#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1g n ASN 37 N 0.00 -0.52 -4.56 7.83 3.02 -1.26 -4.70 115.26 115.07 2k1g n ASN 37 Ca 0.00 1.14 -0.17 0.00 -0.03 0.00 0.00 54.58 55.52 2k1g n ASN 37 Cb 0.00 -1.02 -0.07 0.00 -0.61 0.00 0.00 39.78 38.09 2k1g n ASN 37 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2k1g s VAL 38 N -0.83 3.14 -0.03 2.41 1.01 -1.26 -4.93 120.40 119.91 2k1g s VAL 38 Ca 0.67 -0.12 -0.11 0.00 0.00 0.00 0.00 61.98 62.43 2k1g s VAL 38 Cb -0.93 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.07 2k1g s VAL 38 CO 0.56 -0.29 0.30 -0.62 0.00 0.00 0.00 175.10 175.06 2k1g s ASP 39 N 9.99 6.63 0.11 3.32 2.15 -1.26 -5.03 116.67 132.58 2k1g s ASP 39 Ca 0.86 0.74 -0.27 0.00 0.43 0.00 0.00 52.55 54.32 2k1g s ASP 39 Cb -0.11 -2.17 -0.09 0.00 -0.30 0.00 0.00 42.92 40.25 2k1g s ASP 39 CO 0.06 0.33 1.65 0.58 -0.17 0.00 0.00 175.17 177.62 2k1g h VAL 40 N 3.65 0.50 -0.63 1.11 2.07 -1.92 -0.78 116.25 120.25 2k1g h VAL 40 Ca -0.52 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2k1g h VAL 40 Cb 1.22 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 2k1g h VAL 40 CO 0.61 0.00 0.35 0.50 0.02 0.00 0.00 177.57 179.05 2k1g h LYS 41 N -0.43 0.87 -0.77 1.57 3.64 -1.93 -1.01 116.57 118.51 2k1g h LYS 41 Ca 0.02 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 2k1g h LYS 41 Cb 0.44 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.03 2k1g h LYS 41 CO -0.12 0.65 0.46 0.77 -2.27 0.00 0.00 179.45 178.95 2k1g h SER 42 N 0.85 0.72 -0.19 4.20 0.02 -1.89 -1.68 113.55 115.58 2k1g h SER 42 Ca 0.22 0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.04 2k1g h SER 42 Cb 0.03 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.44 2k1g h SER 42 CO -0.04 0.47 -0.48 0.03 -1.14 0.00 0.00 176.83 175.67 2k1g h ARG 43 N 0.86 0.66 -0.20 3.45 -0.00 -0.68 -1.15 114.38 117.31 2k1g h ARG 43 Ca 0.34 -0.46 0.02 0.00 -0.50 0.00 0.00 59.98 59.38 2k1g h ARG 43 Cb 0.16 0.07 -0.02 0.00 0.00 0.00 0.00 29.97 30.18 2k1g h ARG 43 CO -0.17 1.08 0.07 0.82 0.00 0.00 0.00 179.97 181.76 2k1g h ILE 44 N 0.35 0.95 -0.48 2.04 2.04 -1.00 -1.63 117.51 119.78 2k1g h ILE 44 Ca -0.01 -0.06 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 2k1g h ILE 44 Cb 1.09 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2k1g h ILE 44 CO 0.10 0.03 0.08 0.24 0.00 0.00 0.00 178.15 178.61 2k1g h MET 45 N 0.16 0.73 -0.69 2.37 2.86 -1.35 -1.82 114.93 117.20 2k1g h MET 45 Ca 0.09 -0.15 0.05 0.00 -2.06 0.00 0.00 59.70 57.62 2k1g h MET 45 Cb 0.06 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 2k1g h MET 45 CO -0.09 0.69 0.40 0.22 1.06 0.00 0.00 176.91 179.19 2k1g h ASP 46 N 0.71 0.62 -0.13 1.22 3.58 -0.54 -0.42 116.42 121.46 2k1g h ASP 46 Ca 0.15 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.54 2k1g h ASP 46 Cb 0.31 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.25 2k1g h ASP 46 CO 0.00 0.41 -0.24 -0.61 -2.88 0.00 0.00 179.24 175.93 2k1g h GLN 47 N 0.76 0.39 -0.92 0.28 5.75 -1.13 -3.28 115.11 116.96 2k1g h GLN 47 Ca 0.30 -0.25 0.12 0.00 -0.15 0.00 0.00 58.65 58.67 2k1g h GLN 47 Cb 0.14 0.03 -0.08 0.00 1.07 0.00 0.00 27.48 28.63 2k1g h GLN 47 CO -0.16 0.84 0.55 -0.92 -2.65 0.00 0.00 178.83 176.49 2k1g h TYR 48 N -0.01 0.99 -0.04 3.99 3.20 -0.94 -0.90 116.97 123.25 2k1g h TYR 48 Ca 0.01 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.92 2k1g h TYR 48 Cb 0.82 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 38.79 2k1g h TYR 48 CO 0.10 0.38 0.27 0.00 -1.64 0.00 0.00 178.16 177.26 2k1g h ALA 49 N 1.51 1.36 0.00 1.82 0.00 -1.14 0.17 119.26 122.98 2k1g h ALA 49 Ca 0.46 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.19 2k1g h ALA 49 Cb 0.47 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2k1g h ALA 49 CO -0.27 -0.29 -1.73 -3.47 0.00 0.00 0.00 179.25 173.49 2k1g n ASP 50 N -3.05 0.52 -0.82 0.00 2.03 -0.35 -4.37 116.55 110.51 2k1g n ASP 50 Ca -0.01 0.23 0.09 0.00 0.52 0.00 0.00 54.79 55.61 2k1g n ASP 50 Cb 0.34 0.68 0.13 0.00 -0.72 0.00 0.00 41.12 41.55 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 -2.74 0.24 -1.53 -0.67 7.02 0.38 -4.97 117.44 115.17 2k1g n TRP 51 Ca -0.14 -0.16 -0.39 0.00 -1.02 0.00 0.00 57.50 55.79 2k1g n TRP 51 Cb 0.86 -0.00 -0.06 0.00 -2.42 0.00 0.00 31.31 29.68 