#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 5.17 -1.10 7.83 -0.87 -1.26 -4.87 114.94 119.84 2k1g s ASN 37 Ca 0.00 2.41 -0.24 0.00 -1.57 0.00 0.00 52.86 53.46 2k1g s ASN 37 Cb 0.00 -2.60 -0.10 0.00 -0.02 0.00 0.00 41.25 38.53 2k1g s ASN 37 CO 0.00 -1.61 1.98 -0.69 -2.57 0.00 0.00 177.10 174.21 2k1g s VAL 38 N -1.57 3.44 0.20 1.60 1.01 -1.26 -4.93 120.40 118.88 2k1g s VAL 38 Ca 0.78 -0.67 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2k1g s VAL 38 Cb -0.31 -4.33 -0.08 0.00 0.00 0.00 0.00 36.38 31.66 2k1g s VAL 38 CO 0.33 -0.83 1.11 -0.62 0.00 0.00 0.00 175.10 175.09 2k1g s ASP 39 N 7.22 7.26 0.05 3.32 2.15 -1.26 -4.99 116.67 130.42 2k1g s ASP 39 Ca 0.71 2.13 -0.31 0.00 0.43 0.00 0.00 52.55 55.52 2k1g s ASP 39 Cb -0.03 -2.61 -0.16 0.00 -0.30 0.00 0.00 42.92 39.82 2k1g s ASP 39 CO 0.11 -0.21 1.46 0.58 -0.17 0.00 0.00 175.17 176.94 2k1g h VAL 40 N 3.60 0.00 -0.98 1.11 2.07 -1.93 -1.34 116.25 118.79 2k1g h VAL 40 Ca -0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.13 2k1g h VAL 40 Cb 1.21 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2k1g h VAL 40 CO 0.72 0.00 0.63 0.50 0.02 0.00 0.00 177.57 179.44 2k1g h LYS 41 N -1.04 1.13 -0.31 1.57 3.64 -1.92 -0.23 116.57 119.40 2k1g h LYS 41 Ca -0.10 -0.07 0.06 0.00 -1.27 0.00 0.00 60.65 59.27 2k1g h LYS 41 Cb 0.82 -0.26 -0.05 0.00 -0.41 0.00 0.00 32.23 32.33 2k1g h LYS 41 CO 0.13 0.75 -0.02 1.03 -2.27 0.00 0.00 179.45 179.06 2k1g h SER 42 N 1.17 -0.18 -0.07 4.20 0.87 -1.95 -0.38 113.55 117.21 2k1g h SER 42 Ca 0.41 0.08 -0.11 0.00 -1.23 0.00 0.00 61.79 60.94 2k1g h SER 42 Cb 0.12 0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 62.22 2k1g h SER 42 CO -0.16 -0.05 -0.30 0.03 -0.53 0.00 0.00 176.83 175.81 2k1g h ARG 43 N 0.06 0.54 -0.10 2.24 -0.00 -0.25 0.13 114.38 117.01 2k1g h ARG 43 Ca 0.15 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.98 59.40 2k1g h ARG 43 Cb 0.21 -0.02 -0.00 0.00 0.00 0.00 0.00 29.97 30.16 2k1g h ARG 43 CO -0.28 0.79 0.05 0.82 0.00 0.00 0.00 179.97 181.35 2k1g h ILE 44 N 0.47 1.12 -0.40 2.04 2.04 -0.70 -0.57 117.51 121.49 2k1g h ILE 44 Ca 0.06 -0.33 -0.11 0.00 1.00 0.00 0.00 64.86 65.48 2k1g h ILE 44 Cb 0.76 1.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 2k1g h ILE 44 CO 0.06 0.10 -0.18 0.24 0.00 0.00 0.00 178.15 178.38 2k1g h MET 45 N 0.03 0.77 -0.56 2.37 2.86 -0.99 -0.73 114.93 118.69 2k1g h MET 45 Ca 0.03 -0.29 0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2k1g h MET 45 Cb 0.12 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 2k1g h MET 45 CO -0.00 0.89 0.29 0.22 1.06 0.00 0.00 176.91 179.37 2k1g h ASP 46 N 0.68 0.42 -0.22 1.22 1.82 -0.55 0.92 116.42 120.70 2k1g h ASP 46 Ca 0.10 0.03 -0.04 0.00 -0.39 0.00 0.00 57.03 56.73 2k1g h ASP 46 Cb 0.67 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 2k1g h ASP 46 CO 0.05 0.28 -0.02 -0.61 -1.61 0.00 0.00 179.24 177.33 2k1g h GLN 47 N 0.55 0.40 -0.67 0.28 5.75 -0.94 -3.10 115.11 117.38 2k1g h GLN 47 Ca 0.25 -0.14 0.09 0.00 -0.15 0.00 0.00 58.65 58.71 2k1g h GLN 47 Cb 0.16 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2k1g h GLN 47 CO -0.17 0.61 0.45 -0.92 -2.65 0.00 0.00 178.83 176.15 2k1g h TYR 48 N 0.15 0.58 -0.09 3.99 3.20 -0.66 -1.06 116.97 123.09 2k1g h TYR 48 Ca 0.06 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.97 2k1g h TYR 48 Cb 0.44 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.52 2k1g h TYR 48 CO 0.04 0.28 0.27 0.00 -1.64 0.00 0.00 178.16 177.11 2k1g h ALA 49 N 1.66 1.47 0.00 1.82 0.00 -0.75 0.18 119.26 123.63 2k1g h ALA 49 Ca 0.31 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 55.04 2k1g h ALA 49 Cb 0.49 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 2k1g h ALA 49 CO -0.10 -0.32 -1.34 0.22 0.00 0.00 0.00 179.25 177.71 2k1g h