#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 2.49 -0.84 7.83 4.22 -1.26 -4.97 114.94 122.42 2k1g s ASN 37 Ca 0.00 1.17 -0.18 0.00 -2.14 0.00 0.00 52.86 51.71 2k1g s ASN 37 Cb 0.00 -1.83 0.15 0.00 1.28 0.00 0.00 41.25 40.84 2k1g s ASN 37 CO 0.00 -3.21 0.96 -0.69 -2.04 0.00 0.00 177.10 172.12 2k1g s VAL 38 N -2.96 4.95 -0.40 3.54 1.01 -1.26 -5.01 120.40 120.27 2k1g s VAL 38 Ca 0.66 -1.66 -0.27 0.00 0.00 0.00 0.00 61.98 60.71 2k1g s VAL 38 Cb -0.19 -4.65 0.02 0.00 0.00 0.00 0.00 36.38 31.56 2k1g s VAL 38 CO 0.58 -1.32 0.99 -1.81 0.00 0.00 0.00 175.10 173.54 2k1g s ASP 39 N 3.25 6.66 0.18 3.32 1.01 -1.26 -4.95 116.67 124.89 2k1g s ASP 39 Ca 0.25 0.52 -0.17 0.00 0.71 0.00 0.00 52.55 53.86 2k1g s ASP 39 Cb -0.10 -2.49 0.13 0.00 1.01 0.00 0.00 42.92 41.47 2k1g s ASP 39 CO -0.06 -0.99 1.64 0.58 0.21 0.00 0.00 175.17 176.56 2k1g h VAL 40 N 5.95 0.46 -0.65 -1.27 2.07 -1.95 -0.80 116.25 120.06 2k1g h VAL 40 Ca -0.23 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.37 2k1g h VAL 40 Cb 1.07 0.46 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2k1g h VAL 40 CO 1.03 0.00 0.32 0.50 0.02 0.00 0.00 177.57 179.44 2k1g h LYS 41 N -0.06 0.55 -1.01 1.57 3.64 -1.90 0.21 116.57 119.57 2k1g h LYS 41 Ca 0.22 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2k1g h LYS 41 Cb 0.40 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.04 2k1g h LYS 41 CO -0.50 0.36 0.67 1.03 -2.27 0.00 0.00 179.45 178.74 2k1g h SER 42 N 0.56 1.14 -0.43 4.20 0.87 -1.67 -0.47 113.55 117.76 2k1g h SER 42 Ca 0.31 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.75 2k1g h SER 42 Cb 0.30 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 2k1g h SER 42 CO -0.24 0.82 -0.10 0.03 -0.53 0.00 0.00 176.83 176.80 2k1g h ARG 43 N 1.35 0.83 -0.36 2.24 2.47 -0.05 0.32 114.38 121.18 2k1g h ARG 43 Ca 0.38 -0.32 -0.03 0.00 -1.26 0.00 0.00 59.98 58.75 2k1g h ARG 43 Cb -0.13 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.13 2k1g h ARG 43 CO -0.09 0.94 0.10 0.82 0.56 0.00 0.00 179.97 182.30 2k1g h ILE 44 N 0.65 1.22 -0.41 2.04 2.04 -0.60 -1.89 117.51 120.56 2k1g h ILE 44 Ca 0.11 -0.72 -0.08 0.00 1.00 0.00 0.00 64.86 65.17 2k1g h ILE 44 Cb 0.64 1.01 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2k1g h ILE 44 CO 0.04 0.25 -0.08 0.24 0.00 0.00 0.00 178.15 178.60 2k1g h MET 45 N 0.43 0.70 -0.42 2.37 2.86 -1.08 -0.39 114.93 119.39 2k1g h MET 45 Ca 0.11 -0.21 0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2k1g h MET 45 Cb 0.28 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.81 2k1g h MET 45 CO -0.00 0.77 0.10 0.22 1.06 0.00 0.00 176.91 179.05 2k1g h ASP 46 N 0.64 0.04 -0.13 1.22 3.58 -0.64 0.11 116.42 121.24 2k1g h ASP 46 Ca 0.12 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 2k1g h ASP 46 Cb 0.51 0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.64 2k1g h ASP 46 CO 0.03 0.06 0.00 -0.61 -2.88 0.00 0.00 179.24 175.84 2k1g h GLN 47 N 0.23 0.23 -0.58 0.28 5.75 -1.14 -3.10 115.11 116.79 2k1g h GLN 47 Ca 0.20 -0.07 0.12 0.00 -0.15 0.00 0.00 58.65 58.75 2k1g h GLN 47 Cb 0.24 -0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 2k1g h GLN 47 CO -0.26 0.46 0.39 -0.92 -2.65 0.00 0.00 178.83 175.86 2k1g h TYR 48 N -0.02 0.31 -0.70 3.99 3.20 -0.61 0.54 116.97 123.68 2k1g h TYR 48 Ca 0.04 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.07 2k1g h TYR 48 Cb 0.35 -0.10 -0.04 0.00 1.54 0.00 0.00 36.73 38.48 2k1g h TYR 48 CO 0.03 0.14 0.47 0.00 -1.64 0.00 0.00 178.16 177.17 2k1g h ALA 49 N 1.71 2.22 0.00 1.82 0.00 -0.71 0.26 119.26 124.57 2k1g h ALA 49 Ca 0.27 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 2k1g h ALA 49 Cb 0.68 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k1g h ALA 49 CO -0.06 -0.41 -0.52 -0.44 0.00 0.00 0.00 179.25 177.82 2k1g h ASP 50 N 0.30 0.00 -0.19 0.00 5.19 -1.01 -3.35 116.42 117.36 2k1g h ASP 50 Ca 0.34 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.75 2k1g h ASP 50 Cb 0.90 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.41 2k1g h ASP 50 CO -0.09 0.10 0.00 0.79 -3.12 0.00 0.00 179.24 176.92 2k1g n TRP 51 N -2.95 0.58 -1.74 4.55 7.02 0.31 -5.01 117.44 120.21 2k1g n TRP 51 Ca 0.01 -0.83 -0.43 0.00 -1.02 0.00 0.00 57.50 55.24 2k1g n TRP 51 Cb 0.58 -0.22 -0.03 