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 1.04 0.89 -0.20 -0.99 5.02 -0.02 -1.45 118.16 122.45 2k1g n LYS 52 Ca 0.13 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.48 2k1g n LYS 52 Cb 0.47 -2.93 0.00 0.00 -0.02 0.00 0.00 35.03 32.56 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 6.15 1.00 3.72 0.72 0.00 -0.94 -5.02 105.19 110.82 2k1g n GLY 53 Ca 0.43 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.00 4.72 0.96 1.61 1.01 -0.53 -4.80 120.40 121.38 2k1g s VAL 54 Ca 0.00 2.02 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 2k1g s VAL 54 Cb 0.00 -4.30 0.17 0.00 0.00 0.00 0.00 36.38 32.25 2k1g s VAL 54 CO 0.00 0.24 1.10 0.00 0.00 0.00 0.00 175.10 176.44 2k1g s ARG 55 N 0.55 0.68 0.01 2.72 1.70 -1.26 -1.08 118.95 122.27 2k1g s ARG 55 Ca 0.49 1.20 -0.15 0.00 -0.47 0.00 0.00 55.73 56.79 2k1g s ARG 55 Cb -0.22 -1.71 -0.06 0.00 -0.57 0.00 0.00 34.95 32.39 2k1g s ARG 55 CO 0.28 -2.75 0.42 -0.47 -1.08 0.00 0.00 175.30 171.71 2k1g s TYR 56 N -2.68 3.73 -0.00 5.89 6.14 -1.26 -0.75 117.35 128.42 2k1g s TYR 56 Ca 0.66 1.02 0.01 0.00 0.64 0.00 0.00 57.07 59.40 2k1g s TYR 56 Cb -0.22 -2.30 -0.00 0.00 0.42 0.00 0.00 41.96 39.86 2k1g s TYR 56 CO 0.59 0.64 -0.04 0.50 0.64 0.00 0.00 175.55 177.88 2k1g s ARG 57 N -1.11 0.31 -0.75 4.97 3.52 -0.17 -4.50 118.95 121.22 2k1g s ARG 57 Ca 0.25 -0.13 -0.26 0.00 -0.13 0.00 0.00 55.73 55.46 2k1g s ARG 57 Cb -0.17 -0.31 0.00 0.00 -1.56 0.00 0.00 34.95 32.91 2k1g s ARG 57 CO 0.14 0.07 1.61 -0.51 -0.81 0.00 0.00 175.30 175.81 2k1g s LEU 58 N -0.03 3.25 0.00 -0.88 1.02 -1.26 -2.43 118.68 118.35 2k1g s LEU 58 Ca 0.01 -0.31 0.00 0.00 0.02 0.00 0.00 54.13 53.85 2k1g s LEU 58 Cb -0.02 -2.55 0.00 0.00 0.02 0.00 0.00 46.19 43.64 2k1g s LEU 58 CO -0.00 -2.13 0.00 0.61 0.02 0.00 0.00 176.35 174.85 2k1g n GLY 59 N 5.89 0.61 2.83 -3.19 0.00 -1.26 -4.97 105.19 105.10 2k1g n GLY 59 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 2k1g n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1g n GLY 60 N -2.46 4.22 3.59 -0.02 0.00 -1.24 -4.97 105.19 104.31 2k1g n GLY 60 Ca 0.00 -2.64 -0.42 0.00 0.00 0.00 0.00 46.02 42.96 2k1g n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1g s SER 61 N -1.56 5.75 0.18 1.61 0.15 -1.26 -3.91 113.70 114.66 2k1g s SER 61 Ca 0.28 1.09 -0.23 0.00 0.70 0.00 0.00 55.95 57.79 2k1g s SER 61 Cb -0.00 -2.53 0.06 0.00 -1.71 0.00 0.00 66.02 61.84 2k1g s SER 61 CO -0.13 -1.86 0.95 0.28 1.20 0.00 0.00 173.24 173.69 2k1g s THR 62 N 7.39 0.00 0.40 6.45 -1.32 0.62 -4.96 115.64 124.22 2k1g s THR 62 Ca 0.77 -0.69 0.36 0.00 -1.21 0.00 0.00 61.69 60.92 2k1g s THR 62 Cb -0.20 -2.26 0.39 0.00 -1.51 0.00 0.00 72.50 68.92 2k1g s THR 62 CO 0.31 0.00 2.15 0.11 -2.21 0.00 0.00 174.62 174.98 2k1g h LYS 63 N 2.00 0.00 -0.24 7.08 6.56 -1.97 -1.49 116.57 128.51 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 1.23 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.89 2k1g h LYS 63 CO 0.29 0.03 0.00 1.63 -2.06 0.00 0.00 179.45 179.34 2k1g n LYS 64 N -3.24 1.60 0.00 3.15 4.76 -1.26 -4.70 118.16 118.46 2k1g n LYS 64 Ca -0.01 -0.92 0.00 0.00 -2.87 0.00 0.00 58.31 54.50 2k1g n LYS 64 Cb 0.20 -1.22 0.00 0.00 -1.84 0.00 0.00 35.03 32.17 2k1g n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1g n GLY 65 N 0.93 4.53 3.08 0.72 0.00 -0.56 -4.92 105.19 108.97 2k1g n GLY 65 Ca 0.10 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.29 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 -0.60 0.05 0.37 -0.61 2.07 0.07 -0.27 121.20 122.27 2k1g s ILE 66 Ca 0.00 -0.45 -0.00 0.00 -1.41 0.00 0.00 60.65 58.79 2k1g s ILE 66 Cb 0.00 -0.36 -0.03 0.00 0.13 0.00 0.00 42.46 42.20 2k1g s ILE 66 CO 0.00 -0.25 0.59 1.51 -1.91 0.00 0.00 174.94 174.88 2k1g s ASP 67 N -0.86 6.28 0.10 4.50 -4.77 -1.02 -1.00 116.67 119.89 2k1g s ASP 67 Ca -0.10 0.53 -0.28 0.00 -3.30 0.00 0.00 52.55 49.41 2k1g s ASP 67 Cb -0.05 -2.06 -0.12 0.00 -1.09 0.00 0.00 42.92 39.59 2k1g s ASP 67 CO 0.01 -0.35 1.65 0.00 0.70 0.00 0.00 175.17 177.18 2k1g h SER 69 N -0.53 0.78 -0.53 0.00 4.64 -1.86 -2.23 113.55 113.82 2k1g h SER 69 Ca -0.01 -0.01 0.06 0.00 -0.47 0.00 0.00 61.79 61.37 2k1g h SER 69 Cb 0.48 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 2k1g h SER 69 CO -0.04 0.55 0.36 1.23 -0.87 0.00 0.00 176.83 178.05 2k1g h GLY 70 N 0.93 