ASP 50 N 0.00 0.00 -0.31 0.00 3.58 -1.33 -3.38 116.42 114.99 2k1g h ASP 50 Ca 0.04 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2k1g h ASP 50 Cb 0.58 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.63 2k1g h ASP 50 CO -0.00 0.62 0.00 0.79 -2.88 0.00 0.00 179.24 177.77 2k1g n TRP 51 N -2.95 0.54 -1.66 0.28 7.02 0.43 -4.98 117.44 116.13 2k1g n TRP 51 Ca -0.09 -0.59 -0.39 0.00 -1.02 0.00 0.00 57.50 55.41 2k1g n TRP 51 Cb 0.85 -0.09 -0.03 0.00 -2.42 0.00 0.00 31.31 29.62 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 -1.42 2.52 0.00 -0.99 1.02 -0.11 -2.18 119.74 118.58 2k1g s LYS 52 Ca 0.26 1.47 0.00 0.00 0.02 0.00 0.00 55.97 57.72 2k1g s LYS 52 Cb 0.16 -4.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.00 2k1g s LYS 52 CO 0.13 -2.81 0.00 0.41 -0.92 0.00 0.00 175.35 172.16 2k1g n GLY 53 N 5.86 0.81 3.75 -3.33 0.00 -1.26 -5.07 105.19 105.97 2k1g n GLY 53 Ca 0.32 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.93 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 3.32 0.69 1.61 1.01 -0.93 -4.80 120.40 119.30 2k1g s VAL 54 Ca 0.00 1.25 -0.11 0.00 0.00 0.00 0.00 61.98 63.12 2k1g s VAL 54 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2k1g s VAL 54 CO 0.00 0.27 1.07 -0.13 0.00 0.00 0.00 175.10 176.31 2k1g s ARG 55 N -1.14 3.04 -0.28 2.72 1.81 -1.26 -0.98 118.95 122.85 2k1g s ARG 55 Ca 0.48 0.64 -0.25 0.00 -1.72 0.00 0.00 55.73 54.88 2k1g s ARG 55 Cb -0.34 -2.03 0.00 0.00 -0.45 0.00 0.00 34.95 32.14 2k1g s ARG 55 CO 0.42 -0.95 0.88 -0.47 -0.68 0.00 0.00 175.30 174.51 2k1g s TYR 56 N -3.24 3.25 -0.04 -0.53 5.04 -1.25 -0.36 117.35 120.21 2k1g s TYR 56 Ca 0.57 1.08 -0.01 0.00 -2.44 0.00 0.00 57.07 56.27 2k1g s TYR 56 Cb -0.12 -3.25 0.03 0.00 0.35 0.00 0.00 41.96 38.97 2k1g s TYR 56 CO 0.53 -0.53 0.02 0.50 -1.34 0.00 0.00 175.55 174.73 2k1g s ARG 57 N 3.07 0.24 -0.19 4.97 3.52 -0.81 -4.70 118.95 125.04 2k1g s ARG 57 Ca 0.37 0.19 -0.29 0.00 -0.13 0.00 0.00 55.73 55.87 2k1g s ARG 57 Cb -0.14 -0.62 -0.03 0.00 -1.56 0.00 0.00 34.95 32.60 2k1g s ARG 57 CO 0.10 -0.25 1.53 -0.51 -0.81 0.00 0.00 175.30 175.36 2k1g s LEU 58 N 1.69 4.00 0.00 -0.88 1.43 -1.26 -0.94 118.68 122.73 2k1g s LEU 58 Ca -0.00 1.68 0.00 0.00 -1.03 0.00 0.00 54.13 54.78 2k1g s LEU 58 Cb -0.13 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.56 2k1g s LEU 58 CO -0.03 -1.11 0.00 0.61 0.23 0.00 0.00 176.35 176.05 2k1g n GLY 59 N 4.38 2.15 2.86 -3.19 0.00 -1.26 -4.88 105.19 105.25 2k1g n GLY 59 Ca 0.17 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.45 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 3.35 3.59 -0.02 0.00 -1.26 -4.92 105.19 105.93 2k1g n GLY 60 Ca 0.00 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.27 2k1g n GLY 60 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k1g s SER 61 N 4.01 5.90 0.20 1.61 0.01 -1.26 -4.34 113.70 119.83 2k1g s SER 61 Ca 0.53 1.10 -0.22 0.00 1.31 0.00 0.00 55.95 58.66 2k1g s SER 61 Cb 0.14 -2.53 0.07 0.00 0.21 0.00 0.00 66.02 63.91 2k1g s SER 61 CO 0.02 -1.74 0.98 0.28 0.41 0.00 0.00 173.24 173.19 2k1g s THR 62 N 6.89 0.00 -1.17 1.44 -1.32 0.34 -4.99 115.64 116.83 2k1g s THR 62 Ca 0.75 -0.67 0.11 0.00 -1.21 0.00 0.00 61.69 60.67 2k1g s THR 62 Cb -0.20 -2.54 0.14 0.00 -1.51 0.00 0.00 72.50 68.39 2k1g s THR 62 CO 0.32 0.00 1.32 0.29 -2.21 0.00 0.00 174.62 174.34 2k1g n LYS 63 N -0.59 0.07 -0.26 7.08 4.76 -1.26 -0.88 118.16 127.08 2k1g n LYS 63 Ca -0.05 0.25 0.11 0.00 -2.87 0.00 0.00 58.31 55.75 2k1g n LYS 63 Cb 0.60 -1.50 0.27 0.00 -1.84 0.00 0.00 35.03 32.56 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2k1g n LYS 64 N -1.41 2.41 0.00 1.97 4.01 -1.26 -4.77 118.16 119.10 2k1g n LYS 64 Ca 0.04 -2.16 0.00 0.00 -0.51 0.00 0.00 58.31 55.67 2k1g n LYS 64 Cb 0.12 -1.49 0.00 0.00 -0.51 0.00 