#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1g s ASN 37 N 0.00 -0.60 -0.23 7.83 4.22 -1.26 -5.14 114.94 119.76 2k1g s ASN 37 Ca 0.00 1.05 -0.29 0.00 -2.14 0.00 0.00 52.86 51.48 2k1g s ASN 37 Cb 0.00 0.98 -0.00 0.00 1.28 0.00 0.00 41.25 43.50 2k1g s ASN 37 CO 0.00 -0.20 1.23 -0.69 -2.04 0.00 0.00 177.10 175.40 2k1g s VAL 38 N 1.07 4.31 -0.26 3.54 1.01 -1.26 -5.02 120.40 123.80 2k1g s VAL 38 Ca -0.06 1.55 -0.12 0.00 0.00 0.00 0.00 61.98 63.35 2k1g s VAL 38 Cb -0.06 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.14 2k1g s VAL 38 CO -0.10 -0.27 0.21 -0.62 0.00 0.00 0.00 175.10 174.32 2k1g s ASP 39 N 2.09 6.11 0.13 3.32 -1.08 -1.26 -5.01 116.67 120.96 2k1g s ASP 39 Ca 0.53 0.11 -0.30 0.00 -0.52 0.00 0.00 52.55 52.37 2k1g s ASP 39 Cb -0.18 -2.13 -0.07 0.00 -1.46 0.00 0.00 42.92 39.07 2k1g s ASP 39 CO 0.16 -0.02 1.58 0.58 0.52 0.00 0.00 175.17 177.99 2k1g h VAL 40 N 5.21 0.14 -0.58 1.11 2.07 -1.97 -1.31 116.25 120.92 2k1g h VAL 40 Ca -0.36 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.17 2k1g h VAL 40 Cb 1.18 0.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2k1g h VAL 40 CO 0.61 0.00 0.38 0.50 0.02 0.00 0.00 177.57 179.08 2k1g h LYS 41 N -0.54 0.77 -0.41 1.57 3.64 -1.93 -2.42 116.57 117.25 2k1g h LYS 41 Ca 0.06 -0.05 0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2k1g h LYS 41 Cb 0.64 -0.17 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 2k1g h LYS 41 CO -0.36 0.52 0.09 1.03 -2.27 0.00 0.00 179.45 178.47 2k1g h SER 42 N 0.79 0.03 -0.24 4.20 0.87 -1.89 0.45 113.55 117.76 2k1g h SER 42 Ca 0.21 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.84 2k1g h SER 42 Cb -0.07 0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2k1g h SER 42 CO -0.04 0.05 0.16 0.03 -0.53 0.00 0.00 176.83 176.49 2k1g h ARG 43 N 0.22 0.31 -0.47 2.24 2.47 -0.99 -0.77 114.38 117.39 2k1g h ARG 43 Ca 0.20 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2k1g h ARG 43 Cb 0.23 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.46 2k1g h ARG 43 CO -0.25 0.20 0.25 0.82 0.56 0.00 0.00 179.97 181.56 2k1g h ILE 44 N 0.32 1.17 0.00 2.04 2.04 -1.08 -2.33 117.51 119.67 2k1g h ILE 44 Ca 0.09 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.48 2k1g h ILE 44 Cb -0.03 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 2k1g h ILE 44 CO -0.02 0.18 -0.19 0.24 0.00 0.00 0.00 178.15 178.36 2k1g h MET 45 N 0.61 0.00 -0.19 2.37 2.86 -0.72 -1.31 114.93 118.56 2k1g h MET 45 Ca 0.16 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.79 2k1g h MET 45 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2k1g h MET 45 CO -0.03 0.19 0.08 0.22 1.06 0.00 0.00 176.91 178.44 2k1g h ASP 46 N 0.00 0.25 -0.17 1.22 3.58 -0.60 -2.96 116.42 117.74 2k1g h ASP 46 Ca -0.00 -0.14 -0.08 0.00 0.42 0.00 0.00 57.03 57.23 2k1g h ASP 46 Cb 0.35 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.32 2k1g h ASP 46 CO 0.02 0.32 -0.15 -0.61 -2.88 0.00 0.00 179.24 175.95 2k1g h GLN 47 N 0.16 0.56 -0.89 0.28 5.75 -1.09 -2.91 115.11 116.97 2k1g h GLN 47 Ca 0.06 -0.18 0.14 0.00 -0.15 0.00 0.00 58.65 58.53 2k1g h GLN 47 Cb 0.14 -0.05 -0.07 0.00 1.07 0.00 0.00 27.48 28.57 2k1g h GLN 47 CO -0.01 0.69 0.57 -0.92 -2.65 0.00 0.00 178.83 176.52 2k1g h TYR 48 N 0.51 0.82 -0.00 3.99 3.20 -1.09 0.71 116.97 125.10 2k1g h TYR 48 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2k1g h TYR 48 Cb 0.55 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 2k1g h TYR 48 CO 0.02 0.31 0.02 0.00 -1.64 0.00 0.00 178.16 176.86 2k1g h ALA 49 N 1.60 1.08 0.00 1.82 0.00 -1.42 -0.67 119.26 121.67 2k1g h ALA 49 Ca 0.45 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.32 2k1g h ALA 49 Cb 0.70 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2k1g h ALA 49 CO -0.20 -0.02 -1.17 -3.47 0.00 0.00 0.00 179.25 174.39 2k1g n ASP 50 N -3.16 0.78 -0.80 0.00 2.03 0.23 -4.27 116.55 111.36 2k1g n ASP 50 Ca -0.03 0.31 0.04 0.00 0.52 0.00 0.00 54.79 55.63 2k1g n ASP 50 Cb 0.09 0.52 0.18 0.00 -0.72 0.00 0.00 41.12 41.18 2k1g n ASP 50 CO 0.00 0.00 0.00 0.79 -1.92 0.00 0.00 177.20 176.07 2k1g n TRP 51 N -2.69 0.13 0.00 -0.67 7.02 -0.39 -4.90 117.44 115.95 2k1g n TRP 51 Ca -0.02 -1.40 0.00 0.00 -1.02 0.00 0.00 57.50 55.05 2k1g n TRP 51 Cb 0.61 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.26 2k1g n TRP 51 