0.00 -2.42 0.00 0.00 31.31 29.23 2k1g n TRP 51 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2k1g s LYS 52 N -2.45 3.23 0.00 -0.99 1.02 0.66 -2.66 119.74 118.56 2k1g s LYS 52 Ca 0.34 1.86 0.00 0.00 0.02 0.00 0.00 55.97 58.19 2k1g s LYS 52 Cb 0.27 -4.31 0.00 0.00 -0.52 0.00 0.00 37.83 33.27 2k1g s LYS 52 CO 0.08 -1.99 0.00 0.41 -0.92 0.00 0.00 175.35 172.93 2k1g n GLY 53 N 5.61 0.73 3.65 -3.33 0.00 -1.25 -5.04 105.19 105.55 2k1g n GLY 53 Ca 0.27 -0.60 -0.43 0.00 0.00 0.00 0.00 46.02 45.27 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 4.65 0.83 1.61 1.01 -1.09 -4.84 120.40 120.57 2k1g s VAL 54 Ca 0.00 1.83 -0.11 0.00 0.00 0.00 0.00 61.98 63.70 2k1g s VAL 54 Cb 0.00 -4.31 0.09 0.00 0.00 0.00 0.00 36.38 32.15 2k1g s VAL 54 CO 0.00 -0.27 1.09 0.00 0.00 0.00 0.00 175.10 175.92 2k1g s ARG 55 N 3.29 1.82 -0.05 2.72 1.70 -1.26 -0.21 118.95 126.96 2k1g s ARG 55 Ca 0.43 0.84 -0.30 0.00 -0.47 0.00 0.00 55.73 56.23 2k1g s ARG 55 Cb -0.14 -1.87 -0.03 0.00 -0.57 0.00 0.00 34.95 32.34 2k1g s ARG 55 CO 0.10 -1.86 1.09 -0.47 -1.08 0.00 0.00 175.30 173.08 2k1g s TYR 56 N -3.00 3.42 -0.26 5.89 6.14 -1.25 -1.47 117.35 126.82 2k1g s TYR 56 Ca 0.62 1.45 -0.04 0.00 0.64 0.00 0.00 57.07 59.75 2k1g s TYR 56 Cb -0.16 -3.28 0.09 0.00 0.42 0.00 0.00 41.96 39.02 2k1g s TYR 56 CO 0.56 -0.66 0.11 0.50 0.64 0.00 0.00 175.55 176.69 2k1g s ARG 57 N 1.80 0.28 0.13 4.97 3.52 -0.62 -4.69 118.95 124.34 2k1g s ARG 57 Ca 0.53 -0.50 -0.30 0.00 -0.13 0.00 0.00 55.73 55.32 2k1g s ARG 57 Cb -0.22 -1.51 -0.07 0.00 -1.56 0.00 0.00 34.95 31.59 2k1g s ARG 57 CO 0.22 -0.91 1.25 -1.17 -0.81 0.00 0.00 175.30 173.89 2k1g s LEU 58 N 2.02 4.40 0.00 -0.88 2.96 -1.26 -3.03 118.68 122.89 2k1g s LEU 58 Ca 0.07 2.20 0.00 0.00 -0.22 0.00 0.00 54.13 56.18 2k1g s LEU 58 Cb -0.16 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 42.93 2k1g s LEU 58 CO -0.27 -0.48 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 2k1g n GLY 59 N 2.82 1.92 2.54 7.98 0.00 -1.26 -4.83 105.19 114.36 2k1g n GLY 59 Ca 0.08 -0.32 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 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 0.00 5.43 3.62 -0.02 0.00 -1.23 -4.99 105.19 108.00 2k1g n GLY 60 Ca 0.00 -2.19 -0.43 0.00 0.00 0.00 0.00 46.02 43.40 2k1g n GLY 60 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k1g s SER 61 N -0.06 6.16 0.20 1.61 1.04 -1.26 -4.39 113.70 117.00 2k1g s SER 61 Ca 0.50 1.68 -0.23 0.00 0.48 0.00 0.00 55.95 58.37 2k1g s SER 61 Cb 0.18 -2.53 0.05 0.00 0.10 0.00 0.00 66.02 63.83 2k1g s SER 61 CO -0.10 -1.43 0.90 0.28 0.98 0.00 0.00 173.24 173.87 2k1g s THR 62 N 5.90 0.00 -0.51 2.02 -1.32 0.17 -4.96 115.64 116.95 2k1g s THR 62 Ca 0.78 -0.76 0.23 0.00 -1.21 0.00 0.00 61.69 60.73 2k1g s THR 62 Cb -0.27 -2.16 0.24 0.00 -1.51 0.00 0.00 72.50 68.80 2k1g s THR 62 CO 0.32 0.00 1.70 1.17 -2.21 0.00 0.00 174.62 175.60 2k1g n LYS 63 N -0.50 0.18 -0.03 7.08 4.81 -1.26 -1.14 118.16 127.31 2k1g n LYS 63 Ca -0.05 0.41 0.12 0.00 -0.87 0.00 0.00 58.31 57.92 2k1g n LYS 63 Cb 0.60 -1.85 0.56 0.00 0.02 0.00 0.00 35.03 34.36 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2k1g n LYS 64 N -2.20 1.40 0.00 1.64 4.01 -1.26 -4.84 118.16 116.92 2k1g n LYS 64 Ca 0.02 -0.60 0.00 0.00 -0.51 0.00 0.00 58.31 57.22 2k1g n LYS 64 Cb 0.23 -1.41 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 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 1.04 3.07 3.25 0.72 0.00 -0.29 -4.82 105.19 108.15 2k1g n GLY 65 Ca 0.18 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.11 0.58 -0.61 2.07 -0.54 -0.65 121.20 122.15 2k1g s ILE 66 Ca 0.00 -0.88 0.04 0.00 -1.41 0.00 0.00 60.65 58.40 2k1g s ILE 66 Cb 0.00 -1.18 0.07 0.00 0.13 0.00 0.00 42.46 41.48 2k1g s ILE 66 CO 0.00 -0.49 0.80 1.51 -1.91 0.00 0.00 174.94 174.85 2k1g s ASP 67 N -2.63 5.04 0.03 4.50 -4.77 -1.17 -1.58 116.67 116.09 2k1g s ASP 67 Ca 0.02 -0.41 -0.26 0.00 -3.30 0.00 0.00 52.55 48.60 2k1g s ASP 67 Cb 0.02 -0.29 -0.17 0.00 -1.09 0.00 0.00 42.92 41.40 2k1g s ASP 67 CO -0.09 -1.32 1.39 0.00 0.70 0.00 0.00 175.17 175.84 2k1g h SER 69 N -0.59 1.08 -0.38 0.00 4.64 -1.90 -1.12 113.55 115.28 2k1g h SER 69 Ca -0.03 -0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.17 2k1g h SER 69 Cb 0.43 -0.25 