0.58 0.52 -0.77 0.00 -1.59 -1.50 103.07 101.25 2k1g h GLY 70 Ca 0.29 -0.19 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2k1g h GLY 70 CO -0.10 0.14 -0.10 -2.75 0.00 0.00 0.00 176.54 173.73 2k1g h PHE 71 N 0.46 0.17 -0.47 5.60 3.57 -0.16 -2.73 116.94 123.39 2k1g h PHE 71 Ca 0.23 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.64 2k1g h PHE 71 Cb 0.33 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.02 2k1g h PHE 71 CO -0.00 0.70 0.20 -0.24 -2.23 0.00 0.00 178.31 176.74 2k1g h VAL 72 N -0.41 1.20 -0.48 1.41 3.04 -1.18 -1.17 116.25 118.66 2k1g h VAL 72 Ca -0.00 -0.63 -0.01 0.00 -1.01 0.00 0.00 66.70 65.06 2k1g h VAL 72 Cb 0.70 0.74 -0.02 0.00 -2.01 0.00 0.00 31.29 30.69 2k1g h VAL 72 CO 0.02 0.24 0.28 0.06 -1.01 0.00 0.00 177.57 177.16 2k1g h GLN 73 N 0.62 0.66 -0.07 4.17 -0.00 -1.38 -2.69 115.11 116.42 2k1g h GLN 73 Ca 0.16 -0.07 0.02 0.00 -0.00 0.00 0.00 58.65 58.76 2k1g h GLN 73 Cb 0.18 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.48 27.51 2k1g h GLN 73 CO -0.01 0.50 -0.05 0.00 -0.00 0.00 0.00 178.83 179.26 2k1g h ARG 74 N 0.64 -0.06 -0.61 0.06 3.08 -1.26 -2.18 114.38 114.05 2k1g h ARG 74 Ca 0.17 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.32 2k1g h ARG 74 Cb 0.01 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.00 2k1g h ARG 74 CO -0.03 -0.04 0.21 1.15 -1.07 0.00 0.00 179.97 180.19 2k1g h THR 75 N -0.06 0.74 -0.16 2.04 2.02 -1.03 0.12 112.91 116.58 2k1g h THR 75 Ca 0.05 -0.13 -0.20 0.00 0.77 0.00 0.00 66.41 66.90 2k1g h THR 75 Cb 0.13 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2k1g h THR 75 CO -0.11 0.07 -0.71 -0.26 0.37 0.00 0.00 175.52 174.88 2k1g h PHE 76 N 0.38 0.92 0.04 3.16 -1.00 -1.36 -2.28 116.94 116.81 2k1g h PHE 76 Ca 0.31 -0.38 -0.21 0.00 2.81 0.00 0.00 57.97 60.50 2k1g h PHE 76 Cb 0.40 -0.15 0.02 0.00 3.61 0.00 0.00 35.95 39.83 2k1g h PHE 76 CO -0.18 1.19 -0.83 0.07 -1.61 0.00 0.00 178.31 176.95 2k1g h ARG 77 N 0.49 0.49 0.00 1.51 0.11 -1.04 0.32 114.38 116.26 2k1g h ARG 77 Ca -0.03 -0.58 -0.09 0.00 0.10 0.00 0.00 59.98 59.38 2k1g h ARG 77 Cb 1.31 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.56 2k1g h ARG 77 CO 0.14 1.22 -0.44 0.93 0.10 0.00 0.00 179.97 181.92 2k1g h GLU 78 N 0.01 0.00 0.00 0.08 5.08 -0.87 -1.54 114.58 117.34 2k1g h GLU 78 Ca -0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2k1g h GLU 78 Cb 1.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.80 2k1g h GLU 78 CO 0.16 0.44 -0.70 1.04 -1.00 0.00 0.00 179.01 178.95 2k1g n GLN 79 N -3.51 0.44 -0.00 2.33 1.13 -0.86 -4.77 117.38 112.13 2k1g n GLN 79 Ca -0.00 0.31 -0.06 0.00 -1.94 0.00 0.00 57.00 55.31 2k1g n GLN 79 Cb 0.56 -1.42 -0.12 0.00 0.11 0.00 0.00 30.24 29.37 2k1g n GLN 79 CO 0.00 0.00 0.00 1.19 -1.44 0.00 0.00 177.06 176.81 2k1g n PHE 80 N -4.26 1.01 -0.88 1.08 3.72 -0.14 -4.98 117.46 113.00 2k1g n PHE 80 Ca -0.10 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 2k1g n PHE 80 Cb 0.36 -1.15 0.00 0.00 -0.94 0.00 0.00 39.48 37.75 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 1.50 0.93 3.89 1.37 0.00 0.96 -4.96 105.19 108.87 2k1g n GLY 81 Ca -0.14 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.05 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 3.40 -0.35 0.99 2.96 -0.69 -4.85 118.68 120.13 2k1g s LEU 82 Ca 0.00 1.20 -0.14 0.00 -0.22 0.00 0.00 54.13 54.97 2k1g s LEU 82 Cb 0.00 -4.21 -0.01 0.00 0.50 0.00 0.00 46.19 42.47 2k1g s LEU 82 CO 0.00 -0.75 0.31 -1.83 -1.32 0.00 0.00 176.35 172.75 2k1g s GLU 83 N -4.99 3.46 0.01 1.98 -1.05 -1.26 -3.81 118.70 113.04 2k1g s GLU 83 Ca 0.52 -0.59 0.00 0.00 -0.15 0.00 0.00 54.97 54.75 2k1g s GLU 83 Cb -0.11 -3.83 -0.01 0.00 -0.44 0.00 0.00 34.13 29.74 2k1g s GLU 83 CO 0.50 -0.53 -0.02 -0.51 0.95 0.00 0.00 175.26 175.66 2k1g s LEU 84 N 1.86 2.12 0.00 1.83 1.43 -1.26 -5.09 118.68 119.58 2k1g s LEU 84 Ca 0.09 -0.25 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2k1g s LEU 84 Cb -0.17 0.03 0.03 0.00 0.03 0.00 0.00 46.19 46.11 2k1g s LEU 84 CO 0.11 -0.15 0.18 -0.81 0.23 0.00 0.00 176.35 175.91 2k1g n PRO 85 N 2.33 0.13 0.12 1.29 -0.04 -1.26 -4.94 135.00 132.63 2k1g n PRO 85 Ca -0.18 -0.36 0.12 0.00 -0.04 0.00 0.00 63.50 63.04 2k1g n PRO 85 Cb 0.57 -0.16 0.04 0.00 -0.04 0.00 0.00 33.50 33.92 