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2k1g n LYS 52 N -0.88 0.00 -2.58 -0.99 5.02 -0.44 -3.26 118.16 115.03 2k1g n LYS 52 Ca 0.18 0.06 -0.03 0.00 -2.02 0.00 0.00 58.31 56.50 2k1g n LYS 52 Cb 0.76 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 34.26 2k1g n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k1g n GLY 53 N -1.02 -0.66 3.80 0.72 0.00 -1.26 -4.91 105.19 101.86 2k1g n GLY 53 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 2k1g n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 54 N 0.03 5.02 0.67 1.61 1.01 -1.20 -4.82 120.40 122.71 2k1g s VAL 54 Ca 0.04 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 62.83 2k1g s VAL 54 Cb 0.07 -3.77 -0.00 0.00 0.00 0.00 0.00 36.38 32.67 2k1g s VAL 54 CO -0.02 0.51 1.06 0.00 0.00 0.00 0.00 175.10 176.65 2k1g s ARG 55 N -0.62 3.00 -0.16 2.72 1.70 -1.26 -0.76 118.95 123.57 2k1g s ARG 55 Ca 0.25 1.05 -0.29 0.00 -0.47 0.00 0.00 55.73 56.27 2k1g s ARG 55 Cb -0.17 -2.00 -0.02 0.00 -0.57 0.00 0.00 34.95 32.20 2k1g s ARG 55 CO 0.13 -1.06 1.38 -0.47 -1.08 0.00 0.00 175.30 174.21 2k1g s TYR 56 N -2.85 2.58 -0.07 5.89 5.04 -1.25 -0.46 117.35 126.23 2k1g s TYR 56 Ca 0.60 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 55.99 2k1g s TYR 56 Cb -0.15 -3.67 0.03 0.00 0.35 0.00 0.00 41.96 38.52 2k1g s TYR 56 CO 0.50 -2.26 0.03 0.50 -1.34 0.00 0.00 175.55 172.97 2k1g s ARG 57 N 3.78 0.28 -0.07 4.97 3.52 -1.03 -4.71 118.95 125.69 2k1g s ARG 57 Ca 0.60 0.20 -0.30 0.00 -0.13 0.00 0.00 55.73 56.10 2k1g s ARG 57 Cb -0.24 -0.85 -0.06 0.00 -1.56 0.00 0.00 34.95 32.24 2k1g s ARG 57 CO 0.20 -0.35 1.72 -0.51 -0.81 0.00 0.00 175.30 175.55 2k1g s LEU 58 N 2.06 4.23 0.00 -0.88 1.43 -1.26 -0.64 118.68 123.62 2k1g s LEU 58 Ca 0.05 2.19 0.00 0.00 -1.03 0.00 0.00 54.13 55.34 2k1g s LEU 58 Cb -0.12 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2k1g s LEU 58 CO -0.05 -1.04 0.00 0.61 0.23 0.00 0.00 176.35 176.11 2k1g n GLY 59 N 4.34 1.55 3.55 -3.19 0.00 -1.26 -4.88 105.19 105.30 2k1g n GLY 59 Ca 0.18 -0.03 -0.36 0.00 0.00 0.00 0.00 46.02 45.81 2k1g n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1g s GLY 60 N 0.00 0.12 -0.28 -0.02 0.00 -1.26 -4.96 107.32 100.93 2k1g s GLY 60 Ca 0.00 -0.72 -0.14 0.00 0.00 0.00 0.00 44.72 43.86 2k1g s GLY 60 CO 0.00 3.50 0.31 -1.35 0.00 0.00 0.00 173.10 175.57 2k1g s SER 61 N 8.49 6.17 -0.02 1.64 1.04 -1.25 -3.73 113.70 126.04 2k1g s SER 61 Ca 0.70 0.13 -0.29 0.00 0.48 0.00 0.00 55.95 56.97 2k1g s SER 61 Cb -0.12 -2.18 0.10 0.00 0.10 0.00 0.00 66.02 63.92 2k1g s SER 61 CO 0.18 -0.16 1.29 0.28 0.98 0.00 0.00 173.24 175.81 2k1g s THR 62 N 1.97 0.00 -0.25 2.02 -1.32 0.13 -4.98 115.64 113.21 2k1g s THR 62 Ca 0.12 -0.17 0.27 0.00 -1.21 0.00 0.00 61.69 60.70 2k1g s THR 62 Cb -0.16 -2.70 0.30 0.00 -1.51 0.00 0.00 72.50 68.43 2k1g s THR 62 CO 0.10 0.00 1.81 0.11 -2.21 0.00 0.00 174.62 174.44 2k1g h LYS 63 N 2.00 0.00 -0.07 7.08 6.56 -1.96 -1.21 116.57 128.97 2k1g h LYS 63 Ca -0.25 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.34 2k1g h LYS 63 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 2k1g h LYS 63 CO 0.31 0.00 0.00 1.63 -2.06 0.00 0.00 179.45 179.33 2k1g n LYS 64 N -2.52 1.41 0.00 3.15 4.01 -1.26 -4.77 118.16 118.18 2k1g n LYS 64 Ca 0.01 -0.61 0.00 0.00 -0.51 0.00 0.00 58.31 57.20 2k1g n LYS 64 Cb 0.23 -1.40 0.00 0.00 -0.51 0.00 0.00 35.03 33.35 2k1g n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k1g n GLY 65 N 1.03 4.38 3.64 0.72 0.00 -0.46 -4.86 105.19 109.65 2k1g n GLY 65 Ca 0.17 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 2k1g n GLY 65 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2k1g s ILE 66 N -1.28 0.00 0.56 -0.61 2.07 0.39 0.19 121.20 122.53 2k1g s ILE 66 Ca 0.00 0.00 0.02 0.00 -1.41 0.00 0.00 60.65 59.26 2k1g s ILE 66 Cb 0.00 -1.00 0.05 0.00 0.13 0.00 0.00 42.46 41.64 2k1g s ILE 66 CO 0.00 0.00 0.78 1.51 -1.91 0.00 0.00 174.94 175.32 2k1g s ASP 67 N 0.48 5.18 0.29 4.50 -4.77 0.19 -2.46 116.67 120.07 2k1g s ASP 67 Ca 0.00 -0.15 0.02 0.00 -3.30 0.00 0.00 52.55 49.13 2k1g s ASP 67 Cb -0.05 -0.67 0.58 0.00 -1.09 0.00 0.00 42.92 41.69 2k1g s ASP 67 CO -0.06 -1.21 1.84 0.00 0.70 0.00 0.00 175.17 176.43 2k1g h SER 69 N 0.97 0.31 -0.31 0.00 0.87 -1.90 -2.13 113.55 111.37 2k1g h SER 69 Ca 0.49 -0.37 -0.08 0.00 -1.23 0.00 0.00 61.79 60.61 2k1g h SER 69 Cb 0.52 