0.00 35.03 33.15 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 1.47 4.04 3.40 0.72 0.00 -0.06 -4.81 105.19 109.95 2k1g n GLY 65 Ca 0.20 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.46 0.01 0.30 -0.61 2.07 0.51 -0.50 121.20 122.52 2k1g s ILE 66 Ca 0.00 -0.11 0.03 0.00 -1.41 0.00 0.00 60.65 59.15 2k1g s ILE 66 Cb 0.00 -0.76 0.05 0.00 0.13 0.00 0.00 42.46 41.88 2k1g s ILE 66 CO 0.00 -0.06 0.41 -0.90 -1.91 0.00 0.00 174.94 172.48 2k1g n ASP 67 N 2.02 0.84 0.06 4.50 5.75 -0.11 -1.93 116.55 127.67 2k1g n ASP 67 Ca -0.17 -1.64 -0.13 0.00 -0.01 0.00 0.00 54.79 52.84 2k1g n ASP 67 Cb 0.56 -0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 40.34 2k1g n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2k1g h SER 69 N -0.22 0.60 -0.48 0.00 0.02 -1.85 -1.74 113.55 109.89 2k1g h SER 69 Ca -0.01 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.67 2k1g h SER 69 Cb 0.19 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 2k1g h SER 69 CO 0.01 0.91 0.24 1.23 -1.14 0.00 0.00 176.83 178.09 2k1g h GLY 70 N 1.04 0.72 0.70 -3.77 0.00 -1.73 -0.50 103.07 99.53 2k1g h GLY 70 Ca 0.05 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 2k1g h GLY 70 CO 0.07 0.33 -0.03 -2.75 0.00 0.00 0.00 176.54 174.17 2k1g h PHE 71 N 0.63 -0.07 -0.69 5.60 3.57 -0.77 -1.03 116.94 124.18 2k1g h PHE 71 Ca 0.17 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2k1g h PHE 71 Cb 0.09 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 2k1g h PHE 71 CO -0.01 0.24 0.37 -0.24 -2.23 0.00 0.00 178.31 176.43 2k1g h VAL 72 N -0.37 1.21 0.41 1.41 3.04 -1.36 -0.60 116.25 119.99 2k1g h VAL 72 Ca -0.01 -0.53 -0.01 0.00 -1.01 0.00 0.00 66.70 65.14 2k1g h VAL 72 Cb 0.33 0.29 -0.03 0.00 -2.01 0.00 0.00 31.29 29.87 2k1g h VAL 72 CO 0.01 0.23 -0.49 -0.61 -1.01 0.00 0.00 177.57 175.71 2k1g h GLN 73 N 0.96 -0.89 -0.03 4.17 4.15 -0.98 -2.57 115.11 119.92 2k1g h GLN 73 Ca 0.24 0.06 0.04 0.00 0.77 0.00 0.00 58.65 59.76 2k1g h GLN 73 Cb 0.04 0.20 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 2k1g h GLN 73 CO -0.04 -0.59 -0.34 0.00 -1.93 0.00 0.00 178.83 175.92 2k1g h ARG 74 N -0.93 -0.46 -0.28 1.69 2.47 -0.81 -0.92 114.38 115.14 2k1g h ARG 74 Ca -0.04 0.03 0.06 0.00 -1.26 0.00 0.00 59.98 58.77 2k1g h ARG 74 Cb 0.83 0.10 -0.08 0.00 -1.65 0.00 0.00 29.97 29.17 2k1g h ARG 74 CO -0.11 -0.31 -0.39 1.15 0.56 0.00 0.00 179.97 180.87 2k1g h THR 75 N -0.48 0.16 -0.03 2.04 2.02 -1.09 -2.47 112.91 113.07 2k1g h THR 75 Ca 0.07 0.00 -0.20 0.00 0.77 0.00 0.00 66.41 67.04 2k1g h THR 75 Cb 0.58 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.15 2k1g h THR 75 CO -0.30 0.00 -0.84 -0.26 0.37 0.00 0.00 175.52 174.49 2k1g h PHE 76 N -0.37 0.52 -0.58 3.16 -1.00 -1.38 -2.09 116.94 115.20 2k1g h PHE 76 Ca 0.12 -0.26 -0.10 0.00 2.81 0.00 0.00 57.97 60.54 2k1g h PHE 76 Cb 0.59 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 40.06 2k1g h PHE 76 CO -0.54 1.05 -0.03 0.07 -1.61 0.00 0.00 178.31 177.25 2k1g h ARG 77 N 0.22 1.04 0.00 1.51 0.11 -0.88 0.54 114.38 116.93 2k1g h ARG 77 Ca -0.05 -0.34 -0.11 0.00 0.10 0.00 0.00 59.98 59.57 2k1g h ARG 77 Cb 1.45 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 32.42 2k1g h ARG 77 CO 0.14 1.04 -2.00 -0.85 0.10 0.00 0.00 179.97 178.40 2k1g n GLU 78 N -4.17 0.75 -0.04 0.08 0.28 -0.96 -3.26 120.64 113.32 2k1g n GLU 78 Ca 0.03 -0.12 -0.02 0.00 -0.16 0.00 0.00 57.16 56.88 2k1g n GLU 78 Cb 0.36 -1.46 -0.01 0.00 1.43 0.00 0.00 31.44 31.77 2k1g n GLU 78 CO 0.00 0.00 0.00 1.96 -0.16 0.00 0.00 177.13 178.93 2k1g h GLN 79 N 0.00 0.00 0.00 3.44 1.08 -1.47 -3.41 115.11 114.74 2k1g h GLN 79 Ca -0.16 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2k1g h GLN 79 Cb 1.30 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 2k1g h GLN 79 CO 0.01 0.00 -0.70 0.74 -0.95 0.00 0.00 178.83 177.93 2k1g h PHE 80 N -0.69 0.00 -2.82 2.96 0.04 -1.56 -3.49 116.94 111.38 2k1g h PHE 80 Ca 0.00 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.66 2k1g h PHE 80 Cb 0.25 0.00 0.05 0.00 2.20 0.00 0.00 35.95 38.45 2k1g h PHE 80 CO -0.11 0.00 -0.22 0.41 -0.60 0.00 0.00 178.31 177.79 2k1g n GLY 81 N 1.22 0.34 3.67 -1.45 0.00 0.17 -4.99 105.19 104.15 2k1g n GLY 81 Ca 0.02 -0.34 -0.35 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.16 3.65 -1.03 0.99 2.96 -0.16 -4.94 118.68 117.00 2k1g s LEU 82 Ca 0.09 0.13 -0.23 0.00 -0.22 0.00 0.00 54.13 53.90 2k1g s LEU 82 Cb -0.04 -1.86 0.03 0.00 0.50 0.00 0.00 46.19 44.82 2k1g s LEU 82 CO 0.23 0.32 1.58 -1.61 -1.32 0.00 0.00 176.35 175.55 2k1g s GLU 83 N -0.51 3.41 -0.12 1.98 8.01 -1.26 -3.67 118.70 126.53 2k1g s GLU 83 Ca 0.09 -1.05 -0.05 0.00 0.01 0.00 0.00 54.97 53.97 2k1g s GLU 83 Cb -0.12 -5.32 -0.04 0.00 -4.31 0.00 0.00 34.13 24.34 2k1g s GLU 83 CO 0.02 -2.48 0.07 -0.51 0.01 0.00 0.00 175.26 172.37 2k1g s LEU 84 N 6.02 3.96 0.00 1.80 1.43 -1.26 -5.11 118.68 125.52 2k1g s LEU 84 Ca 0.52 0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.89 2k1g s LEU 84 Cb -0.01 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.26 2k1g s LEU 84 CO -0.06 0.35 0.00 -0.81 0.23 0.00 0.00 176.35 176.07 2k1g n PRO 85 N 2.33 0.76 -0.10 1.29 -0.04 -1.26 -4.97 135.00 133.01 2k1g n PRO 85 Ca -0.19 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 2k1g n PRO 85 Cb 0.54 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.86 2k1g n PRO 85 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2k1g n ARG 86 N -0.20 0.94 -4.33 0.54 5.12 -1.26 -4.78 116.66 112.68 2k1g n ARG 86 Ca 0.00 0.02 -0.30 0.00 -1.93 0.00 0.00 57.85 55.64 2k1g n ARG 86 Cb 0.00 -1.47 -0.11 0.00 -1.16 0.00 0.00 32.46 29.73 2k1g n ARG 86 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2k1g s SER 87 N -5.44 4.18 0.25 0.55 0.01 -1.26 -4.34 113.70 107.65 2k1g s SER 87 Ca -0.13 -0.42 -0.04 0.00 1.31 0.00 0.00 55.95 56.67 2k1g s SER 87 Cb 0.06 -0.74 0.42 0.00 0.21 0.00 0.00 66.02 65.96 2k1g s SER 87 CO 0.71 0.20 1.79 0.74 0.41 0.00 0.00 173.24 177.09 2k1g h THR 88 N 3.48 0.85 -0.26 1.44 2.02 -1.94 0.19 112.91 118.69 2k1g h THR 88 Ca -0.49 -0.25 0.08 0.00 0.77 0.00 0.00 66.41 66.52 2k1g h THR 88 Cb 1.17 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 2k1g h THR 88 CO 0.50 0.13 0.19 1.88 0.37 0.00 0.00 175.52 178.59 2k1g h TYR 89 N 0.72 0.00 0.15 3.16 -1.99 -1.95 -0.11 116.97 116.94 2k1g h TYR 89 Ca 0.40 0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.90 2k1g h TYR 89 Cb 0.43 0.00 0.02 0.00 2.00 0.00 0.00 36.73 39.18 2k1g h TYR 89 CO -0.08 0.00 -1.09 0.93 -0.00 0.00 0.00 178.16 177.93 2k1g h GLU 90 N 0.00 0.32 -0.50 4.88 5.08 -1.45 -3.37 114.58 119.54 2k1g h GLU 90 Ca 0.12 -0.54 0.08 0.00 -1.00 0.00 0.00 59.36 58.02 2k1g h GLU 90 Cb 0.50 0.20 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 2k1g h GLU 90 CO -0.00 1.26 0.13 1.96 -1.00 0.00 0.00 179.01 181.36 2k1g h GLN 91 N -0.28 0.28 0.00 2.33 1.08 -0.01 -2.12 115.11 116.38 2k1g h GLN 91 Ca -0.21 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 56.97 2k1g h GLN 91 Cb 1.75 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 29.12 2k1g h GLN 91 CO 0.14 0.18 -0.03 -0.56 -0.95 0.00 0.00 178.83 177.61 2k1g h GLN 92 N 0.28 0.00 -0.11 1.46 3.07 -1.23 -0.85 115.11 117.73 2k1g h GLN 92 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.99 2k1g h GLN 92 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.86 2k1g h GLN 92 CO -0.29 0.03 0.00 0.39 0.09 0.00 0.00 178.83 179.05 2k1g n GLU 93 N -3.55 1.86 0.07 0.06 1.02 -0.80 -3.72 120.64 115.58 2k1g n GLU 93 Ca -0.03 -1.27 0.12 0.00 -0.02 0.00 0.00 57.16 55.97 2k1g n GLU 93 Cb 0.13 -1.45 0.25 