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 2k1g h SER 69 CO 0.06 0.75 -0.14 1.23 -0.87 0.00 0.00 176.83 177.86 2k1g h GLY 70 N 1.25 0.90 0.85 -0.77 0.00 -1.78 -2.63 103.07 100.90 2k1g h GLY 70 Ca 0.38 -0.72 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 2k1g h GLY 70 CO -0.11 0.66 -0.16 -2.75 0.00 0.00 0.00 176.54 174.17 2k1g h PHE 71 N 0.75 -0.42 -0.59 5.60 3.57 -0.50 -2.78 116.94 122.56 2k1g h PHE 71 Ca 0.12 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.61 2k1g h PHE 71 Cb 0.65 0.14 -0.03 0.00 2.79 0.00 0.00 35.95 39.50 2k1g h PHE 71 CO 0.04 -0.17 0.37 -0.24 -2.23 0.00 0.00 178.31 176.08 2k1g h VAL 72 N -0.62 1.17 -0.68 1.41 3.04 -1.25 -0.46 116.25 118.86 2k1g h VAL 72 Ca -0.05 -0.35 -0.01 0.00 -1.01 0.00 0.00 66.70 65.29 2k1g h VAL 72 Cb 0.45 0.33 -0.03 0.00 -2.01 0.00 0.00 31.29 30.03 2k1g h VAL 72 CO 0.08 0.17 0.40 0.06 -1.01 0.00 0.00 177.57 177.26 2k1g h GLN 73 N 0.80 0.91 0.00 4.17 3.07 -1.53 -1.94 115.11 120.60 2k1g h GLN 73 Ca 0.21 -0.08 -0.00 0.00 0.09 0.00 0.00 58.65 58.87 2k1g h GLN 73 Cb -0.05 -0.19 0.00 0.00 0.08 0.00 0.00 27.48 27.32 2k1g h GLN 73 CO -0.04 0.65 -0.00 0.00 0.09 0.00 0.00 178.83 179.52 2k1g h ARG 74 N 0.93 -0.00 -0.48 0.06 3.08 -1.11 -2.30 114.38 114.55 2k1g h ARG 74 Ca 0.24 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.38 2k1g h ARG 74 Cb -0.03 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.95 2k1g h ARG 74 CO -0.04 0.47 0.04 1.15 -1.07 0.00 0.00 179.97 180.52 2k1g h THR 75 N -0.48 0.67 -0.25 2.04 2.02 -0.87 -1.36 112.91 114.68 2k1g h THR 75 Ca -0.00 -0.05 -0.14 0.00 0.77 0.00 0.00 66.41 66.99 2k1g h THR 75 Cb 0.48 0.49 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 2k1g h THR 75 CO 0.00 0.03 -0.42 -0.26 0.37 0.00 0.00 175.52 175.24 2k1g h PHE 76 N 0.16 0.73 -0.10 3.16 -1.00 -1.43 -2.23 116.94 116.23 2k1g h PHE 76 Ca 0.24 -0.22 -0.10 0.00 2.81 0.00 0.00 57.97 60.71 2k1g h PHE 76 Cb 0.35 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 2k1g h PHE 76 CO -0.27 0.93 -0.38 0.07 -1.61 0.00 0.00 178.31 177.04 2k1g h ARG 77 N 0.50 0.21 0.22 1.51 0.11 -0.79 0.21 114.38 116.34 2k1g h ARG 77 Ca 0.04 -0.09 -0.01 0.00 0.10 0.00 0.00 59.98 60.02 2k1g h ARG 77 Cb 0.94 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.01 2k1g h ARG 77 CO 0.08 0.57 -0.11 0.93 0.10 0.00 0.00 179.97 181.54 2k1g h GLU 78 N 0.18 -0.29 -0.13 0.08 4.39 -1.15 -2.53 114.58 115.13 2k1g h GLU 78 Ca 0.02 0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.63 2k1g h GLU 78 Cb 0.76 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2k1g h GLU 78 CO 0.06 -0.19 -0.33 1.96 -1.16 0.00 0.00 179.01 179.34 2k1g h GLN 79 N -0.86 0.45 -0.01 2.33 7.50 -1.49 -3.36 115.11 119.66 2k1g h GLN 79 Ca -0.03 -0.31 0.00 0.00 0.50 0.00 0.00 58.65 58.81 2k1g h GLN 79 Cb 0.23 0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.81 2k1g h GLN 79 CO 0.05 0.93 -0.17 1.19 -1.50 0.00 0.00 178.83 179.33 2k1g n PHE 80 N -4.37 0.00 -1.66 2.96 3.72 0.06 -4.99 117.46 113.18 2k1g n PHE 80 Ca -0.07 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.17 2k1g n PHE 80 Cb 0.50 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.98 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 0.84 1.14 3.62 1.37 0.00 0.50 -4.91 105.19 107.75 2k1g n GLY 81 Ca 0.05 -0.26 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.82 4.07 -0.41 0.99 2.96 -0.43 -4.81 118.68 117.22 2k1g s LEU 82 Ca 0.00 0.34 -0.17 0.00 -0.22 0.00 0.00 54.13 54.09 2k1g s LEU 82 Cb 0.00 -2.44 0.02 0.00 0.50 0.00 0.00 46.19 44.27 2k1g s LEU 82 CO 0.00 -0.15 0.40 -1.61 -1.32 0.00 0.00 176.35 173.67 2k1g s GLU 83 N 1.85 3.09 0.16 1.98 2.02 -1.26 -1.98 118.70 124.56 2k1g s GLU 83 Ca 0.16 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.33 2k1g s GLU 83 Cb -0.15 -3.96 -0.04 0.00 0.10 0.00 0.00 34.13 30.07 2k1g s GLU 83 CO 0.09 -0.81 0.35 -0.51 0.02 0.00 0.00 175.26 174.40 2k1g s LEU 84 N 2.01 4.27 1.36 1.80 1.43 -1.26 -5.10 118.68 123.19 2k1g s LEU 84 Ca 0.10 0.41 -0.20 0.00 -1.03 0.00 0.00 54.13 53.41 2k1g s LEU 84 Cb -0.17 -3.15 0.34 0.00 0.03 0.00 0.00 46.19 43.24 2k1g s LEU 84 CO 0.13 0.02 0.90 -0.81 0.23 0.00 0.00 176.35 176.81 2k1g n PRO 85 N -0.31 -3.91 0.13 1.29 -0.04 -1.26 -4.90 135.00 126.00 2k1g n PRO 85 Ca -0.04 -1.14 