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.37 2k1g h SER 69 CO -0.26 0.61 -0.06 1.23 -0.53 0.00 0.00 176.83 177.82 2k1g h GLY 70 N 0.01 0.75 0.87 5.77 0.00 -1.68 -2.29 103.07 106.50 2k1g h GLY 70 Ca 0.04 -0.51 -0.03 0.00 0.00 0.00 0.00 47.33 46.83 2k1g h GLY 70 CO 0.02 0.48 -0.26 -2.75 0.00 0.00 0.00 176.54 174.03 2k1g h PHE 71 N 0.64 -0.66 -0.75 5.60 3.57 -0.99 -2.27 116.94 122.07 2k1g h PHE 71 Ca 0.12 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 2k1g h PHE 71 Cb 0.49 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2k1g h PHE 71 CO 0.02 -0.36 0.42 -0.24 -2.23 0.00 0.00 178.31 175.92 2k1g h VAL 72 N -0.86 1.22 0.28 1.41 3.04 -1.42 -1.65 116.25 118.27 2k1g h VAL 72 Ca -0.07 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 2k1g h VAL 72 Cb 0.60 0.20 -0.03 0.00 -2.01 0.00 0.00 31.29 30.05 2k1g h VAL 72 CO 0.12 0.25 -0.44 -0.61 -1.01 0.00 0.00 177.57 175.88 2k1g h GLN 73 N 1.05 -0.75 0.19 4.17 4.15 -1.37 -2.73 115.11 119.82 2k1g h GLN 73 Ca 0.27 0.05 -0.01 0.00 0.77 0.00 0.00 58.65 59.73 2k1g h GLN 73 Cb 0.02 0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2k1g h GLN 73 CO -0.04 -0.50 -0.09 0.00 -1.93 0.00 0.00 178.83 176.27 2k1g h ARG 74 N -0.78 -0.24 -0.43 1.69 3.08 -1.21 -2.76 114.38 113.73 2k1g h ARG 74 Ca -0.01 0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2k1g h ARG 74 Cb 0.74 0.05 -0.09 0.00 0.08 0.00 0.00 29.97 30.75 2k1g h ARG 74 CO -0.16 -0.15 -0.29 1.15 -1.07 0.00 0.00 179.97 179.45 2k1g h THR 75 N -0.26 0.27 -0.37 2.04 2.02 -1.27 0.27 112.91 115.61 2k1g h THR 75 Ca -0.03 0.00 -0.13 0.00 0.77 0.00 0.00 66.41 67.03 2k1g h THR 75 Cb 0.20 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.86 2k1g h THR 75 CO 0.04 0.00 -0.29 -0.26 0.37 0.00 0.00 175.52 175.39 2k1g h PHE 76 N -0.21 0.92 0.00 3.16 -1.00 -1.50 -0.07 116.94 118.24 2k1g h PHE 76 Ca 0.19 -0.23 -0.03 0.00 2.81 0.00 0.00 57.97 60.71 2k1g h PHE 76 Cb 0.52 -0.21 -0.00 0.00 3.61 0.00 0.00 35.95 39.86 2k1g h PHE 76 CO -0.52 0.98 -0.12 0.07 -1.61 0.00 0.00 178.31 177.11 2k1g h ARG 77 N 0.68 0.00 0.00 1.51 0.11 -0.68 0.16 114.38 116.15 2k1g h ARG 77 Ca 0.08 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 60.09 2k1g h ARG 77 Cb 0.82 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.89 2k1g h ARG 77 CO 0.07 0.12 -0.57 0.93 0.10 0.00 0.00 179.97 180.62 2k1g h GLU 78 N 0.00 0.00 0.08 0.08 4.39 -0.36 -3.08 114.58 115.69 2k1g h GLU 78 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2k1g h GLU 78 Cb 1.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2k1g h GLU 78 CO 0.02 0.49 -0.04 1.96 -1.16 0.00 0.00 179.01 180.28 2k1g h GLN 79 N -1.00 -0.11 0.00 2.33 7.50 -1.14 -3.38 115.11 119.31 2k1g h GLN 79 Ca -0.11 0.01 -0.37 0.00 0.50 0.00 0.00 58.65 58.67 2k1g h GLN 79 Cb 0.75 0.02 -0.07 0.00 0.05 0.00 0.00 27.48 28.24 2k1g h GLN 79 CO -0.07 0.27 -2.41 1.19 -1.50 0.00 0.00 178.83 176.31 2k1g n PHE 80 N -4.96 0.00 0.00 2.96 3.72 -0.89 -5.00 117.46 113.29 2k1g n PHE 80 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 2k1g n PHE 80 Cb 0.23 -0.97 0.00 0.00 -0.94 0.00 0.00 39.48 37.79 2k1g n PHE 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k1g n GLY 81 N 2.13 0.92 3.60 1.37 0.00 0.35 -4.99 105.19 108.58 2k1g n GLY 81 Ca -0.41 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2k1g n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k1g s LEU 82 N 0.00 3.66 -0.42 0.99 2.96 -0.01 -4.75 118.68 121.11 2k1g s LEU 82 Ca 0.00 0.57 -0.26 0.00 -0.22 0.00 0.00 54.13 54.22 2k1g s LEU 82 Cb 0.00 -3.55 0.02 0.00 0.50 0.00 0.00 46.19 43.16 2k1g s LEU 82 CO 0.00 -1.24 0.94 -1.61 -1.32 0.00 0.00 176.35 173.12 2k1g s GLU 83 N 4.43 3.69 0.15 1.98 2.02 -1.26 -1.51 118.70 128.20 2k1g s GLU 83 Ca 0.49 0.38 0.03 0.00 0.02 0.00 0.00 54.97 55.89 2k1g s GLU 83 Cb -0.08 -3.87 -0.04 0.00 0.10 0.00 0.00 34.13 30.24 2k1g s GLU 83 CO 0.30 -1.10 0.26 -0.51 0.02 0.00 0.00 175.26 174.23 2k1g s LEU 84 N 3.67 4.25 0.00 1.80 1.43 -1.26 -5.04 118.68 123.53 2k1g s LEU 84 Ca 0.38 0.12 -0.20 0.00 -1.03 0.00 0.00 54.13 53.40 2k1g s LEU 84 Cb -0.11 -2.83 0.31 0.00 0.03 0.00 0.00 46.19 43.59 2k1g s LEU 84 CO 0.23 0.05 0.92 -0.81 0.23 0.00 0.00 176.35 176.98 2k1g n PRO 85 N -0.52 -3.64 0.05 1.29 -0.04 -1.26 -4.92 135.00 125.96 2k1g n PRO 85 Ca -0.07 -1.50 -0.22 0.00 -0.04 0.00 0.00 63.50 61.66 2k1g n