0.00 0.00 42.46 40.88 3k52 s ILE 256 CO 0.03 -0.22 -0.08 -0.62 0.00 0.00 0.00 174.94 174.05 3k52 s ASP 257 N 1.60 4.10 0.00 3.58 3.68 -0.36 -1.10 116.67 128.17 3k52 s ASP 257 Ca -0.02 -0.75 0.00 0.00 2.13 0.00 0.00 52.55 53.92 3k52 s ASP 257 Cb -0.18 -1.64 0.00 0.00 -1.45 0.00 0.00 42.92 39.65 3k52 s ASP 257 CO -0.09 -0.08 0.04 0.49 0.13 0.00 0.00 175.17 175.65