0.12 0.00 -0.04 0.00 0.00 63.50 62.40 2k1g n PRO 85 Cb 0.53 -2.00 0.25 0.00 -0.04 0.00 0.00 33.50 32.24 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 -3.26 0.00 -5.28 0.54 2.47 -1.98 -3.46 114.38 103.41 2k1g h ARG 86 Ca -0.50 0.00 -0.43 0.00 -1.26 0.00 0.00 59.98 57.80 2k1g h ARG 86 Cb 1.33 0.00 -0.24 0.00 -1.65 0.00 0.00 29.97 29.41 2k1g h ARG 86 CO 0.35 0.00 -0.79 -1.54 0.56 0.00 0.00 179.97 178.55 2k1g s SER 87 N -5.03 1.61 0.29 7.04 1.04 -1.26 -4.50 113.70 112.90 2k1g s SER 87 Ca 0.08 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.03 2k1g s SER 87 Cb 0.10 -0.08 0.62 0.00 0.10 0.00 0.00 66.02 66.76 2k1g s SER 87 CO 0.66 -0.01 1.81 0.74 0.98 0.00 0.00 173.24 177.43 2k1g h THR 88 N 4.45 0.84 -0.83 2.02 2.02 -1.88 -1.12 112.91 118.41 2k1g h THR 88 Ca -0.39 -0.31 0.18 0.00 0.77 0.00 0.00 66.41 66.67 2k1g h THR 88 Cb 1.18 -0.14 -0.11 0.00 -1.74 0.00 0.00 68.15 67.34 2k1g h THR 88 CO 0.43 0.16 0.35 1.88 0.37 0.00 0.00 175.52 178.71 2k1g h TYR 89 N 0.90 0.58 0.16 3.16 0.05 -1.96 -1.51 116.97 118.35 2k1g h TYR 89 Ca 0.53 0.04 -0.29 0.00 0.05 0.00 0.00 58.73 59.06 2k1g h TYR 89 Cb 0.64 -0.13 0.03 0.00 1.01 0.00 0.00 36.73 38.28 2k1g h TYR 89 CO -0.01 0.01 -1.21 0.93 -1.05 0.00 0.00 178.16 176.83 2k1g h GLU 90 N 0.43 0.55 -0.33 4.88 5.08 -1.65 -3.33 114.58 120.20 2k1g h GLU 90 Ca 0.49 -0.80 0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2k1g h GLU 90 Cb 0.84 0.28 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2k1g h GLU 90 CO -0.47 1.36 0.23 1.96 -1.00 0.00 0.00 179.01 181.09 2k1g h GLN 91 N 0.12 0.14 -0.46 2.33 4.20 -0.32 -1.47 115.11 119.64 2k1g h GLN 91 Ca -0.20 -0.01 0.04 0.00 0.06 0.00 0.00 58.65 58.55 2k1g h GLN 91 Cb 1.91 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.64 2k1g h GLN 91 CO 0.23 0.09 0.31 1.96 -0.67 0.00 0.00 178.83 180.75 2k1g h GLN 92 N 0.14 0.44 0.00 1.46 4.20 -1.49 -2.06 115.11 117.80 2k1g h GLN 92 Ca 0.15 -0.03 -0.06 0.00 0.06 0.00 0.00 58.65 58.77 2k1g h GLN 92 Cb 0.42 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2k1g h GLN 92 CO -0.02 0.29 -0.29 0.93 -0.67 0.00 0.00 178.83 179.07 2k1g h GLU 93 N 0.45 0.00 -0.26 1.46 5.08 -1.47 -3.29 114.58 116.56 2k1g h GLU 93 Ca 0.19 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.46 2k1g h GLU 93 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.44 2k1g h GLU 93 CO -0.05 0.29 -0.21 0.52 -1.00 0.00 0.00 179.01 178.56 2k1g h MET 94 N 0.00 0.60 -6.20 2.33 2.86 -1.47 -3.46 114.93 109.59 2k1g h MET 94 Ca -0.00 -0.30 -0.48 0.00 -2.06 0.00 0.00 59.70 56.86 2k1g h MET 94 Cb 0.77 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.40 2k1g h MET 94 CO 0.04 0.89 -0.47 0.20 1.06 0.00 0.00 176.91 178.63 2k1g s GLY 95 N -3.55 1.31 0.17 8.32 0.00 -1.24 -4.82 107.32 107.51 2k1g s GLY 95 Ca -0.13 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.16 2k1g s GLY 95 CO 0.80 -1.34 0.52 0.54 0.00 0.00 0.00 173.10 173.62 2k1g s LYS 96 N -3.93 3.86 0.49 2.90 -0.14 -0.87 -4.70 119.74 117.35 2k1g s LYS 96 Ca 0.34 0.33 -0.20 0.00 -1.36 0.00 0.00 55.97 55.09 2k1g s LYS 96 Cb -0.08 -2.82 -0.08 0.00 -1.68 0.00 0.00 37.83 33.17 2k1g s LYS 96 CO 0.27 0.42 1.02 -1.12 -0.76 0.00 0.00 175.35 175.19 2k1g s SER 97 N -2.02 6.40 -0.04 2.83 0.01 -1.26 -0.67 113.70 118.96 2k1g s SER 97 Ca 0.41 1.86 -0.03 0.00 1.31 0.00 0.00 55.95 59.50 2k1g s SER 97 Cb -0.13 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.56 2k1g s SER 97 CO 0.20 -0.74 0.09 0.68 0.41 0.00 0.00 173.24 173.89 2k1g s VAL 98 N -2.10 -0.01 0.93 3.43 -7.23 0.79 -4.89 120.40 111.32 2k1g s VAL 98 Ca 0.66 0.04 -0.15 0.00 -1.81 0.00 0.00 61.98 60.72 2k1g s VAL 98 Cb -0.15 -0.15 0.17 0.00 0.56 0.00 0.00 36.38 36.82 2k1g s VAL 98 CO 0.21 0.02 1.29 -0.55 -0.31 0.00 0.00 175.10 175.75 2k1g s SER 99 N 0.27 3.44 0.14 4.85 0.15 -1.26 -3.80 113.70 117.49 2k1g s SER 99 Ca -0.02 0.37 -0.19 0.00 0.70 0.00 0.00 55.95 56.81 2k1g s SER 99 Cb -0.03 -0.52 0.01 0.00 -1.71 0.00 0.00 66.02 63.77 2k1g s SER 99 CO -0.01 -2.54 1.69 0.03 1.20 0.00 0.00 173.24 173.61 2k1g h ARG 100 N -1.50 -0.03 0.00 5.44 -0.00 -2.00 -0.82 114.38 115.47 2k1g h ARG 100 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.04 2k1g h ARG 100 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 29.97 31.23 