PRO 85 Cb 0.54 -1.60 -0.15 0.00 -0.04 0.00 0.00 33.50 32.26 2k1g n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1g h ARG 86 N 0.00 0.34 -6.21 0.54 -0.00 -1.97 -3.45 114.38 103.63 2k1g h ARG 86 Ca -0.37 -0.58 -0.68 0.00 -0.50 0.00 0.00 59.98 57.84 2k1g h ARG 86 Cb 1.18 0.22 -0.18 0.00 0.00 0.00 0.00 29.97 31.19 2k1g h ARG 86 CO 0.24 1.27 -0.70 -1.12 0.00 0.00 0.00 179.97 179.66 2k1g s SER 87 N -7.19 4.65 0.34 7.04 0.01 -1.26 -4.44 113.70 112.84 2k1g s SER 87 Ca -0.18 -0.07 0.11 0.00 1.31 0.00 0.00 55.95 57.11 2k1g s SER 87 Cb 0.06 -1.13 0.91 0.00 0.21 0.00 0.00 66.02 66.06 2k1g s SER 87 CO 0.82 0.33 1.75 0.74 0.41 0.00 0.00 173.24 177.29 2k1g h THR 88 N 4.02 0.57 -0.54 1.44 2.02 -1.90 0.52 112.91 119.04 2k1g h THR 88 Ca -0.49 -0.20 0.09 0.00 0.77 0.00 0.00 66.41 66.59 2k1g h THR 88 Cb 1.17 -0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 2k1g h THR 88 CO 0.53 0.11 0.12 1.88 0.37 0.00 0.00 175.52 178.53 2k1g h TYR 89 N 0.58 0.19 -0.46 3.16 0.05 -1.99 0.10 116.97 118.61 2k1g h TYR 89 Ca 0.62 0.03 -0.07 0.00 0.05 0.00 0.00 58.73 59.36 2k1g h TYR 89 Cb 1.22 -0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.93 2k1g h TYR 89 CO -0.00 -0.00 -0.01 0.93 -1.05 0.00 0.00 178.16 178.02 2k1g h GLU 90 N 0.26 0.76 0.00 4.88 5.08 -1.33 -2.65 114.58 121.58 2k1g h GLU 90 Ca 0.28 -0.21 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 2k1g h GLU 90 Cb 0.38 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2k1g h GLU 90 CO -0.35 0.78 -0.29 1.96 -1.00 0.00 0.00 179.01 180.10 2k1g h GLN 91 N 0.71 0.00 0.00 2.33 4.20 -0.49 -2.11 115.11 119.75 2k1g h GLN 91 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 2k1g h GLN 91 Cb 0.45 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2k1g h GLN 91 CO 0.02 0.29 0.00 1.04 -0.67 0.00 0.00 178.83 179.52 2k1g n GLN 92 N -3.97 0.15 0.00 1.46 6.02 -0.10 -2.78 117.38 118.16 2k1g n GLN 92 Ca -0.02 0.18 0.10 0.00 -0.01 0.00 0.00 57.00 57.26 2k1g n GLN 92 Cb 0.36 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.07 2k1g n GLN 92 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2k1g n GLU 93 N -1.33 0.02 -4.42 -1.09 -0.58 -0.79 -5.00 120.64 107.46 2k1g n GLU 93 Ca 0.06 -0.00 -0.21 0.00 -0.42 0.00 0.00 57.16 56.58 2k1g n GLU 93 Cb 0.11 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.38 2k1g n GLU 93 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k1g s MET 94 N -3.01 1.52 0.00 3.49 0.23 -1.12 -5.10 119.30 115.30 2k1g s MET 94 Ca 0.08 -1.73 0.00 0.00 -1.03 0.00 0.00 55.69 53.01 2k1g s MET 94 Cb 0.16 -1.29 0.00 0.00 -1.53 0.00 0.00 34.83 32.18 2k1g s MET 94 CO 0.84 0.14 0.00 0.41 -2.03 0.00 0.00 175.02 174.38 2k1g n GLY 95 N -0.54 -0.45 3.68 3.16 0.00 -1.26 -4.88 105.19 104.90 2k1g n GLY 95 Ca -0.06 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.89 2k1g n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1g s LYS 96 N -2.95 4.35 -0.43 1.61 -0.14 -0.64 -4.77 119.74 116.77 2k1g s LYS 96 Ca 0.00 1.02 -0.28 0.00 -1.36 0.00 0.00 55.97 55.35 2k1g s LYS 96 Cb 0.00 -3.53 0.02 0.00 -1.68 0.00 0.00 37.83 32.64 2k1g s LYS 96 CO 0.00 -0.21 1.07 -1.54 -0.76 0.00 0.00 175.35 173.91 2k1g s SER 97 N 1.06 6.68 0.21 2.83 1.04 -1.26 -0.56 113.70 123.71 2k1g s SER 97 Ca 0.39 0.56 0.06 0.00 0.48 0.00 0.00 55.95 57.45 2k1g s SER 97 Cb -0.17 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.39 2k1g s SER 97 CO 0.15 -1.10 0.16 0.68 0.98 0.00 0.00 173.24 174.11 2k1g s VAL 98 N 4.07 4.40 0.60 5.02 -7.23 0.15 -4.96 120.40 122.45 2k1g s VAL 98 Ca 0.45 -1.28 0.09 0.00 -1.81 0.00 0.00 61.98 59.43 2k1g s VAL 98 Cb -0.09 -3.32 0.10 0.00 0.56 0.00 0.00 36.38 33.63 2k1g s VAL 98 CO 0.26 -0.24 0.82 -1.54 -0.31 0.00 0.00 175.10 174.10 2k1g n SER 99 N -0.77 2.09 -0.32 4.85 3.41 -1.26 -2.73 113.62 118.90 2k1g n SER 99 Ca -0.08 -2.54 0.07 0.00 -0.26 0.00 0.00 58.87 56.07 2k1g n SER 99 Cb 0.56 -0.44 0.23 0.00 -0.26 0.00 0.00 64.21 64.30 2k1g n SER 99 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2k1g h ARG 100 N 0.00 0.75 0.00 4.33 9.65 -1.98 -0.45 114.38 126.68 2k1g h ARG 100 Ca -0.28 -0.05 -0.09 0.00 -1.10 0.00 0.00 59.98 58.47 2k1g h ARG 100 Cb 1.26 -0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 29.66 2k1g h ARG 100 CO 0.39 0.50 -0.41 0.77 2.80 0.00 0.00 179.97 184.02 2k1g h SER 101 N 0.78 0.00 0.54 -3.80 0.02 -2.06 -3.23 