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 0.00 -5.18 0.54 2.47 -2.00 -3.44 114.38 106.78 2k1g h ARG 86 Ca -0.06 0.00 -0.63 0.00 -1.26 0.00 0.00 59.98 58.03 2k1g h ARG 86 Cb 0.18 0.00 -0.20 0.00 -1.65 0.00 0.00 29.97 28.30 2k1g h ARG 86 CO 0.05 0.00 -0.62 0.45 0.56 0.00 0.00 179.97 180.41 2k1g s SER 87 N -5.35 5.19 0.27 7.04 0.15 -1.26 -4.28 113.70 115.45 2k1g s SER 87 Ca 0.01 -0.08 0.01 0.00 0.70 0.00 0.00 55.95 56.59 2k1g s SER 87 Cb 0.09 -1.89 0.59 0.00 -1.71 0.00 0.00 66.02 63.10 2k1g s SER 87 CO 0.77 0.10 1.77 0.74 1.20 0.00 0.00 173.24 177.82 2k1g h THR 88 N 5.18 0.73 -0.65 6.45 2.02 -1.89 -2.19 112.91 122.57 2k1g h THR 88 Ca -0.36 -0.23 0.14 0.00 0.77 0.00 0.00 66.41 66.74 2k1g h THR 88 Cb 1.18 -0.01 -0.04 0.00 -1.74 0.00 0.00 68.15 67.54 2k1g h THR 88 CO 0.64 0.12 0.44 1.88 0.37 0.00 0.00 175.52 178.97 2k1g h TYR 89 N 0.67 0.29 0.22 3.16 -1.99 -1.94 -0.74 116.97 116.65 2k1g h TYR 89 Ca 0.50 0.01 -0.32 0.00 2.00 0.00 0.00 58.73 60.91 2k1g h TYR 89 Cb 0.71 -0.09 0.03 0.00 2.00 0.00 0.00 36.73 39.38 2k1g h TYR 89 CO -0.07 0.12 -1.43 0.93 -0.00 0.00 0.00 178.16 177.71 2k1g h GLU 90 N 0.26 0.47 -0.33 4.88 4.39 -1.83 -3.32 114.58 119.11 2k1g h GLU 90 Ca 0.31 -0.81 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2k1g h GLU 90 Cb 0.87 0.30 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2k1g h GLU 90 CO -0.07 1.39 0.11 1.96 -1.16 0.00 0.00 179.01 181.24 2k1g h GLN 91 N 0.13 0.46 -0.96 2.33 4.20 -1.04 -2.28 115.11 117.94 2k1g h GLN 91 Ca -0.23 -0.06 0.19 0.00 0.06 0.00 0.00 58.65 58.61 2k1g h GLN 91 Cb 2.12 -0.09 -0.09 0.00 0.30 0.00 0.00 27.48 29.73 2k1g h GLN 91 CO 0.26 0.40 0.61 1.96 -0.67 0.00 0.00 178.83 181.38 2k1g h GLN 92 N 0.46 0.62 -0.00 1.46 4.20 -1.46 -0.26 115.11 120.13 2k1g h GLN 92 Ca 0.11 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.79 2k1g h GLN 92 Cb 0.12 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2k1g h GLN 92 CO -0.01 0.41 -0.51 0.39 -0.67 0.00 0.00 178.83 178.43 2k1g n GLU 93 N -4.63 0.03 0.04 1.46 -0.58 -0.87 -4.01 120.64 112.07 2k1g n GLU 93 Ca 0.21 -0.02 -0.18 0.00 -0.42 0.00 0.00 57.16 56.75 2k1g n GLU 93 Cb 0.60 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.83 2k1g n GLU 93 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2k1g h MET 94 N 0.05 0.25 -6.53 3.49 2.86 -0.92 -3.47 114.93 110.66 2k1g h MET 94 Ca 0.00 -0.43 -0.52 0.00 -2.06 0.00 0.00 59.70 56.69 2k1g h MET 94 Cb 0.50 0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 2k1g h MET 94 CO 0.00 1.10 -0.06 0.20 1.06 0.00 0.00 176.91 179.21 2k1g s GLY 95 N -5.21 2.21 0.33 8.32 0.00 -0.72 -4.77 107.32 107.49 2k1g s GLY 95 Ca -0.14 -0.25 -0.28 0.00 0.00 0.00 0.00 44.72 44.05 2k1g s GLY 95 CO 0.82 -0.10 1.18 0.54 0.00 0.00 0.00 173.10 175.55 2k1g s LYS 96 N -3.01 4.37 -0.03 2.90 -0.14 0.15 -4.55 119.74 119.44 2k1g s LYS 96 Ca 0.48 1.94 -0.30 0.00 -1.36 0.00 0.00 55.97 56.73 2k1g s LYS 96 Cb -0.11 -2.99 -0.03 0.00 -1.68 0.00 0.00 37.83 33.02 2k1g s LYS 96 CO 0.22 -0.08 1.10 -1.12 -0.76 0.00 0.00 175.35 174.71 2k1g s SER 97 N -0.84 7.19 0.15 2.83 0.01 -1.26 -1.68 113.70 120.09 2k1g s SER 97 Ca 0.50 1.75 -0.07 0.00 1.31 0.00 0.00 55.95 59.44 2k1g s SER 97 Cb -0.34 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.31 2k1g s SER 97 CO 0.44 -0.44 0.21 0.68 0.41 0.00 0.00 173.24 174.54 2k1g s VAL 98 N 1.61 0.09 0.42 3.43 -7.23 -0.66 -5.00 120.40 113.05 2k1g s VAL 98 Ca 0.54 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 59.21 2k1g s VAL 98 Cb -0.23 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 34.89 2k1g s VAL 98 CO 0.24 -0.39 0.11 -0.24 -0.31 0.00 0.00 175.10 174.51 2k1g n SER 99 N -0.16 2.89 -0.22 4.85 2.88 -1.26 -3.57 113.62 119.03 2k1g n SER 99 Ca -0.08 -2.70 0.09 0.00 -1.33 0.00 0.00 58.87 54.85 2k1g n SER 99 Cb 0.63 0.18 0.36 0.00 -0.75 0.00 0.00 64.21 64.63 2k1g n SER 99 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2k1g h ARG 100 N 0.00 0.72 0.00 -1.46 -0.00 -1.99 0.21 114.38 111.86 2k1g h ARG 100 Ca -0.32 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.98 59.07 2k1g h ARG 100 Cb 1.02 -0.16 -0.01 0.00 0.00 0.00 0.00 29.97 30.82 2k1g h ARG 100 CO 0.52 0.48 -0.22 0.66 0.00 0.00 0.00 179.97 181.40 2k1g h SER 101 N 0.74 0.00 -0.01 7.04 4.64 -2.03 -3.12 113.55 120.80 2k1g h SER 101 