0.00 -0.02 0.00 0.00 31.44 30.35 2k1g n GLU 93 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k1g n MET 94 N 0.51 0.27 -3.95 3.49 2.81 -0.32 -4.91 117.12 115.02 2k1g n MET 94 Ca 0.17 0.13 -0.09 0.00 -1.81 0.00 0.00 57.70 56.09 2k1g n MET 94 Cb 0.40 -1.72 -0.10 0.00 -0.71 0.00 0.00 33.22 31.09 2k1g n MET 94 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2k1g s GLY 95 N -3.61 0.19 0.39 3.03 0.00 -1.24 -4.62 107.32 101.46 2k1g s GLY 95 Ca 0.08 -0.52 -0.17 0.00 0.00 0.00 0.00 44.72 44.10 2k1g s GLY 95 CO 0.68 -0.64 0.85 0.54 0.00 0.00 0.00 173.10 174.53 2k1g s LYS 96 N -2.05 4.07 0.64 2.90 -0.14 -1.22 -4.60 119.74 119.33 2k1g s LYS 96 Ca -0.10 0.86 -0.12 0.00 -1.36 0.00 0.00 55.97 55.24 2k1g s LYS 96 Cb -0.05 -2.30 -0.02 0.00 -1.68 0.00 0.00 37.83 33.78 2k1g s LYS 96 CO -0.02 0.03 1.04 -1.54 -0.76 0.00 0.00 175.35 174.10 2k1g s SER 97 N -2.39 5.79 0.28 2.83 1.04 -1.26 -1.50 113.70 118.50 2k1g s SER 97 Ca 0.57 1.60 -0.03 0.00 0.48 0.00 0.00 55.95 58.57 2k1g s SER 97 Cb -0.10 -2.50 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 2k1g s SER 97 CO 0.18 -1.16 0.35 0.68 0.98 0.00 0.00 173.24 174.26 2k1g s VAL 98 N -2.92 0.00 0.55 5.02 -7.23 0.61 -4.88 120.40 111.55 2k1g s VAL 98 Ca 0.58 -1.73 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 2k1g s VAL 98 Cb -0.13 -2.47 0.04 0.00 0.56 0.00 0.00 36.38 34.37 2k1g s VAL 98 CO 0.49 0.00 0.35 -0.55 -0.31 0.00 0.00 175.10 175.08 2k1g s SER 99 N -3.18 4.53 0.47 4.85 0.15 -1.26 -3.58 113.70 115.68 2k1g s SER 99 Ca 0.33 -1.36 0.26 0.00 0.70 0.00 0.00 55.95 55.87 2k1g s SER 99 Cb 0.02 0.56 1.30 0.00 -1.71 0.00 0.00 66.02 66.19 2k1g s SER 99 CO 0.16 -1.13 1.83 0.03 1.20 0.00 0.00 173.24 175.34 2k1g h ARG 100 N 0.79 0.20 0.00 5.44 2.47 -2.01 -0.25 114.38 121.03 2k1g h ARG 100 Ca -0.37 -0.01 -0.18 0.00 -1.26 0.00 0.00 59.98 58.16 2k1g h ARG 100 Cb 1.31 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.56 2k1g h ARG 100 CO 0.59 0.13 -0.85 0.66 0.56 0.00 0.00 179.97 181.07 2k1g h SER 101 N 0.21 0.00 -0.31 7.04 4.64 -2.03 -3.32 113.55 119.78 2k1g h SER 101 Ca 0.51 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.82 2k1g h SER 101 Cb 1.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.72 2k1g h SER 101 CO -0.13 0.85 0.00 0.59 -0.87 0.00 0.00 176.83 177.27 2k1g n ASN 102 N -3.52 4.09 -4.75 4.97 3.02 -0.14 -5.01 115.26 113.92 2k1g n ASN 102 Ca -0.00 -3.04 -0.41 0.00 -0.03 0.00 0.00 54.58 51.09 2k1g n ASN 102 Cb 0.81 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.85 4.36 0.07 3.41 1.43 -0.96 -4.73 118.68 119.41 2k1g s LEU 103 Ca 0.44 2.84 0.04 0.00 -1.03 0.00 0.00 54.13 56.42 2k1g s LEU 103 Cb 0.36 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.91 2k1g s LEU 103 CO 0.10 -0.83 -0.01 -0.13 0.23 0.00 0.00 176.35 175.71 2k1g s ARG 104 N -0.48 2.59 -0.32 1.70 1.81 -1.26 -5.05 118.95 117.94 2k1g s ARG 104 Ca 0.61 -0.79 -0.29 0.00 -1.72 0.00 0.00 55.73 53.55 2k1g s ARG 104 Cb -0.45 -2.56 -0.02 0.00 -0.45 0.00 0.00 34.95 31.47 2k1g s ARG 104 CO 0.46 0.56 1.73 0.99 -0.68 0.00 0.00 175.30 178.36 2k1g s THR 105 N -1.25 3.55 0.00 0.02 2.01 -1.26 -1.40 115.64 117.31 2k1g s THR 105 Ca 0.24 0.57 0.00 0.00 0.31 0.00 0.00 61.69 62.81 2k1g s THR 105 Cb -0.12 -3.71 0.00 0.00 0.01 0.00 0.00 72.50 68.68 2k1g s THR 105 CO 0.16 -0.43 0.00 0.61 -0.69 0.00 0.00 174.62 174.27 2k1g n GLY 106 N 5.26 1.00 3.81 4.40 0.00 0.55 -4.87 105.19 115.35 2k1g n GLY 106 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 2k1g n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k1g s ASP 107 N -2.00 6.29 -0.43 1.61 -1.08 -0.49 -4.72 116.67 115.84 2k1g s ASP 107 Ca 0.00 1.79 -0.15 0.00 -0.52 0.00 0.00 52.55 53.67 2k1g s ASP 107 Cb 0.00 -2.54 0.04 0.00 -1.46 0.00 0.00 42.92 38.96 2k1g s ASP 107 CO 0.00 -0.82 0.34 -0.76 0.52 0.00 0.00 175.17 174.45 2k1g s LEU 108 N -3.90 5.28 -0.23 -1.34 1.43 -0.20 -0.73 118.68 118.98 2k1g s LEU 108 Ca 0.64 -1.04 -0.14 0.00 -1.03 0.00 0.00 54.13 52.56 2k1g s LEU 108 Cb -0.14 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 2k1g s LEU 108 CO 0.27 -0.52 0.33 0.68 0.23 0.00 0.00 176.35 177.33 2k1g s VAL 109 N 1.69 5.24 -0.03 -1.59 -7.23 -0.68 -0.37 120.40 117.43 2k1g s VAL 109 Ca 0.05 0.54 -0.18 0.00 -1.81 0.00 0.00 61.98 60.57 2k1g s VAL 109 Cb -0.21 -3.