113.55 105.80 2k1g h SER 101 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 2k1g h SER 101 Cb 0.60 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2k1g h SER 101 CO -0.32 0.41 -0.27 0.59 -1.14 0.00 0.00 176.83 176.10 2k1g n ASN 102 N -3.29 0.46 -4.74 3.07 4.13 -0.25 -4.91 115.26 109.73 2k1g n ASN 102 Ca 0.01 -0.25 -0.42 0.00 1.68 0.00 0.00 54.58 55.61 2k1g n ASN 102 Cb 0.64 -0.00 -0.02 0.00 -1.54 0.00 0.00 39.78 38.85 2k1g n ASN 102 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2k1g s LEU 103 N -2.81 4.37 0.00 3.41 1.43 -0.75 -4.81 118.68 119.51 2k1g s LEU 103 Ca 0.18 2.75 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 2k1g s LEU 103 Cb 0.19 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.79 2k1g s LEU 103 CO 0.59 -0.82 0.00 0.54 0.23 0.00 0.00 176.35 176.89 2k1g n ARG 104 N 2.88 0.00 -4.06 1.70 1.74 -1.26 -4.99 116.66 112.67 2k1g n ARG 104 Ca 0.10 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.83 2k1g n ARG 104 Cb 0.38 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.71 2k1g n ARG 104 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2k1g s THR 105 N 3.21 4.36 0.00 0.55 2.01 -1.26 -3.56 115.64 120.95 2k1g s THR 105 Ca 0.00 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.82 2k1g s THR 105 Cb 0.00 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.54 2k1g s THR 105 CO 0.00 0.44 0.00 0.61 -0.69 0.00 0.00 174.62 174.98 2k1g n GLY 106 N 3.94 1.01 3.66 4.40 0.00 0.31 -4.97 105.19 113.52 2k1g n GLY 106 Ca -0.17 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2k1g n GLY 106 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2k1g s ASP 107 N -2.00 7.02 -0.59 1.61 1.11 -1.20 -4.54 116.67 118.08 2k1g s ASP 107 Ca 0.00 1.28 -0.28 0.00 0.18 0.00 0.00 52.55 53.74 2k1g s ASP 107 Cb 0.00 -2.51 0.01 0.00 1.07 0.00 0.00 42.92 41.49 2k1g s ASP 107 CO 0.00 -0.62 1.41 -0.76 1.18 0.00 0.00 175.17 176.38 2k1g s LEU 108 N 3.08 3.36 -0.29 1.23 1.43 0.03 -1.25 118.68 126.28 2k1g s LEU 108 Ca 0.41 0.17 -0.15 0.00 -1.03 0.00 0.00 54.13 53.53 2k1g s LEU 108 Cb -0.15 -2.95 -0.03 0.00 0.03 0.00 0.00 46.19 43.09 2k1g s LEU 108 CO 0.07 -1.76 0.39 0.68 0.23 0.00 0.00 176.35 175.96 2k1g s VAL 109 N 6.15 5.15 -0.30 -1.59 -7.23 -0.34 -0.04 120.40 122.20 2k1g s VAL 109 Ca 0.50 0.49 -0.17 0.00 -1.81 0.00 0.00 61.98 60.99 2k1g s VAL 109 Cb -0.10 -3.75 -0.02 0.00 0.56 0.00 0.00 36.38 33.07 2k1g s VAL 109 CO 0.23 0.08 0.47 -0.76 -0.31 0.00 0.00 175.10 174.81 2k1g s LEU 110 N 2.11 4.19 -0.13 1.32 1.43 0.27 -1.21 118.68 126.66 2k1g s LEU 110 Ca 0.15 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.41 2k1g s LEU 110 Cb -0.16 -2.56 -0.03 0.00 0.03 0.00 0.00 46.19 43.47 2k1g s LEU 110 CO 0.10 -0.35 -0.02 -0.36 0.23 0.00 0.00 176.35 175.96 2k1g s PHE 111 N 2.28 3.08 -0.46 0.29 0.08 0.65 -1.29 117.98 122.60 2k1g s PHE 111 Ca 0.18 -0.09 -0.27 0.00 0.12 0.00 0.00 56.93 56.87 2k1g s PHE 111 Cb -0.16 -1.91 0.03 0.00 -0.57 0.00 0.00 43.02 40.41 2k1g s PHE 111 CO 0.11 0.15 1.03 1.03 -0.10 0.00 0.00 175.22 177.44 2k1g s ARG 112 N -0.06 3.65 0.37 0.44 0.52 -0.69 0.58 118.95 123.77 2k1g s ARG 112 Ca 0.03 0.39 -0.07 0.00 -0.52 0.00 0.00 55.73 55.56 2k1g s ARG 112 Cb -0.13 -3.91 -0.05 0.00 0.52 0.00 0.00 34.95 31.38 2k1g s ARG 112 CO 0.02 -1.27 0.68 0.00 0.02 0.00 0.00 175.30 174.75 2k1g s ALA 113 N 4.06 3.48 0.00 2.13 0.00 -1.26 -4.55 121.76 125.62 2k1g s ALA 113 Ca 0.42 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.94 2k1g s ALA 113 Cb -0.09 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.54 2k1g s ALA 113 CO 0.28 0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.46 2k1g n GLY 114 N -1.40 1.00 0.90 0.00 0.00 -1.26 -0.30 105.19 104.13 2k1g n GLY 114 Ca 0.00 0.38 -0.02 0.00 0.00 0.00 0.00 46.02 46.39 2k1g n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1g n SER 115 N 5.96 1.23 -2.73 1.61 7.64 -1.26 -4.93 113.62 121.14 2k1g n SER 115 Ca 0.00 0.17 -0.05 0.00 1.01 0.00 0.00 58.87 60.00 2k1g n SER 115 Cb 0.00 -0.40 0.06 0.00 -1.01 0.00 0.00 64.21 62.86 2k1g n SER 115 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k1g n THR 116 N -3.64 0.81 0.00 0.44 -2.24 -1.21 -4.94 114.28 103.50 2k1g n THR 116 Ca -0.02 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.24 2k1g n THR 116 Cb 0.09 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 2k1g