2k1g h ARG 100 CO 0.44 -0.02 0.00 0.43 0.00 0.00 0.00 179.97 180.82 2k1g n SER 101 N -5.25 0.71 -1.02 7.04 7.64 -1.26 -2.76 113.62 118.73 2k1g n SER 101 Ca -0.01 0.67 0.11 0.00 1.01 0.00 0.00 58.87 60.65 2k1g n SER 101 Cb 0.17 -0.82 0.18 0.00 -1.01 0.00 0.00 64.21 62.73 2k1g n SER 101 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k1g n ASN 102 N -2.28 3.22 -4.76 6.43 3.02 -0.35 -4.98 115.26 115.56 2k1g n ASN 102 Ca 0.02 -1.94 -0.41 0.00 -0.03 0.00 0.00 54.58 52.23 2k1g n ASN 102 Cb 0.24 -0.20 -0.03 0.00 -0.61 0.00 0.00 39.78 39.17 2k1g n ASN 102 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2k1g s LEU 103 N -1.42 4.48 0.32 3.41 1.43 -0.95 -4.79 118.68 121.17 2k1g s LEU 103 Ca 0.34 2.42 0.03 0.00 -1.03 0.00 0.00 54.13 55.88 2k1g s LEU 103 Cb 0.20 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.75 2k1g s LEU 103 CO 0.28 -0.34 0.14 -0.13 0.23 0.00 0.00 176.35 176.53 2k1g s ARG 104 N -1.26 1.65 -0.54 1.70 0.52 -1.26 -5.09 118.95 114.68 2k1g s ARG 104 Ca 0.48 -1.95 -0.27 0.00 -0.52 0.00 0.00 55.73 53.47 2k1g s ARG 104 Cb -0.35 -0.26 -0.01 0.00 0.52 0.00 0.00 34.95 34.85 2k1g s ARG 104 CO 0.44 -0.43 1.69 0.99 0.02 0.00 0.00 175.30 178.02 2k1g s THR 105 N -3.51 3.53 0.00 0.02 2.01 -1.26 -2.85 115.64 113.57 2k1g s THR 105 Ca 0.34 0.42 0.00 0.00 0.31 0.00 0.00 61.69 62.75 2k1g s THR 105 Cb 0.05 -4.06 0.00 0.00 0.01 0.00 0.00 72.50 68.50 2k1g s THR 105 CO 0.17 -0.91 0.00 0.61 -0.69 0.00 0.00 174.62 173.80 2k1g n GLY 106 N 5.49 1.02 3.78 4.40 0.00 -0.42 -4.80 105.19 114.65 2k1g n GLY 106 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.69 6.21 -0.23 1.61 1.11 -1.13 -4.77 116.67 118.78 2k1g s ASP 107 Ca 0.00 2.20 -0.16 0.00 0.18 0.00 0.00 52.55 54.77 2k1g s ASP 107 Cb 0.00 -2.59 -0.04 0.00 1.07 0.00 0.00 42.92 41.36 2k1g s ASP 107 CO 0.00 -0.89 0.41 -0.76 1.18 0.00 0.00 175.17 175.12 2k1g s LEU 108 N -3.14 4.11 -0.33 1.23 1.43 -0.10 -1.01 118.68 120.87 2k1g s LEU 108 Ca 0.65 0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 54.06 2k1g s LEU 108 Cb -0.25 -2.52 -0.02 0.00 0.03 0.00 0.00 46.19 43.43 2k1g s LEU 108 CO 0.31 -0.14 0.39 0.68 0.23 0.00 0.00 176.35 177.81 2k1g s VAL 109 N 1.67 5.14 -0.24 -1.59 -7.23 0.01 -0.41 120.40 117.75 2k1g s VAL 109 Ca 0.19 0.18 -0.18 0.00 -1.81 0.00 0.00 61.98 60.36 2k1g s VAL 109 Cb -0.15 -3.82 -0.03 0.00 0.56 0.00 0.00 36.38 32.94 2k1g s VAL 109 CO 0.09 -0.07 0.50 -0.76 -0.31 0.00 0.00 175.10 174.55 2k1g s LEU 110 N 2.09 4.09 0.36 1.32 1.43 0.97 -1.41 118.68 127.53 2k1g s LEU 110 Ca 0.13 0.56 0.08 0.00 -1.03 0.00 0.00 54.13 53.88 2k1g s LEU 110 Cb -0.16 -2.66 -0.05 0.00 0.03 0.00 0.00 46.19 43.35 2k1g s LEU 110 CO 0.12 -0.23 0.09 -0.36 0.23 0.00 0.00 176.35 176.20 2k1g s PHE 111 N 1.99 2.61 -0.38 0.29 0.08 0.61 -0.74 117.98 122.44 2k1g s PHE 111 Ca 0.22 -0.47 -0.12 0.00 0.12 0.00 0.00 56.93 56.68 2k1g s PHE 111 Cb -0.15 -1.67 0.03 0.00 -0.57 0.00 0.00 43.02 40.66 2k1g s PHE 111 CO 0.09 0.36 0.23 1.03 -0.10 0.00 0.00 175.22 176.83 2k1g s ARG 112 N -3.80 2.83 -0.19 0.44 0.52 -0.04 -0.59 118.95 118.11 2k1g s ARG 112 Ca 0.37 -1.10 -0.19 0.00 -0.52 0.00 0.00 55.73 54.30 2k1g s ARG 112 Cb 0.01 -3.78 -0.03 0.00 0.52 0.00 0.00 34.95 31.66 2k1g s ARG 112 CO 0.21 -0.73 0.54 0.00 0.02 0.00 0.00 175.30 175.34 2k1g s ALA 113 N 1.57 3.54 0.00 2.13 0.00 -0.59 -4.53 121.76 123.88 2k1g s ALA 113 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.62 2k1g s ALA 113 Cb -0.19 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2k1g s ALA 113 CO 0.07 -0.44 0.00 0.41 0.00 0.00 0.00 175.76 175.80 2k1g n GLY 114 N 3.84 1.21 1.24 0.00 0.00 -1.26 -3.75 105.19 106.47 2k1g n GLY 114 Ca -0.04 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 2.62 -0.36 -4.19 1.61 7.64 -1.26 -5.07 113.62 114.61 2k1g n SER 115 Ca 0.00 0.10 -0.40 0.00 1.01 0.00 0.00 58.87 59.58 2k1g n SER 115 Cb 0.00 0.62 -0.07 0.00 -1.01 0.00 0.00 64.21 63.75 2k1g n SER 115 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2k1g s THR 116 N -2.00 4.31 0.00 0.44 -4.23 -1.25 -4.98 115.64 107.93 2k1g s THR 116 Ca 0.00 -2.43 0.00 0.00 -1.18 0.00 0.00 61.69 58.08 2k1g s THR 116 Cb 0.00 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 70.06 2k1g s THR 116 CO 0.00 -0.87 0.00 0.61 -0.54 0.00 0.00 174.62 