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2k1g s VAL 109 CO 0.09 0.25 0.51 -0.76 -0.31 0.00 0.00 175.10 174.88 2k1g s LEU 110 N 1.42 4.40 0.01 1.32 1.43 0.42 -1.69 118.68 125.99 2k1g s LEU 110 Ca 0.15 1.02 0.08 0.00 -1.03 0.00 0.00 54.13 54.35 2k1g s LEU 110 Cb -0.15 -2.76 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 2k1g s LEU 110 CO 0.08 0.15 -0.26 -0.36 0.23 0.00 0.00 176.35 176.19 2k1g s PHE 111 N -0.29 2.30 -0.74 0.29 0.08 0.55 -1.12 117.98 119.05 2k1g s PHE 111 Ca 0.27 -0.43 -0.26 0.00 0.12 0.00 0.00 56.93 56.64 2k1g s PHE 111 Cb -0.17 -1.44 -0.01 0.00 -0.57 0.00 0.00 43.02 40.83 2k1g s PHE 111 CO 0.14 0.03 1.75 1.03 -0.10 0.00 0.00 175.22 178.07 2k1g s ARG 112 N -0.88 2.79 -0.26 0.44 0.52 0.36 -1.83 118.95 120.10 2k1g s ARG 112 Ca 0.11 0.08 0.01 0.00 -0.52 0.00 0.00 55.73 55.40 2k1g s ARG 112 Cb -0.10 -4.61 0.07 0.00 0.52 0.00 0.00 34.95 30.83 2k1g s ARG 112 CO 0.00 -2.75 -0.00 0.00 0.02 0.00 0.00 175.30 172.57 2k1g s ALA 113 N 8.39 1.92 0.54 2.13 0.00 -1.23 -4.83 121.76 128.67 2k1g s ALA 113 Ca 0.60 -1.50 0.25 0.00 0.00 0.00 0.00 51.96 51.31 2k1g s ALA 113 Cb -0.09 -1.51 1.44 0.00 0.00 0.00 0.00 23.12 22.95 2k1g s ALA 113 CO 0.11 -1.34 2.02 0.78 0.00 0.00 0.00 175.76 177.34 2k1g h GLY 114 N 7.96 0.00 1.71 0.00 0.00 -1.92 0.86 103.07 111.68 2k1g h GLY 114 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2k1g h GLY 114 CO 0.43 0.00 0.13 1.76 0.00 0.00 0.00 176.54 178.86 2k1g h SER 115 N 0.00 0.34 0.00 0.19 0.02 -2.00 -3.25 113.55 108.84 2k1g h SER 115 Ca 0.20 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 2k1g h SER 115 Cb 0.84 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2k1g h SER 115 CO -0.00 0.30 0.00 0.35 -1.14 0.00 0.00 176.83 176.34 2k1g n THR 116 N -4.44 0.00 0.00 -2.27 -2.24 -0.67 -5.03 114.28 99.64 2k1g n THR 116 Ca 0.01 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2k1g n THR 116 Cb 0.12 1.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 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 0.04 1.31 2.96 3.38 0.00 0.29 -4.78 105.19 108.38 2k1g n GLY 117 Ca 0.00 -0.02 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 1.86 0.09 1.61 1.81 -1.26 -3.57 118.95 119.50 2k1g s ARG 118 Ca 0.00 -0.55 0.02 0.00 -1.72 0.00 0.00 55.73 53.48 2k1g s ARG 118 Cb 0.00 -2.04 -0.04 0.00 -0.45 0.00 0.00 34.95 32.42 2k1g s ARG 118 CO 0.00 -0.33 0.18 -1.58 -0.68 0.00 0.00 175.30 172.88 2k1g s HIS 119 N 1.55 3.38 -0.01 -0.53 5.65 -0.76 -4.77 115.29 119.80 2k1g s HIS 119 Ca 0.03 0.15 0.01 0.00 0.25 0.00 0.00 55.06 55.49 2k1g s HIS 119 Cb -0.14 -1.67 0.00 0.00 -1.18 0.00 0.00 32.58 29.59 2k1g s HIS 119 CO -0.09 0.55 -0.03 0.54 -0.65 0.00 0.00 174.74 175.06 2k1g s VAL 120 N -1.55 0.24 0.10 0.89 0.11 -1.26 -0.33 120.40 118.60 2k1g s VAL 120 Ca 0.33 -0.09 0.05 0.00 -2.93 0.00 0.00 61.98 59.34 2k1g s VAL 120 Cb -0.12 -0.24 -0.03 0.00 -1.53 0.00 0.00 36.38 34.46 2k1g s VAL 120 CO 0.26 0.09 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.16 2k1g s GLY 121 N 0.17 0.92 -0.59 6.54 0.00 -0.68 -4.72 107.32 108.96 2k1g s GLY 121 Ca -0.01 -1.15 -0.23 0.00 0.00 0.00 0.00 44.72 43.33 2k1g s GLY 121 CO -0.00 -1.21 0.91 -0.42 0.00 0.00 0.00 173.10 172.37 2k1g s ILE 122 N -1.96 4.43 -0.11 0.90 1.01 -0.17 -1.68 121.20 123.63 2k1g s