n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1g n GLY 117 N -0.51 0.87 3.20 3.38 0.00 0.59 -4.82 105.19 107.89 2k1g n GLY 117 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2k1g n GLY 117 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k1g s ARG 118 N 0.14 0.61 -0.13 1.61 1.04 -1.26 -4.22 118.95 116.74 2k1g s ARG 118 Ca 0.00 -0.23 -0.30 0.00 -1.04 0.00 0.00 55.73 54.15 2k1g s ARG 118 Cb 0.00 0.27 0.11 0.00 -2.04 0.00 0.00 34.95 33.29 2k1g s ARG 118 CO 0.00 -0.16 0.89 -1.58 -0.04 0.00 0.00 175.30 174.40 2k1g s HIS 119 N -1.31 -0.48 -0.04 5.89 2.46 0.20 -4.14 115.29 117.87 2k1g s HIS 119 Ca -0.14 0.83 -0.03 0.00 0.47 0.00 0.00 55.06 56.19 2k1g s HIS 119 Cb -0.06 0.43 0.02 0.00 -0.13 0.00 0.00 32.58 32.84 2k1g s HIS 119 CO 0.03 -0.43 0.09 0.54 -2.47 0.00 0.00 174.74 172.51 2k1g s VAL 120 N -1.09 -0.01 0.11 0.89 0.11 -1.26 -0.26 120.40 118.89 2k1g s VAL 120 Ca -0.05 0.05 0.05 0.00 -2.93 0.00 0.00 61.98 59.11 2k1g s VAL 120 Cb -0.00 -0.15 -0.04 0.00 -1.53 0.00 0.00 36.38 34.66 2k1g s VAL 120 CO 0.04 0.02 -0.13 -0.83 -3.33 0.00 0.00 175.10 170.87 2k1g s GLY 121 N 0.36 1.02 -0.61 6.54 0.00 -0.35 -4.65 107.32 109.63 2k1g s GLY 121 Ca -0.03 -1.25 -0.20 0.00 0.00 0.00 0.00 44.72 43.24 2k1g s GLY 121 CO -0.01 -1.31 0.79 -0.42 0.00 0.00 0.00 173.10 172.15 2k1g s ILE 122 N -2.11 4.64 -0.17 0.90 1.01 -0.03 -1.20 121.20 124.24 2k1g s ILE 122 Ca 0.07 -0.74 -0.29 0.00 0.00 0.00 0.00 60.65 59.69 2k1g s ILE 122 Cb -0.05 -4.55 -0.03 0.00 0.01 0.00 0.00 42.46 37.84 2k1g s ILE 122 CO 0.02 -1.23 1.49 -0.47 0.00 0.00 0.00 174.94 174.76 2k1g s TYR 123 N 3.18 2.34 -0.19 3.97 6.14 -0.38 -1.07 117.35 131.34 2k1g s TYR 123 Ca 0.16 0.61 0.17 0.00 0.64 0.00 0.00 57.07 58.65 2k1g s TYR 123 Cb -0.21 -3.83 -0.25 0.00 0.42 0.00 0.00 41.96 38.09 2k1g s TYR 123 CO 0.08 -2.71 0.12 0.44 0.64 0.00 0.00 175.55 174.12 2k1g n ILE 124 N 5.85 1.41 0.00 3.14 -5.35 -0.39 -0.53 119.36 123.49 2k1g n ILE 124 Ca 0.17 -0.85 0.00 0.00 -0.27 0.00 0.00 62.75 61.80 2k1g n ILE 124 Cb 0.45 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.81 2k1g n ILE 124 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k1g n GLY 125 N 1.74 3.76 3.74 3.28 0.00 -1.04 -4.26 105.19 112.40 2k1g n GLY 125 Ca -0.32 -1.44 -0.27 0.00 0.00 0.00 0.00 46.02 43.99 2k1g n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k1g n ASN 126 N 0.00 -5.66 0.00 1.61 3.02 -1.26 -1.02 115.26 111.95 2k1g n ASN 126 Ca 0.00 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.91 2k1g n ASN 126 Cb 0.00 -4.48 0.00 0.00 -0.61 0.00 0.00 39.78 34.69 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2k1g n ASN 127 N -2.92 -2.26 -4.87 6.41 5.03 -1.26 -4.89 115.26 110.51 2k1g n ASN 127 Ca 0.02 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.10 2k1g n ASN 127 Cb 0.54 -1.89 -0.06 0.00 -1.02 0.00 0.00 39.78 37.36 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2k1g s GLN 128 N -0.89 3.62 -0.09 3.52 -0.21 -0.19 -0.55 119.66 124.87 2k1g s GLN 128 Ca 0.00 0.07 -0.07 0.00 0.02 0.00 0.00 55.36 55.37 2k1g s GLN 128 Cb 0.00 -3.19 0.03 0.00 1.00 0.00 0.00 33.01 30.85 2k1g s GLN 128 CO 0.00 0.74 0.24 -0.59 -2.12 0.00 0.00 175.29 173.55 2k1g s PHE 129 N -1.08 -0.28 -0.18 0.91 -0.71 -0.61 -1.26 117.98 114.77 2k1g s PHE 129 Ca 0.19 0.67 -0.17 0.00 -1.04 0.00 0.00 56.93 56.58 2k1g s PHE 129 Cb -0.14 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2k1g s PHE 129 CO 0.09 -0.15 0.45 0.54 -1.34 0.00 0.00 175.22 174.80 2k1g s VAL 130 N 0.40 5.17 -0.03 -2.49 0.11 -0.24 -1.42 120.40 121.90 2k1g s VAL 130 Ca -0.02 0.83 -0.24 0.00 -2.93 0.00 0.00 61.98 59.62 2k1g s VAL 130 Cb -0.04 -3.78 0.05 0.00 -1.53 0.00 0.00 36.38 31.08 2k1g s VAL 130 CO -0.02 0.25 0.51 -1.38 -3.33 0.00 0.00 175.10 171.14 2k1g s HIS 131 N 1.22 -0.44 -0.97 1.54 -3.43 -0.01 -0.85 115.29 112.34 2k1g s HIS 131 Ca 0.22 0.73 -0.24 0.00 -0.80 0.00 0.00 55.06 54.97 2k1g s HIS 131 Cb -0.15 0.27 0.04 0.00 -1.43 0.00 0.00 32.58 31.31 2k1g s HIS 131 CO 0.09 -0.51 1.49 0.00 -2.00 0.00 0.00 174.74 173.80 2k1g s ALA 132 N -1.29 2.60 0.33 -1.38 0.00 -1.26 -0.87 121.76 119.89 2k1g s ALA 132 Ca -0.12 -2.05 -0.26 0.00 0.00 0.00 0.00 51.96 49.53 2k1g s ALA 132 Cb -0.02 -4.50 -0.10 0.00 0.00 0.00 0.00 23.12 18.51 2k1g s ALA 132 CO 0.07 -3.70 0.99 -1.54 0.00 0.00 0.00 175.76 171.57 2k1g s SER 133 N 5.18 