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2k1g h SER 101 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 2k1g h SER 101 CO -0.14 0.22 -0.67 0.59 -0.87 0.00 0.00 176.83 175.96 2k1g n ASN 102 N -4.15 1.58 -4.69 4.97 3.02 -0.00 -5.00 115.26 110.99 2k1g n ASN 102 Ca -0.02 -1.29 -0.44 0.00 -0.03 0.00 0.00 54.58 52.80 2k1g n ASN 102 Cb 0.29 0.69 -0.03 0.00 -0.61 0.00 0.00 39.78 40.11 2k1g n ASN 102 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2k1g n LEU 103 N -0.62 3.51 -4.60 3.41 4.77 -0.79 -4.90 117.00 117.79 2k1g n LEU 103 Ca 0.07 1.09 -0.28 0.00 -0.03 0.00 0.00 56.01 56.86 2k1g n LEU 103 Cb 0.40 -1.49 -0.09 0.00 -2.33 0.00 0.00 43.42 39.91 2k1g n LEU 103 CO 0.33 -0.12 -0.24 -0.13 -1.33 0.00 0.00 177.39 175.90 2k1g s ARG 104 N 0.70 1.98 -0.30 3.23 0.52 -1.26 -5.05 118.95 118.77 2k1g s ARG 104 Ca 0.75 -2.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.47 2k1g s ARG 104 Cb -0.60 -1.09 -0.02 0.00 0.52 0.00 0.00 34.95 33.76 2k1g s ARG 104 CO 0.38 -0.34 1.74 0.99 0.02 0.00 0.00 175.30 178.10 2k1g s THR 105 N -3.05 3.53 0.00 0.02 2.01 -1.26 -2.45 115.64 114.44 2k1g s THR 105 Ca 0.21 0.56 0.00 0.00 0.31 0.00 0.00 61.69 62.77 2k1g s THR 105 Cb 0.04 -3.66 0.00 0.00 0.01 0.00 0.00 72.50 68.89 2k1g s THR 105 CO 0.11 -0.38 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 2k1g n GLY 106 N 5.21 1.43 3.72 4.40 0.00 -0.29 -4.83 105.19 114.83 2k1g n GLY 106 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 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 -1.47 6.58 -0.41 1.61 1.11 -1.03 -4.45 116.67 118.62 2k1g s ASP 107 Ca 0.00 2.63 -0.23 0.00 0.18 0.00 0.00 52.55 55.13 2k1g s ASP 107 Cb 0.00 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.41 2k1g s ASP 107 CO 0.00 -0.82 0.78 -0.76 1.18 0.00 0.00 175.17 175.55 2k1g s LEU 108 N 1.01 4.18 -0.19 1.23 1.43 -0.43 -1.07 118.68 124.84 2k1g s LEU 108 Ca 0.69 0.13 -0.13 0.00 -1.03 0.00 0.00 54.13 53.79 2k1g s LEU 108 Cb -0.44 -2.99 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 2k1g s LEU 108 CO 0.32 -0.82 0.28 0.68 0.23 0.00 0.00 176.35 177.05 2k1g s VAL 109 N 3.19 5.30 -0.04 -1.59 -7.23 0.16 -0.84 120.40 119.35 2k1g s VAL 109 Ca 0.31 0.50 -0.06 0.00 -1.81 0.00 0.00 61.98 60.92 2k1g s VAL 109 Cb -0.13 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.15 2k1g s VAL 109 CO 0.20 0.35 0.21 -0.76 -0.31 0.00 0.00 175.10 174.79 2k1g s LEU 110 N 0.76 4.38 -0.05 1.32 1.43 0.36 -0.63 118.68 126.25 2k1g s LEU 110 Ca 0.15 0.49 0.02 0.00 -1.03 0.00 0.00 54.13 53.76 2k1g s LEU 110 Cb -0.13 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.63 2k1g s LEU 110 CO 0.04 0.31 -0.10 -0.36 0.23 0.00 0.00 176.35 176.48 2k1g s PHE 111 N -1.21 1.13 -1.15 0.29 0.08 0.35 -0.37 117.98 117.09 2k1g s PHE 111 Ca 0.23 -0.35 -0.20 0.00 0.12 0.00 0.00 56.93 56.74 2k1g s PHE 111 Cb -0.13 -0.84 0.07 0.00 -0.57 0.00 0.00 43.02 41.55 2k1g s PHE 111 CO 0.13 -0.19 1.56 1.03 -0.10 0.00 0.00 175.22 177.65 2k1g s ARG 112 N 0.53 3.81 -0.23 0.44 0.52 0.49 -1.16 118.95 123.34 2k1g s ARG 112 Ca -0.10 -1.66 -0.10 0.00 -0.52 0.00 0.00 55.73 53.36 2k1g s ARG 112 Cb -0.13 -5.40 -0.05 0.00 0.52 0.00 0.00 34.95 29.90 2k1g s ARG 112 CO 0.02 -2.18 0.14 0.00 0.02 0.00 0.00 175.30 173.30 2k1g s ALA 113 N 4.27 3.54 -2.00 2.13 0.00 -0.11 -4.89 121.76 124.70 2k1g s ALA 113 Ca 0.49 -0.90 0.11 0.00 0.00 0.00 0.00 51.96 51.66 2k1g s ALA 113 Cb 0.01 -2.26 0.67 0.00 0.00 0.00 0.00 23.12 21.54 2k1g s ALA 113 CO -0.01 -0.19 1.09 0.41 0.00 0.00 0.00 175.76 177.06 2k1g n GLY 114 N 4.28 -0.40 0.03 0.00 0.00 -1.26 0.69 105.19 108.53 2k1g n GLY 114 Ca -0.15 -0.07 0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.94 1.40 0.00 1.61 7.64 -1.26 -4.72 113.62 117.35 2k1g n SER 115 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 2k1g n SER 115 Cb 0.04 1.42 0.00 0.00 -1.01 0.00 0.00 64.21 64.65 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 -2.22 0.00 0.00 0.44 -2.24 -0.95 -5.09 114.28 104.22 2k1g n THR 116 Ca -0.10 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2k1g n THR 116 Cb 0.61 1.64 0.00 0.00 -2.10 0.00 0.00 70.33 70.48 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 0.03 1.76 3.27 3.38 0.00 0.22 -4.52 105.19 109.32 2k1g n GLY 117 Ca 0.00 0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.61 