ILE 122 Ca 0.04 -0.09 -0.29 0.00 0.00 0.00 0.00 60.65 60.31 2k1g s ILE 122 Cb -0.06 -4.56 -0.06 0.00 0.01 0.00 0.00 42.46 37.79 2k1g s ILE 122 CO 0.02 -1.21 1.87 -0.47 0.00 0.00 0.00 174.94 175.15 2k1g s TYR 123 N 3.81 1.61 -0.15 3.97 5.04 0.09 -1.44 117.35 130.27 2k1g s TYR 123 Ca 0.25 0.15 0.16 0.00 -2.44 0.00 0.00 57.07 55.19 2k1g s TYR 123 Cb -0.15 -4.05 -0.23 0.00 0.35 0.00 0.00 41.96 37.88 2k1g s TYR 123 CO 0.15 -4.20 0.11 0.44 -1.34 0.00 0.00 175.55 170.70 2k1g n ILE 124 N 6.26 1.02 0.00 3.14 -5.35 -0.66 -0.33 119.36 123.44 2k1g n ILE 124 Ca 0.21 -0.70 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2k1g n ILE 124 Cb 0.43 -0.45 0.00 0.00 -1.74 0.00 0.00 39.64 37.89 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 1.85 2.15 5.25 3.28 0.00 -1.05 -4.81 105.19 111.86 2k1g n GLY 125 Ca -0.25 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.00 1.61 3.02 -1.26 -0.90 115.26 117.73 2k1g n ASN 126 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2k1g n ASN 126 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 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 2.36 0.00 -4.86 6.41 4.13 -1.26 -5.01 115.26 117.03 2k1g n ASN 127 Ca 0.00 -0.70 -0.36 0.00 1.68 0.00 0.00 54.58 55.21 2k1g n ASN 127 Cb 0.00 0.00 -0.06 0.00 -1.54 0.00 0.00 39.78 38.18 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 2k1g s GLN 128 N 0.00 3.83 -0.09 3.52 -0.21 -0.08 -0.26 119.66 126.38 2k1g s GLN 128 Ca 0.00 0.28 -0.18 0.00 0.02 0.00 0.00 55.36 55.48 2k1g s GLN 128 Cb 0.00 -3.04 0.04 0.00 1.00 0.00 0.00 33.01 31.01 2k1g s GLN 128 CO 0.00 0.58 0.43 -0.59 -2.12 0.00 0.00 175.29 173.59 2k1g s PHE 129 N -1.34 -0.39 -0.16 0.91 -0.71 -0.24 -1.65 117.98 114.40 2k1g s PHE 129 Ca 0.32 0.81 -0.10 0.00 -1.04 0.00 0.00 56.93 56.92 2k1g s PHE 129 Cb -0.15 0.18 -0.05 0.00 -1.21 0.00 0.00 43.02 41.80 2k1g s PHE 129 CO 0.17 -0.36 0.16 0.54 -1.34 0.00 0.00 175.22 174.39 2k1g s VAL 130 N -0.65 5.42 0.32 -2.49 0.11 -0.52 -0.64 120.40 121.96 2k1g s VAL 130 Ca -0.07 0.26 -0.18 0.00 -2.93 0.00 0.00 61.98 59.06 2k1g s VAL 130 Cb -0.03 -3.47 0.06 0.00 -1.53 0.00 0.00 36.38 31.40 2k1g s VAL 130 CO 0.04 0.50 0.86 -1.38 -3.33 0.00 0.00 175.10 171.79 2k1g s HIS 131 N -0.16 0.10 -0.41 1.54 -3.43 -0.18 -0.99 115.29 111.75 2k1g s HIS 131 Ca 0.12 -0.69 -0.16 0.00 -0.80 0.00 0.00 55.06 53.53 2k1g s HIS 131 Cb -0.12 0.80 0.02 0.00 -1.43 0.00 0.00 32.58 31.85 2k1g s HIS 131 CO 0.01 -1.37 0.38 0.00 -2.00 0.00 0.00 174.74 171.76 2k1g s ALA 132 N -2.30 3.45 0.15 -1.38 0.00 -1.26 -0.38 121.76 120.04 2k1g s ALA 132 Ca 0.17 -1.56 -0.22 0.00 0.00 0.00 0.00 51.96 50.35 2k1g s ALA 132 Cb -0.04 -2.98 -0.08 0.00 0.00 0.00 0.00 23.12 20.02 2k1g s ALA 132 CO 0.09 -1.50 0.70 -1.12 0.00 0.00 0.00 175.76 173.93 2k1g s SER 133 N 1.76 7.23 0.18 0.00 0.01 0.60 -4.43 113.70 119.04 2k1g s SER 133 Ca 0.10 1.48 -0.21 0.00 1.31 0.00 0.00 55.95 58.63 2k1g s SER 133 Cb -0.18 -2.44 0.10 0.00 0.21 0.00 0.00 66.02 63.72 2k1g s SER 133 CO 0.12 0.20 1.60 0.71 0.41 0.00 0.00 173.24 176.28 2k1g h THR 134 N 3.28 0.23 0.00 1.44 1.35 -1.94 -1.63 112.91 115.65 2k1g h THR 134 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2k1g h THR 134 Cb 1.21 0.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 2k1g h THR 134 CO 0.65 0.00 0.00 -1.54 -0.25 0.00 0.00 175.52 174.38 2k1g n SER 135 N -5.42 0.00 0.24 5.36 3.41 -1.26 -4.05 113.62 111.90 2k1g n SER 135 Ca 0.03 0.21 0.14 0.00 -0.26 0.00 0.00 58.87 59.00 2k1g n SER 135 Cb 0.34 -0.44 0.82 0.00 -0.26 0.00 0.00 64.21 64.67 2k1g n SER 135 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2k1g h SER 136 N 0.00 0.00 -0.08 4.04 0.02 -1.98 -3.43 113.55 112.13 2k1g h SER 136 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k1g h SER 136 