7.22 0.00 0.00 1.04 0.72 -3.46 113.70 124.39 2k1g s SER 133 Ca 0.47 1.94 0.26 0.00 0.48 0.00 0.00 55.95 59.11 2k1g s SER 133 Cb -0.02 -2.59 1.36 0.00 0.10 0.00 0.00 66.02 64.87 2k1g s SER 133 CO -0.05 -0.16 1.90 1.07 0.98 0.00 0.00 173.24 176.97 2k1g n THR 134 N 0.55 0.14 0.02 2.02 5.66 -1.26 -1.15 114.28 120.26 2k1g n THR 134 Ca 0.02 0.03 -0.16 0.00 -3.05 0.00 0.00 64.05 60.89 2k1g n THR 134 Cb 0.49 -0.60 -0.14 0.00 -1.55 0.00 0.00 70.33 68.53 2k1g n THR 134 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2k1g h SER 135 N 0.00 0.29 0.00 1.09 0.02 -2.01 -3.46 113.55 109.49 2k1g h SER 135 Ca 0.00 -0.54 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2k1g h SER 135 Cb 0.21 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2k1g h SER 135 CO 0.00 1.47 -0.06 -1.20 -1.14 0.00 0.00 176.83 175.90 2k1g n SER 136 N -3.35 -0.02 0.00 3.07 7.64 -1.20 -5.13 113.62 114.63 2k1g n SER 136 Ca -0.22 0.09 0.00 0.00 1.01 0.00 0.00 58.87 59.75 2k1g n SER 136 Cb 1.05 0.07 0.00 0.00 -1.01 0.00 0.00 64.21 64.31 2k1g n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1g n GLY 137 N 1.63 0.62 3.55 0.23 0.00 -0.30 -4.60 105.19 106.32 2k1g n GLY 137 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 2k1g n GLY 137 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 138 N -3.68 3.17 0.25 1.61 1.01 0.06 -0.20 120.40 122.62 2k1g s VAL 138 Ca 0.00 -0.00 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2k1g s VAL 138 Cb 0.00 -3.42 -0.05 0.00 0.00 0.00 0.00 36.38 32.91 2k1g s VAL 138 CO 0.00 -0.40 0.06 0.27 0.00 0.00 0.00 175.10 175.03 2k1g s ILE 139 N 11.62 0.72 -0.35 2.22 -4.36 -0.05 -4.22 121.20 126.77 2k1g s ILE 139 Ca 0.84 -2.00 -0.07 0.00 -0.26 0.00 0.00 60.65 59.16 2k1g s ILE 139 Cb -0.13 -2.53 0.04 0.00 1.25 0.00 0.00 42.46 41.09 2k1g s ILE 139 CO 0.17 -0.12 0.12 -0.63 0.24 0.00 0.00 174.94 174.72 2k1g s ILE 140 N -3.64 3.85 0.48 8.37 1.01 -1.26 -0.83 121.20 129.18 2k1g s ILE 140 Ca 0.34 -1.15 0.07 0.00 0.00 0.00 0.00 60.65 59.91 2k1g s ILE 140 Cb 0.07 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.35 2k1g s ILE 140 CO 0.12 -0.22 0.43 -0.44 0.00 0.00 0.00 174.94 174.83 2k1g s SER 141 N 1.47 4.90 -0.00 3.58 0.01 -0.51 -4.83 113.70 118.32 2k1g s SER 141 Ca -0.01 -0.93 0.08 0.00 1.31 0.00 0.00 55.95 56.40 2k1g s SER 141 Cb -0.20 -0.14 -0.02 0.00 0.21 0.00 0.00 66.02 65.87 2k1g s SER 141 CO 0.03 -0.88 -0.26 -0.55 0.41 0.00 0.00 173.24 171.99 2k1g s SER 142 N -4.24 3.09 0.00 2.44 0.15 -1.26 -1.58 113.70 112.31 2k1g s SER 142 Ca 0.45 -0.50 0.26 0.00 0.70 0.00 0.00 55.95 56.86 2k1g s SER 142 Cb -0.03 -0.33 1.56 0.00 -1.71 0.00 0.00 66.02 65.51 2k1g s SER 142 CO 0.27 0.30 1.93 0.23 1.20 0.00 0.00 173.24 177.17 2k1g n MET 143 N 2.26 0.79 0.02 5.44 2.81 0.28 -2.40 117.12 126.31 2k1g n MET 143 Ca -0.16 0.00 0.13 0.00 -1.81 0.00 0.00 57.70 55.86 2k1g n MET 143 Cb 0.51 -1.50 0.40 0.00 -0.71 0.00 0.00 33.22 31.93 2k1g n MET 143 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2k1g n ASN 144 N -1.03 0.35 -4.72 7.83 3.02 -1.26 -3.96 115.26 115.49 2k1g n ASN 144 Ca 0.19 0.16 -0.41 0.00 -0.03 0.00 0.00 54.58 54.49 2k1g n ASN 144 Cb 0.10 -0.15 -0.04 0.00 -0.61 0.00 0.00 39.78 39.09 2k1g n ASN 144 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2k1g s GLU 145 N -3.03 4.55 0.21 3.52 0.41 -1.01 -4.91 118.70 118.44 2k1g s GLU 145 Ca 0.12 1.65 -0.13 0.00 -0.41 0.00 0.00 54.97 56.20 2k1g s GLU 145 Cb 0.17 -3.34 0.25 0.00 -1.78 0.00 0.00 34.13 29.43 2k1g s GLU 145 CO 0.63 -0.03 1.64 -1.35 -0.49 0.00 0.00 175.26 175.66 2k1g h PRO 146 N 5.97 0.03 -0.18 0.39 0.11 -1.90 -0.32 132.00 136.10 2k1g h PRO 146 Ca -0.43 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2k1g h PRO 146 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2k1g h PRO 146 CO 0.75 0.02 0.10 -0.92 -0.21 0.00 0.00 178.00 177.74 2k1g h TYR 147 N 0.03 0.24 -0.10 0.65 3.20 -1.96 -2.56 116.97 116.48 2k1g h TYR 147 Ca 0.31 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.00 2k1g h TYR 147 Cb 0.48 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 2k1g h TYR 147 CO -0.46 0.23 -0.68 -1.49 -1.64 0.00 0.00 178.16 174.12 2k1g h TRP 148 N 0.19 0.54 -0.22 -3.82 4.06 -1.67 -1.27 115.95 113.76 2k1g h TRP 148 Ca 0.06 -0.23 -0.00 0.00 2.06 0.00 0.00 58.89 60.78 2k1g h TRP 148 Cb 0.07 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 