2k1g n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1g s ARG 118 N 0.00 3.08 0.32 1.61 3.00 -1.26 -0.94 118.95 124.75 2k1g s ARG 118 Ca 0.00 -2.13 -0.12 0.00 0.00 0.00 0.00 55.73 53.49 2k1g s ARG 118 Cb 0.00 -4.20 -0.08 0.00 0.00 0.00 0.00 34.95 30.67 2k1g s ARG 118 CO 0.00 -1.27 0.68 -1.58 0.00 0.00 0.00 175.30 173.13 2k1g s HIS 119 N 0.77 3.42 -0.01 -0.53 2.46 -0.31 -4.84 115.29 116.25 2k1g s HIS 119 Ca 0.11 1.03 0.02 0.00 0.47 0.00 0.00 55.06 56.70 2k1g s HIS 119 Cb -0.20 -2.40 -0.00 0.00 -0.13 0.00 0.00 32.58 29.84 2k1g s HIS 119 CO -0.03 0.10 -0.08 0.54 -2.47 0.00 0.00 174.74 172.79 2k1g s VAL 120 N -2.05 0.66 0.06 0.89 0.11 -1.26 -0.50 120.40 118.32 2k1g s VAL 120 Ca 0.51 -0.34 0.04 0.00 -2.93 0.00 0.00 61.98 59.26 2k1g s VAL 120 Cb -0.11 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 2k1g s VAL 120 CO 0.23 0.19 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.24 2k1g s GLY 121 N -0.10 0.76 -0.52 6.54 0.00 0.20 -4.65 107.32 109.55 2k1g s GLY 121 Ca 0.02 -0.93 -0.22 0.00 0.00 0.00 0.00 44.72 43.59 2k1g s GLY 121 CO -0.00 -0.96 0.81 -0.42 0.00 0.00 0.00 173.10 172.52 2k1g s ILE 122 N -1.29 4.60 -0.16 0.90 1.01 0.23 -0.66 121.20 125.82 2k1g s ILE 122 Ca -0.04 0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2k1g s ILE 122 Cb -0.10 -4.42 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2k1g s ILE 122 CO 0.02 -0.95 1.82 -0.47 0.00 0.00 0.00 174.94 175.36 2k1g s TYR 123 N 3.39 1.73 -0.19 3.97 5.04 -0.24 -1.52 117.35 129.54 2k1g s TYR 123 Ca 0.25 0.33 0.10 0.00 -2.44 0.00 0.00 57.07 55.31 2k1g s TYR 123 Cb -0.15 -4.02 -0.19 0.00 0.35 0.00 0.00 41.96 37.95 2k1g s TYR 123 CO 0.17 -3.74 -0.04 0.44 -1.34 0.00 0.00 175.55 171.04 2k1g n ILE 124 N 6.50 1.21 -3.32 3.14 -5.35 -0.46 -1.13 119.36 119.94 2k1g n ILE 124 Ca 0.21 -0.64 0.03 0.00 -0.27 0.00 0.00 62.75 62.09 2k1g n ILE 124 Cb 0.44 -0.82 -0.05 0.00 -1.74 0.00 0.00 39.64 37.48 2k1g n ILE 124 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 2k1g s GLY 125 N -5.50 0.44 0.00 3.28 0.00 -1.11 -4.65 107.32 99.78 2k1g s GLY 125 Ca -0.16 3.77 0.00 0.00 0.00 0.00 0.00 44.72 48.33 2k1g s GLY 125 CO 0.63 3.20 0.00 -2.01 0.00 0.00 0.00 173.10 174.92 2k1g n ASN 126 N 4.04 0.00 0.00 1.64 2.85 -1.26 -0.85 115.26 121.68 2k1g n ASN 126 Ca -0.10 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2k1g n ASN 126 Cb 0.56 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.58 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2k1g n ASN 127 N 2.56 0.08 -4.80 1.20 3.02 -1.26 -4.99 115.26 111.08 2k1g n ASN 127 Ca 0.00 -0.38 -0.39 0.00 -0.03 0.00 0.00 54.58 53.78 2k1g n ASN 127 Cb 0.00 0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.35 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2k1g s GLN 128 N -0.24 4.37 -0.14 3.52 -0.21 -0.03 -1.34 119.66 125.59 2k1g s GLN 128 Ca 0.00 0.93 -0.14 0.00 0.02 0.00 0.00 55.36 56.17 2k1g s GLN 128 Cb 0.00 -3.22 0.04 0.00 1.00 0.00 0.00 33.01 30.83 2k1g s GLN 128 CO 0.00 0.59 0.41 -0.59 -2.12 0.00 0.00 175.29 173.58 2k1g s PHE 129 N -1.16 -0.44 -0.14 0.91 -0.71 -0.49 -1.35 117.98 114.60 2k1g s PHE 129 Ca 0.33 1.05 -0.07 0.00 -1.04 0.00 0.00 56.93 57.20 2k1g s PHE 129 Cb -0.21 0.15 -0.04 0.00 -1.21 0.00 0.00 43.02 41.71 2k1g s PHE 129 CO 0.22 -0.23 0.13 0.54 -1.34 0.00 0.00 175.22 174.54 2k1g s VAL 130 N 0.11 5.41 0.12 -2.49 0.11 -0.58 -0.95 120.40 122.13 2k1g s VAL 130 Ca -0.01 0.18 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 2k1g s VAL 130 Cb -0.03 -3.38 0.07 0.00 -1.53 0.00 0.00 36.38 31.51 2k1g s VAL 130 CO 0.01 0.57 0.74 -1.38 -3.33 0.00 0.00 175.10 171.71 2k1g s HIS 131 N -0.67 -0.40 -0.88 1.54 -3.43 -0.32 -0.60 115.29 110.54 2k1g s HIS 131 Ca 0.13 0.17 -0.20 0.00 -0.80 0.00 0.00 55.06 54.36 2k1g s HIS 131 Cb -0.12 0.58 0.11 0.00 -1.43 0.00 0.00 32.58 31.72 2k1g s HIS 131 CO 0.02 -0.80 1.13 0.00 -2.00 0.00 0.00 174.74 173.09 2k1g s ALA 132 N -3.53 3.25 -0.13 -1.38 0.00 -1.26 -0.70 121.76 118.00 2k1g s ALA 132 Ca 0.05 -2.53 -0.23 0.00 0.00 0.00 0.00 51.96 49.25 2k1g s ALA 132 Cb -0.02 -4.