173.82 2k1g n GLY 117 N 4.10 3.65 3.64 3.99 0.00 -1.26 -4.90 105.19 114.41 2k1g n GLY 117 Ca 0.04 -0.21 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.05 4.08 0.21 1.61 1.81 -1.26 -1.55 118.95 122.80 2k1g s ARG 118 Ca 0.00 0.03 0.09 0.00 -1.72 0.00 0.00 55.73 54.13 2k1g s ARG 118 Cb 0.00 -3.60 -0.04 0.00 -0.45 0.00 0.00 34.95 30.86 2k1g s ARG 118 CO 0.00 -0.14 -0.05 -1.58 -0.68 0.00 0.00 175.30 172.85 2k1g s HIS 119 N 1.63 2.69 -0.00 -0.53 5.65 0.24 -4.76 115.29 120.21 2k1g s HIS 119 Ca 0.15 -0.20 0.00 0.00 0.25 0.00 0.00 55.06 55.25 2k1g s HIS 119 Cb -0.15 -1.27 0.01 0.00 -1.18 0.00 0.00 32.58 29.98 2k1g s HIS 119 CO 0.08 0.55 0.00 0.54 -0.65 0.00 0.00 174.74 175.27 2k1g s VAL 120 N -1.91 0.00 0.11 0.89 0.11 -1.26 -0.28 120.40 118.06 2k1g s VAL 120 Ca 0.27 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.41 2k1g s VAL 120 Cb -0.08 -0.03 -0.04 0.00 -1.53 0.00 0.00 36.38 34.70 2k1g s VAL 120 CO 0.17 0.02 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.02 2k1g s GLY 121 N 0.22 0.95 -0.43 6.54 0.00 -0.50 -4.69 107.32 109.41 2k1g s GLY 121 Ca -0.02 -1.27 -0.20 0.00 0.00 0.00 0.00 44.72 43.23 2k1g s GLY 121 CO -0.01 -1.34 0.62 -0.42 0.00 0.00 0.00 173.10 171.95 2k1g s ILE 122 N -2.50 4.86 -0.28 0.90 1.01 -0.15 -0.81 121.20 124.23 2k1g s ILE 122 Ca 0.08 0.08 -0.29 0.00 0.00 0.00 0.00 60.65 60.53 2k1g s ILE 122 Cb -0.03 -4.18 -0.01 0.00 0.01 0.00 0.00 42.46 38.26 2k1g s ILE 122 CO 0.01 -0.56 1.41 -0.47 0.00 0.00 0.00 174.94 175.33 2k1g s TYR 123 N 2.73 2.49 -0.15 3.97 5.04 -0.18 -1.74 117.35 129.51 2k1g s TYR 123 Ca 0.21 0.76 0.11 0.00 -2.44 0.00 0.00 57.07 55.71 2k1g s TYR 123 Cb -0.14 -3.94 -0.23 0.00 0.35 0.00 0.00 41.96 37.99 2k1g s TYR 123 CO 0.18 -2.12 0.26 0.44 -1.34 0.00 0.00 175.55 172.97 2k1g n ILE 124 N 6.29 1.53 0.00 3.14 -5.35 -0.46 -1.31 119.36 123.20 2k1g n ILE 124 Ca 0.16 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 2k1g n ILE 124 Cb 0.46 -0.94 0.00 0.00 -1.74 0.00 0.00 39.64 37.42 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 1.79 3.92 3.76 3.28 0.00 -1.07 -4.55 105.19 112.31 2k1g n GLY 125 Ca -0.29 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.25 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 -2.38 0.00 1.61 4.13 -1.26 -0.82 115.26 116.54 2k1g n ASN 126 Ca 0.00 -0.80 0.00 0.00 1.68 0.00 0.00 54.58 55.46 2k1g n ASN 126 Cb 0.00 -4.04 0.00 0.00 -1.54 0.00 0.00 39.78 34.20 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2k1g n ASN 127 N -2.99 0.00 -4.83 6.41 3.02 -1.26 -4.87 115.26 110.74 2k1g n ASN 127 Ca -0.19 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 53.99 2k1g n ASN 127 Cb 0.63 -1.53 -0.06 0.00 -0.61 0.00 0.00 39.78 38.21 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 -0.57 4.07 -0.09 3.52 -0.21 -0.00 -0.66 119.66 125.72 2k1g s GLN 128 Ca 0.00 0.60 -0.22 0.00 0.02 0.00 0.00 55.36 55.75 2k1g s GLN 128 Cb 0.00 -3.11 0.05 0.00 1.00 0.00 0.00 33.01 30.95 2k1g s GLN 128 CO 0.00 0.58 0.53 -0.59 -2.12 0.00 0.00 175.29 173.69 2k1g s PHE 129 N -1.25 -0.50 -0.15 0.91 -0.71 -0.57 -1.36 117.98 114.35 2k1g s PHE 129 Ca 0.32 1.00 -0.11 0.00 -1.04 0.00 0.00 56.93 57.10 2k1g s PHE 129 Cb -0.17 0.25 -0.05 0.00 -1.21 0.00 0.00 43.02 41.84 2k1g s PHE 129 CO 0.18 -0.44 0.20 0.54 -1.34 0.00 0.00 175.22 174.36 2k1g s VAL 130 N -0.73 5.38 0.22 -2.49 0.11 -0.71 -0.73 120.40 121.45 2k1g s VAL 130 Ca -0.08 0.34 -0.21 0.00 -2.93 0.00 0.00 61.98 59.11 2k1g s VAL 130 Cb -0.03 -3.51 0.04 0.00 -1.53 0.00 0.00 36.38 31.35 2k1g s VAL 130 CO 0.05 0.49 0.62 -1.38 -3.33 0.00 0.00 175.10 171.56 2k1g s HIS 131 N -0.15 -0.28 -0.75 1.54 -3.43 -0.07 -0.98 115.29 111.17 2k1g s HIS 131 Ca 0.14 -0.07 -0.20 0.00 -0.80 0.00 0.00 55.06 54.13 2k1g s HIS 131 Cb -0.12 0.57 0.11 0.00 -1.43 0.00 0.00 32.58 31.71 2k1g s HIS 131 CO 0.03 -1.02 0.93 0.00 -2.00 0.00 0.00 174.74 172.68 2k1g s ALA 132 N -3.85 3.36 0.36 -1.38 0.00 -1.26 -0.58 121.76 118.41 2k1g s ALA 132 Ca 0.07 -2.39 -0.27 0.00 0.00 0.00 0.00 51.96 49.38 2k1g s ALA 132 Cb -0.03 -3.81 -0.09 0.00 0.00 0.00 0.00 23.12 19.19 2k1g s ALA 132 CO -0.02 -2.69 1.19 0.45 0.00 0.00 0.00 175.76 174.69 2k1g s SER 133 N 3.54 6.70 0.27 0.00 0.15 0.66 -4.37 113.70 120.65 2k1g s SER 133 Ca 0.22 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.30 