28.13 2k1g h TRP 148 CO -0.04 0.96 0.12 -0.22 -3.56 0.00 0.00 178.44 175.70 2k1g h LYS 149 N 0.29 0.31 -0.04 0.49 3.64 -1.05 0.08 116.57 120.30 2k1g h LYS 149 Ca -0.02 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.17 2k1g h LYS 149 Cb 1.24 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2k1g h LYS 149 CO 0.12 0.29 -0.68 1.57 -2.27 0.00 0.00 179.45 178.47 2k1g h LYS 150 N 0.24 0.17 0.00 1.90 2.10 -1.38 -3.02 116.57 116.58 2k1g h LYS 150 Ca 0.08 -0.14 -0.06 0.00 -2.00 0.00 0.00 60.65 58.53 2k1g h LYS 150 Cb 0.07 0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.42 2k1g h LYS 150 CO -0.01 0.79 -0.29 0.00 -2.00 0.00 0.00 179.45 177.94 2k1g h ARG 151 N 0.12 0.00 -5.96 0.07 2.47 -1.15 -3.44 114.38 106.49 2k1g h ARG 151 Ca -0.02 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.14 2k1g h ARG 151 Cb 1.22 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.54 2k1g h ARG 151 CO 0.10 0.29 1.49 -0.47 0.56 0.00 0.00 179.97 181.94 2k1g s TYR 152 N -3.27 1.23 -0.01 3.04 5.04 0.01 -1.70 117.35 121.68 2k1g s TYR 152 Ca 0.03 0.72 -0.01 0.00 -2.44 0.00 0.00 57.07 55.38 2k1g s TYR 152 Cb 0.08 -3.90 -0.00 0.00 0.35 0.00 0.00 41.96 38.49 2k1g s TYR 152 CO 0.69 -3.68 -0.02 -1.71 -1.34 0.00 0.00 175.55 169.49 2k1g n ASN 153 N 12.25 0.16 -3.79 4.32 5.15 -0.41 -5.00 115.26 127.94 2k1g n ASN 153 Ca 0.30 0.25 -0.12 0.00 -0.60 0.00 0.00 54.58 54.41 2k1g n ASN 153 Cb 0.47 -0.53 -0.08 0.00 -0.53 0.00 0.00 39.78 39.10 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k1g s GLU 154 N -1.12 0.71 0.11 1.20 -1.05 -1.23 -5.03 118.70 112.30 2k1g s GLU 154 Ca -0.01 -0.45 0.08 0.00 -0.15 0.00 0.00 54.97 54.44 2k1g s GLU 154 Cb 0.00 0.31 -0.04 0.00 -0.44 0.00 0.00 34.13 33.96 2k1g s GLU 154 CO 0.02 -0.21 -0.16 0.00 0.95 0.00 0.00 175.26 175.86 2k1g s ALA 155 N -2.13 2.74 -0.05 -0.84 0.00 -1.11 -0.57 121.76 119.81 2k1g s ALA 155 Ca -0.08 -1.32 -0.01 0.00 0.00 0.00 0.00 51.96 50.55 2k1g s ALA 155 Cb -0.03 -0.71 0.03 0.00 0.00 0.00 0.00 23.12 22.41 2k1g s ALA 155 CO -0.01 0.60 0.02 1.03 0.00 0.00 0.00 175.76 177.40 2k1g s ARG 156 N -2.14 0.30 -0.48 0.00 0.52 0.94 0.31 118.95 118.41 2k1g s ARG 156 Ca 0.19 0.18 -0.23 0.00 -0.52 0.00 0.00 55.73 55.35 2k1g s ARG 156 Cb -0.11 -0.68 0.03 0.00 0.52 0.00 0.00 34.95 34.72 2k1g s ARG 156 CO 0.11 -0.26 0.83 1.03 0.02 0.00 0.00 175.30 177.03 2k1g s ARG 157 N 1.74 3.38 0.00 3.54 0.52 0.27 -0.79 118.95 127.62 2k1g s ARG 157 Ca 0.00 -0.17 0.24 0.00 -0.52 0.00 0.00 55.73 55.29 2k1g s ARG 157 Cb -0.13 -3.98 0.28 0.00 0.52 0.00 0.00 34.95 31.65 2k1g s ARG 157 CO -0.03 -1.23 1.31 1.33 0.02 0.00 0.00 175.30 176.70 2k1g n VAL 158 N 6.15 0.07 -1.92 3.52 0.24 -1.26 -1.62 118.33 123.52 2k1g n VAL 158 Ca 0.02 -0.52 -0.37 0.00 -2.04 0.00 0.00 64.34 61.43 2k1g n VAL 158 Cb 0.48 1.36 -0.03 0.00 -1.47 0.00 0.00 33.84 34.18 2k1g n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2k1g s LEU 159 N -1.92 3.30 0.00 1.34 1.43 -1.26 -4.94 118.68 116.62 2k1g s LEU 159 Ca 0.30 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.84 2k1g s LEU 159 Cb 0.20 -2.52 0.08 0.00 0.03 0.00 0.00 46.19 43.98 2k1g s LEU 159 CO 0.30 -2.54 0.50 -0.24 0.23 0.00 0.00 176.35 174.60 2k1g n SER 160 N 13.67 0.50 -3.53 2.29 2.88 -1.26 -5.12 113.62 123.05 2k1g n SER 160 Ca 0.26 -1.46 -0.24 0.00 -1.33 0.00 0.00 58.87 56.09 2k1g n SER 160 Cb 0.52 -0.34 -0.14 0.00 -0.75 0.00 0.00 64.21 63.50 2k1g n SER 160 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2k1g s ARG 161 N -3.81 0.17 0.00 -1.46 6.06 -1.26 -5.09 118.95 113.56 2k1g s ARG 161 Ca 0.32 -0.17 0.00 0.00 -2.50 0.00 0.00 55.73 53.38 2k1g s ARG 161 Cb -0.02 -1.32 0.00 0.00 0.06 0.00 0.00 34.95 33.67 2k1g s ARG 161 CO 0.21 -0.82 0.00 0.43 -2.50 0.00 0.00 175.30 172.62 2k1g n SER 162 N 5.28 0.00 -4.73 -2.12 7.64 -1.26 -5.02 113.62 113.41 2k1g n SER 162 Ca -0.06 -0.98 -0.42 0.00 1.01 0.00 0.00 58.87 58.43 2k1g n SER 162 Cb 0.47 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.63 2k1g n SER 162 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2k1g s LEU 163 N 0.00 4.41 0.00 -3.43 0.20 -1.26 -5.30 118.68 113.30 2k1g s LEU 163 Ca 0.00 2.19 0.00 0.00 0.69 0.00 0.00 54.13 57.01 2k1g s LEU 163 Cb 0.00 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 42.17 2k1g s LEU 163 CO 0.00 -0.46 0.45 -0.62 -0.29 0.00 0.00 176.35 175.43