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.02 2k1g s ALA 132 CO -0.08 -3.01 0.71 0.45 0.00 0.00 0.00 175.76 173.84 2k1g s SER 133 N 3.79 6.89 0.52 0.00 0.15 0.61 -3.88 113.70 121.78 2k1g s SER 133 Ca 0.32 1.08 0.34 0.00 0.70 0.00 0.00 55.95 58.39 2k1g s SER 133 Cb -0.07 -2.40 1.84 0.00 -1.71 0.00 0.00 66.02 63.67 2k1g s SER 133 CO -0.06 -0.24 2.03 0.00 1.20 0.00 0.00 173.24 176.18 2k1g h THR 134 N 5.00 0.00 -0.55 6.45 1.03 -1.94 0.78 112.91 123.67 2k1g h THR 134 Ca -0.35 0.00 -0.08 0.00 -0.01 0.00 0.00 66.41 65.97 2k1g h THR 134 Cb 1.16 0.75 -0.02 0.00 -1.07 0.00 0.00 68.15 68.97 2k1g h THR 134 CO 0.78 0.00 0.02 0.77 -0.01 0.00 0.00 175.52 177.09 2k1g h SER 135 N 0.00 0.93 0.00 0.00 4.64 -2.02 -3.42 113.55 113.68 2k1g h SER 135 Ca 0.00 -0.30 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 2k1g h SER 135 Cb 0.06 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 61.90 2k1g h SER 135 CO 0.00 1.00 -0.06 -1.20 -0.87 0.00 0.00 176.83 175.70 2k1g n SER 136 N -4.28 0.25 0.00 4.97 7.64 -0.87 -5.12 113.62 116.20 2k1g n SER 136 Ca 0.02 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2k1g n SER 136 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 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 1.55 0.85 3.57 0.23 0.00 0.26 -4.56 105.19 107.08 2k1g n GLY 137 Ca 0.00 -1.74 -0.39 0.00 0.00 0.00 0.00 46.02 43.89 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 -3.45 3.25 0.23 1.61 1.01 -0.24 -0.28 120.40 122.52 2k1g s VAL 138 Ca 0.00 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.17 2k1g s VAL 138 Cb 0.00 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.81 2k1g s VAL 138 CO 0.00 -0.46 0.11 0.27 0.00 0.00 0.00 175.10 175.02 2k1g s ILE 139 N 9.47 0.33 -0.31 2.22 -4.36 0.12 -2.22 121.20 126.46 2k1g s ILE 139 Ca 0.82 -2.00 -0.08 0.00 -0.26 0.00 0.00 60.65 59.13 2k1g s ILE 139 Cb -0.18 -2.57 0.01 0.00 1.25 0.00 0.00 42.46 40.97 2k1g s ILE 139 CO 0.26 -0.01 0.12 -0.63 0.24 0.00 0.00 174.94 174.92 2k1g s ILE 140 N -3.92 4.26 0.56 8.37 1.01 -1.26 -1.17 121.20 129.05 2k1g s ILE 140 Ca 0.38 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.49 2k1g s ILE 140 Cb 0.07 -3.21 0.06 0.00 0.01 0.00 0.00 42.46 39.40 2k1g s ILE 140 CO 0.13 0.04 0.61 -0.44 0.00 0.00 0.00 174.94 175.28 2k1g s SER 141 N 1.54 4.88 -0.02 3.58 0.01 -0.13 -4.89 113.70 118.68 2k1g s SER 141 Ca 0.03 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.24 2k1g s SER 141 Cb -0.17 0.35 0.00 0.00 0.21 0.00 0.00 66.02 66.42 2k1g s SER 141 CO 0.04 -1.23 0.06 -0.44 0.41 0.00 0.00 173.24 172.08 2k1g s SER 142 N -4.49 -0.05 0.00 2.44 0.01 -1.26 -1.39 113.70 108.96 2k1g s SER 142 Ca 0.49 0.10 0.08 0.00 1.31 0.00 0.00 55.95 57.92 2k1g s SER 142 Cb -0.04 0.12 0.38 0.00 0.21 0.00 0.00 66.02 66.69 2k1g s SER 142 CO 0.31 -0.03 1.11 0.23 0.41 0.00 0.00 173.24 175.27 2k1g n MET 143 N 2.98 0.10 0.25 12.44 2.81 -0.45 -1.21 117.12 134.05 2k1g n MET 143 Ca -0.13 0.23 0.16 0.00 -1.81 0.00 0.00 57.70 56.14 2k1g n MET 143 Cb 0.59 -1.50 0.54 0.00 -0.71 0.00 0.00 33.22 32.14 2k1g n MET 143 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2k1g h ASN 144 N 0.00 0.00 -3.49 7.83 4.21 -1.96 -3.33 115.58 118.84 2k1g h ASN 144 Ca 0.00 0.00 -0.52 0.00 1.21 0.00 0.00 56.30 56.99 2k1g h ASN 144 Cb 0.08 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.27 2k1g h ASN 144 CO 0.00 0.00 0.45 -1.61 -1.29 0.00 0.00 177.43 174.98 2k1g s GLU 145 N -3.52 4.59 0.22 0.81 2.02 -0.35 -4.93 118.70 117.54 2k1g s GLU 145 Ca 0.03 1.64 -0.08 0.00 0.02 0.00 0.00 54.97 56.58 2k1g s GLU 145 Cb 0.08 -3.33 0.35 0.00 0.10 0.00 0.00 34.13 31.33 2k1g s GLU 145 CO 0.57 0.04 1.71 -1.35 0.02 0.00 0.00 175.26 176.25 2k1g h PRO 146 N 5.65 0.28 -0.52 0.39 0.11 -1.89 -0.18 132.00 135.85 2k1g h PRO 146 Ca -0.43 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.70 2k1g h PRO 146 Cb 1.21 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 2k1g h PRO 146 CO 0.74 0.19 0.29 -0.92 -0.21 0.00 0.00 178.00 178.08 2k1g h TYR 147 N 0.29 0.53 0.11 0.65 3.20 -1.95 -2.64 116.97 117.16 2k1g h TYR 147 Ca 0.35 0.02 -0.27 0.00 3.14 0.00 0.00 58.73 61.97 2k1g h TYR 147 Cb 0.54 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.65 2k1g h TYR 147 CO -0.24 0.28 -1.24 -1.49 -1.64 0.00 0.00 178.16 173.83 2k1g h TRP 148 N 0.56 0.44 0.46 -3.82 4.06 -1.73 -3.05 115.95 112.86 2k1g h TRP 148 Ca 0.22 -0.32 -0.02 0.00 2.06 0.00 0.00 58.89 60.83 2k1g h TRP 148 Cb 0.09 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.24 