2k1g s SER 133 Cb -0.14 -2.63 0.55 0.00 -1.71 0.00 0.00 66.02 62.09 2k1g s SER 133 CO 0.01 -0.55 1.79 0.71 1.20 0.00 0.00 173.24 176.40 2k1g h THR 134 N 2.63 0.81 0.00 6.45 1.35 -1.95 -0.55 112.91 121.65 2k1g h THR 134 Ca -0.48 -0.27 -0.25 0.00 -0.55 0.00 0.00 66.41 64.86 2k1g h THR 134 Cb 1.23 -0.04 -0.04 0.00 -1.73 0.00 0.00 68.15 67.57 2k1g h THR 134 CO 0.64 0.14 -1.90 -0.24 -0.25 0.00 0.00 175.52 173.92 2k1g n SER 135 N -4.76 2.11 0.22 5.36 2.88 -1.26 -4.32 113.62 113.85 2k1g n SER 135 Ca 0.18 0.04 0.14 0.00 -1.33 0.00 0.00 58.87 57.89 2k1g n SER 135 Cb 0.41 -0.34 0.37 0.00 -0.75 0.00 0.00 64.21 63.89 2k1g n SER 135 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 2k1g h SER 136 N -0.25 0.00 -1.88 -3.46 0.02 -1.97 -3.45 113.55 102.56 2k1g h SER 136 Ca -0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 2k1g h SER 136 Cb 1.46 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.00 2k1g h SER 136 CO -0.14 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.16 2k1g n GLY 137 N 0.75 -1.78 3.55 -3.77 0.00 -0.21 -4.70 105.19 99.03 2k1g n GLY 137 Ca 0.03 -1.42 -0.32 0.00 0.00 0.00 0.00 46.02 44.31 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 0.00 3.20 0.37 1.61 1.01 0.71 -0.25 120.40 127.05 2k1g s VAL 138 Ca 0.00 0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.03 2k1g s VAL 138 Cb 0.00 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 2k1g s VAL 138 CO 0.00 -0.48 0.10 0.27 0.00 0.00 0.00 175.10 174.99 2k1g s ILE 139 N 11.18 0.84 -0.41 2.22 -4.36 0.25 -3.92 121.20 127.00 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 -0.13 -2.52 0.08 0.00 1.25 0.00 0.00 42.46 41.14 2k1g s ILE 139 CO 0.17 0.00 0.24 -0.63 0.24 0.00 0.00 174.94 174.97 2k1g s ILE 140 N -3.26 4.06 0.22 8.37 1.01 -1.26 -0.89 121.20 129.44 2k1g s ILE 140 Ca 0.29 -1.49 0.02 0.00 0.00 0.00 0.00 60.65 59.47 2k1g s ILE 140 Cb 0.05 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 39.05 2k1g s ILE 140 CO 0.14 -0.52 0.31 -1.20 0.00 0.00 0.00 174.94 173.67 2k1g n SER 141 N 4.86 0.63 -3.75 3.58 7.64 0.09 -4.83 113.62 121.85 2k1g n SER 141 Ca -0.09 -1.48 -0.12 0.00 1.01 0.00 0.00 58.87 58.18 2k1g n SER 141 Cb 0.43 -0.18 -0.12 0.00 -1.01 0.00 0.00 64.21 63.33 2k1g n SER 141 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2k1g s SER 142 N -2.33 -0.32 0.00 6.43 0.01 -1.26 -1.52 113.70 114.71 2k1g s SER 142 Ca 0.22 0.62 0.11 0.00 1.31 0.00 0.00 55.95 58.21 2k1g s SER 142 Cb -0.02 0.57 0.66 0.00 0.21 0.00 0.00 66.02 67.45 2k1g s SER 142 CO 0.14 -0.13 1.22 0.23 0.41 0.00 0.00 173.24 175.11 2k1g n MET 143 N 3.48 0.72 0.00 12.44 2.81 0.17 -1.56 117.12 135.18 2k1g n MET 143 Ca -0.18 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 55.85 2k1g n MET 143 Cb 0.56 -1.24 0.52 0.00 -0.71 0.00 0.00 33.22 32.35 2k1g n MET 143 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 2k1g n ASN 144 N -0.74 0.42 -4.74 7.83 0.23 -1.26 -3.70 115.26 113.30 2k1g n ASN 144 Ca 0.08 -0.30 -0.41 0.00 -0.53 0.00 0.00 54.58 53.42 2k1g n ASN 144 Cb 0.04 -0.08 -0.05 0.00 -2.08 0.00 0.00 39.78 37.61 2k1g n ASN 144 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 2k1g s GLU 145 N -2.70 4.72 0.21 -3.83 0.41 -0.60 -4.94 118.70 111.98 2k1g s GLU 145 Ca 0.22 1.56 -0.09 0.00 -0.41 0.00 0.00 54.97 56.24 2k1g s GLU 145 Cb 0.19 -3.31 0.32 0.00 -1.78 0.00 0.00 34.13 29.55 2k1g s GLU 145 CO 0.54 0.28 1.71 -1.00 -0.49 0.00 0.00 175.26 176.30 2k1g h PRO 146 N 4.85 0.28 -0.22 0.39 0.13 -1.89 0.91 132.00 136.45 2k1g h PRO 146 Ca -0.44 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2k1g h PRO 146 Cb 1.21 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2k1g h PRO 146 CO 0.70 0.19 0.13 -0.92 -0.23 0.00 0.00 178.00 177.87 2k1g h TYR 147 N 0.29 0.29 -0.19 1.56 3.20 -1.94 -2.59 116.97 117.59 2k1g h TYR 147 Ca 0.33 -0.00 -0.17 0.00 3.14 0.00 0.00 58.73 62.02 2k1g h TYR 147 Cb 0.49 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.66 2k1g h TYR 147 CO -0.23 0.23 -0.60 -1.49 -1.64 0.00 0.00 178.16 174.43 2k1g h TRP 148 N 0.27 0.79 -0.72 -3.82 4.06 -1.69 -2.31 115.95 112.53 2k1g h TRP 148 Ca 0.08 -0.29 0.02 0.00 2.06 0.00 0.00 58.89 60.75 2k1g h TRP 148 Cb 0.02 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.00 