2k1g h TRP 148 CO -0.09 1.26 -0.22 -0.22 -3.56 0.00 0.00 178.44 175.61 2k1g h LYS 149 N 0.07 -0.59 0.00 0.49 3.64 -0.88 -2.26 116.57 117.04 2k1g h LYS 149 Ca -0.13 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2k1g h LYS 149 Cb 1.96 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.91 2k1g h LYS 149 CO 0.19 -0.38 -0.45 0.36 -2.27 0.00 0.00 179.45 176.90 2k1g n LYS 150 N -5.34 0.28 0.00 1.90 2.85 -1.01 -3.40 118.16 113.43 2k1g n LYS 150 Ca -0.11 0.12 0.12 0.00 -1.05 0.00 0.00 58.31 57.39 2k1g n LYS 150 Cb 0.26 -1.72 0.28 0.00 -0.65 0.00 0.00 35.03 33.21 2k1g n LYS 150 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2k1g n ARG 151 N -2.14 1.01 -1.68 -1.58 5.12 -1.15 -4.96 116.66 111.27 2k1g n ARG 151 Ca 0.04 -0.68 -0.44 0.00 -1.93 0.00 0.00 57.85 54.84 2k1g n ARG 151 Cb 0.44 -1.49 -0.02 0.00 -1.16 0.00 0.00 32.46 30.23 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2k1g n TYR 152 N -0.41 2.22 0.00 -1.55 9.36 -0.85 -0.38 117.16 125.55 2k1g n TYR 152 Ca 0.12 0.44 0.00 0.00 3.32 0.00 0.00 57.90 61.78 2k1g n TYR 152 Cb 0.38 -2.46 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 2k1g n TYR 152 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2k1g n ASN 153 N 1.94 0.00 -1.83 2.98 5.15 0.50 -4.79 115.26 119.22 2k1g n ASN 153 Ca 0.10 0.00 -0.03 0.00 -0.60 0.00 0.00 54.58 54.06 2k1g n ASN 153 Cb 0.33 -0.34 0.01 0.00 -0.53 0.00 0.00 39.78 39.24 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 2k1g n GLU 154 N -2.39 0.39 -3.82 1.20 0.28 -1.22 -5.00 120.64 110.08 2k1g n GLU 154 Ca 0.00 -0.80 -0.13 0.00 -0.16 0.00 0.00 57.16 56.07 2k1g n GLU 154 Cb 0.00 1.03 -0.14 0.00 1.43 0.00 0.00 31.44 33.76 2k1g n GLU 154 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2k1g s ALA 155 N -1.44 -0.17 -0.12 -1.84 0.00 -1.23 -0.49 121.76 116.46 2k1g s ALA 155 Ca 0.08 0.29 -0.03 0.00 0.00 0.00 0.00 51.96 52.30 2k1g s ALA 155 Cb -0.02 -0.18 0.05 0.00 0.00 0.00 0.00 23.12 22.96 2k1g s ALA 155 CO 0.04 -0.06 0.05 1.03 0.00 0.00 0.00 175.76 176.82 2k1g s ARG 156 N 0.30 0.32 -0.24 0.00 1.81 -0.02 -1.65 118.95 119.48 2k1g s ARG 156 Ca -0.02 -0.02 -0.15 0.00 -1.72 0.00 0.00 55.73 53.82 2k1g s ARG 156 Cb -0.03 -1.39 -0.04 0.00 -0.45 0.00 0.00 34.95 33.04 2k1g s ARG 156 CO -0.01 -0.49 0.38 -0.98 -0.68 0.00 0.00 175.30 173.52 2k1g s ARG 157 N 2.03 4.09 0.00 3.54 3.03 -0.68 -1.31 118.95 129.65 2k1g s ARG 157 Ca 0.03 0.12 0.27 0.00 2.03 0.00 0.00 55.73 58.18 2k1g s ARG 157 Cb -0.14 -3.60 1.24 0.00 -1.03 0.00 0.00 34.95 31.42 2k1g s ARG 157 CO -0.06 -0.16 1.84 1.33 -1.13 0.00 0.00 175.30 177.12 2k1g n VAL 158 N 4.73 0.03 -3.52 4.99 0.24 -1.26 -0.67 118.33 122.87 2k1g n VAL 158 Ca -0.08 -0.18 -0.37 0.00 -2.04 0.00 0.00 64.34 61.67 2k1g n VAL 158 Cb 0.51 0.15 -0.07 0.00 -1.47 0.00 0.00 33.84 32.96 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 -1.90 4.31 -0.65 1.34 1.43 -1.26 -4.91 118.68 117.04 2k1g s LEU 159 Ca 0.39 0.65 -0.26 0.00 -1.03 0.00 0.00 54.13 53.87 2k1g s LEU 159 Cb 0.20 -2.44 0.04 0.00 0.03 0.00 0.00 46.19 44.01 2k1g s LEU 159 CO 0.32 0.15 1.15 -0.44 0.23 0.00 0.00 176.35 177.77 2k1g s SER 160 N 0.05 6.28 0.39 2.29 0.01 -1.26 -4.97 113.70 116.50 2k1g s SER 160 Ca 0.19 -0.34 -0.23 0.00 1.31 0.00 0.00 55.95 56.89 2k1g s SER 160 Cb -0.14 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.47 2k1g s SER 160 CO 0.07 -1.57 0.95 0.00 0.41 0.00 0.00 173.24 173.10 2k1g s ARG 161 N 4.95 4.34 0.19 12.44 1.04 -1.26 -5.07 118.95 135.58 2k1g s ARG 161 Ca 0.35 1.18 -0.05 0.00 -1.04 0.00 0.00 55.73 56.17 2k1g s ARG 161 Cb -0.10 -2.38 -0.05 0.00 -2.04 0.00 0.00 34.95 30.38 2k1g s ARG 161 CO 0.18 0.07 0.43 -1.12 -0.04 0.00 0.00 175.30 174.83 2k1g s SER 162 N -2.00 6.48 0.35 -2.89 0.01 -1.26 -5.12 113.70 109.27 2k1g s SER 162 Ca 0.58 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.46 2k1g s SER 162 Cb -0.12 -2.10 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2k1g s SER 162 CO 0.16 -0.03 0.00 0.18 0.41 0.00 0.00 173.24 173.97 2k1g n LEU 163 N -0.28 0.00 0.00 2.44 4.32 -1.26 -5.32 117.00 116.90 2k1g n LEU 163 Ca -0.02 0.00 0.11 0.00 -0.02 0.00 0.00 56.01 56.08 2k1g n LEU 163 Cb 0.53 0.00 0.67 0.00 -1.62 0.00 0.00 43.42 43.00 2k1g n LEU 163 CO 0.48 -0.46 0.86 -0.62 -1.22 0.00 0.00 177.39 176.43