2k1g h TRP 148 CO -0.05 1.06 0.47 -0.22 -3.56 0.00 0.00 178.44 176.14 2k1g h LYS 149 N 0.46 0.91 -0.06 0.49 3.64 -0.77 0.15 116.57 121.39 2k1g h LYS 149 Ca -0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2k1g h LYS 149 Cb 1.16 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2k1g h LYS 149 CO 0.12 0.60 0.00 0.36 -2.27 0.00 0.00 179.45 178.26 2k1g n LYS 150 N -4.61 1.57 -0.00 1.90 2.85 -0.98 -3.61 118.16 115.27 2k1g n LYS 150 Ca 0.07 -0.83 0.06 0.00 -1.05 0.00 0.00 58.31 56.55 2k1g n LYS 150 Cb 0.04 -1.44 -0.08 0.00 -0.65 0.00 0.00 35.03 32.90 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 0.03 1.24 -1.56 -1.58 3.00 -0.69 -4.95 116.66 112.14 2k1g n ARG 151 Ca 0.18 -0.08 -0.45 0.00 -0.01 0.00 0.00 57.85 57.50 2k1g n ARG 151 Cb 0.30 -1.21 -0.04 0.00 0.00 0.00 0.00 32.46 31.51 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2k1g n TYR 152 N -1.72 1.85 -0.08 -1.55 9.36 0.46 -0.86 117.16 124.63 2k1g n TYR 152 Ca -0.01 -0.02 -0.11 0.00 3.32 0.00 0.00 57.90 61.09 2k1g n TYR 152 Cb 0.27 -2.67 -0.06 0.00 -0.63 0.00 0.00 39.34 36.24 2k1g n TYR 152 CO 0.00 0.00 0.00 -0.97 0.22 0.00 0.00 176.86 176.11 2k1g h ASN 153 N 14.55 0.00 -5.62 2.98 -1.24 -1.26 -3.48 115.58 121.51 2k1g h ASN 153 Ca -0.37 -0.36 0.29 0.00 0.71 0.00 0.00 56.30 56.57 2k1g h ASN 153 Cb 1.26 0.00 -0.11 0.00 0.73 0.00 0.00 38.32 40.20 2k1g h ASN 153 CO 0.98 0.96 0.74 -1.83 -1.29 0.00 0.00 177.43 176.99 2k1g s GLU 154 N -2.12 0.60 0.07 6.67 -1.05 -1.08 -5.04 118.70 116.75 2k1g s GLU 154 Ca -0.16 -0.33 0.09 0.00 -0.15 0.00 0.00 54.97 54.41 2k1g s GLU 154 Cb 0.02 0.21 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 2k1g s GLU 154 CO 0.38 -0.27 -0.23 0.00 0.95 0.00 0.00 175.26 176.08 2k1g s ALA 155 N -2.65 2.02 -0.05 -0.84 0.00 -1.25 -0.02 121.76 118.97 2k1g s ALA 155 Ca 0.13 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.84 2k1g s ALA 155 Cb 0.03 -0.37 0.02 0.00 0.00 0.00 0.00 23.12 22.81 2k1g s ALA 155 CO -0.02 0.45 0.11 1.03 0.00 0.00 0.00 175.76 177.33 2k1g s ARG 156 N -1.50 0.09 -0.32 0.00 0.52 0.45 -0.15 118.95 118.04 2k1g s ARG 156 Ca 0.10 0.23 -0.16 0.00 -0.52 0.00 0.00 55.73 55.38 2k1g s ARG 156 Cb -0.10 -0.07 -0.02 0.00 0.52 0.00 0.00 34.95 35.29 2k1g s ARG 156 CO 0.03 -0.09 0.41 -0.98 0.02 0.00 0.00 175.30 174.69 2k1g s ARG 157 N 0.60 3.75 0.00 3.54 3.03 0.16 -0.92 118.95 129.11 2k1g s ARG 157 Ca -0.05 -0.16 0.26 0.00 2.03 0.00 0.00 55.73 57.81 2k1g s ARG 157 Cb -0.06 -3.75 0.71 0.00 -1.03 0.00 0.00 34.95 30.82 2k1g s ARG 157 CO -0.03 -0.46 1.55 1.33 -1.13 0.00 0.00 175.30 176.56 2k1g n VAL 158 N 5.24 0.04 -2.56 4.99 0.24 -1.26 -2.04 118.33 122.98 2k1g n VAL 158 Ca -0.08 -0.37 -0.43 0.00 -2.04 0.00 0.00 64.34 61.43 2k1g n VAL 158 Cb 0.50 0.84 -0.02 0.00 -1.47 0.00 0.00 33.84 33.68 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 -1.94 3.60 -1.28 1.34 1.43 -1.26 -4.86 118.68 115.71 2k1g s LEU 159 Ca 0.34 0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.72 2k1g s LEU 159 Cb 0.20 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 42.96 2k1g s LEU 159 CO 0.32 -1.31 1.84 -1.20 0.23 0.00 0.00 176.35 176.22 2k1g n SER 160 N 8.07 4.43 -4.68 2.29 7.64 -1.26 -4.99 113.62 125.12 2k1g n SER 160 Ca 0.12 -2.87 -0.31 0.00 1.01 0.00 0.00 58.87 56.83 2k1g n SER 160 Cb 0.49 -1.72 0.16 0.00 -1.01 0.00 0.00 64.21 62.13 2k1g n SER 160 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k1g s ARG 161 N 4.49 1.12 -0.05 1.43 1.04 -1.26 -4.97 118.95 120.75 2k1g s ARG 161 Ca 0.56 1.30 0.14 0.00 -1.04 0.00 0.00 55.73 56.68 2k1g s ARG 161 Cb 0.05 -1.76 0.42 0.00 -2.04 0.00 0.00 34.95 31.62 2k1g s ARG 161 CO 0.07 -2.48 1.35 0.45 -0.04 0.00 0.00 175.30 174.65 2k1g n SER 162 N -4.11 3.39 -0.85 -2.89 2.88 -1.26 -5.02 113.62 105.78 2k1g n SER 162 Ca 0.10 -2.27 0.00 0.00 -1.33 0.00 0.00 58.87 55.37 2k1g n SER 162 Cb 0.53 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2k1g n SER 162 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k1g n LEU 163 N 0.43 0.00 0.00 2.46 -0.00 -1.26 -5.34 117.00 113.28 2k1g n LEU 163 Ca 0.16 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.21 2k1g n LEU 163 Cb 0.59 0.00 0.23 0.00 -0.00 0.00 0.00 43.42 44.24 2k1g n LEU 163 CO 0.12 0.00 0.46 -0.62 -0.00 0.00 0.00 177.39 177.34