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k1g h SER 136 CO 0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2k1g n GLY 137 N -1.41 -1.73 3.60 -3.77 0.00 -0.61 -4.83 105.19 96.43 2k1g n GLY 137 Ca -0.01 -2.03 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 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 3.40 0.35 1.61 1.01 -0.15 -0.29 120.40 126.32 2k1g s VAL 138 Ca 0.00 0.40 0.07 0.00 0.00 0.00 0.00 61.98 62.45 2k1g s VAL 138 Cb 0.00 -3.57 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 2k1g s VAL 138 CO 0.00 -0.38 0.26 0.27 0.00 0.00 0.00 175.10 175.24 2k1g s ILE 139 N 7.30 0.09 -0.33 2.22 -4.36 0.49 -3.98 121.20 122.63 2k1g s ILE 139 Ca 0.82 -2.00 -0.06 0.00 -0.26 0.00 0.00 60.65 59.15 2k1g s ILE 139 Cb -0.23 -2.46 0.04 0.00 1.25 0.00 0.00 42.46 41.05 2k1g s ILE 139 CO 0.33 0.00 0.09 -0.63 0.24 0.00 0.00 174.94 174.96 2k1g s ILE 140 N -3.40 3.68 0.47 8.37 1.01 -1.26 -1.01 121.20 129.06 2k1g s ILE 140 Ca 0.38 -1.13 0.08 0.00 0.00 0.00 0.00 60.65 59.98 2k1g s ILE 140 Cb 0.02 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.45 2k1g s ILE 140 CO 0.26 -0.14 0.58 -0.44 0.00 0.00 0.00 174.94 175.20 2k1g s SER 141 N 1.39 5.34 -0.01 3.58 0.01 0.19 -4.85 113.70 119.34 2k1g s SER 141 Ca -0.02 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.63 2k1g s SER 141 Cb -0.19 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.71 2k1g s SER 141 CO 0.02 -0.92 -0.11 -0.55 0.41 0.00 0.00 173.24 172.09 2k1g s SER 142 N -4.39 1.34 0.00 2.44 0.15 -1.26 -1.07 113.70 110.91 2k1g s SER 142 Ca 0.54 -0.21 0.14 0.00 0.70 0.00 0.00 55.95 57.13 2k1g s SER 142 Cb -0.07 -0.20 0.66 0.00 -1.71 0.00 0.00 66.02 64.70 2k1g s SER 142 CO 0.33 0.13 1.43 0.23 1.20 0.00 0.00 173.24 176.56 2k1g n MET 143 N 2.91 0.09 0.22 5.44 2.81 0.64 -1.66 117.12 127.58 2k1g n MET 143 Ca -0.15 0.21 0.14 0.00 -1.81 0.00 0.00 57.70 56.09 2k1g n MET 143 Cb 0.56 -1.50 0.34 0.00 -0.71 0.00 0.00 33.22 31.91 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 -2.94 7.83 2.35 -1.95 -3.25 115.58 117.62 2k1g h ASN 144 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 2k1g h ASN 144 Cb 0.20 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2k1g h ASN 144 CO 0.00 0.00 0.81 -1.61 -1.65 0.00 0.00 177.43 174.98 2k1g s GLU 145 N -3.33 4.29 0.35 0.81 2.02 -0.66 -4.88 118.70 117.31 2k1g s GLU 145 Ca 0.06 1.87 0.13 0.00 0.02 0.00 0.00 54.97 57.05 2k1g s GLU 145 Cb 0.07 -3.61 0.98 0.00 0.10 0.00 0.00 34.13 31.67 2k1g s GLU 145 CO 0.62 -0.56 1.75 -1.00 0.02 0.00 0.00 175.26 176.08 2k1g h PRO 146 N 7.84 0.49 -0.33 0.39 0.13 -1.88 0.12 132.00 138.76 2k1g h PRO 146 Ca -0.36 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 64.72 2k1g h PRO 146 Cb 1.17 -0.11 -0.01 0.00 0.13 0.00 0.00 31.00 32.17 2k1g h PRO 146 CO 0.90 0.33 0.13 -0.92 -0.23 0.00 0.00 178.00 178.21 2k1g h TYR 147 N 0.51 0.50 0.00 1.56 3.20 -1.94 -2.74 116.97 118.06 2k1g h TYR 147 Ca 0.63 -0.04 -0.18 0.00 3.14 0.00 0.00 58.73 62.28 2k1g h TYR 147 Cb 1.35 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 39.44 2k1g h TYR 147 CO -0.00 0.47 -0.90 -1.49 -1.64 0.00 0.00 178.16 174.59 2k1g h TRP 148 N 0.39 0.00 -0.73 -3.82 4.06 -1.36 -2.51 115.95 111.97 2k1g h TRP 148 Ca 0.11 0.00 -0.02 0.00 2.06 0.00 0.00 58.89 61.04 2k1g h TRP 148 Cb 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 29.16 28.31 2k1g h TRP 148 CO -0.01 0.85 0.38 -0.22 -3.56 0.00 0.00 178.44 175.88 2k1g h LYS 149 N 0.00 1.03 0.00 0.49 3.64 -0.77 0.15 116.57 121.10 2k1g h LYS 149 Ca -0.03 -0.13 -0.03 0.00 -1.27 0.00 0.00 60.65 59.19 2k1g h LYS 149 Cb 1.67 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.29 2k1g h LYS 149 CO 0.11 0.78 -0.50 1.57 -2.27 0.00 0.00 179.45 179.13 2k1g h LYS 150 N 1.01 0.00 -0.22 1.90 2.10 -1.57 -3.32 116.57 116.47 2k1g h LYS 150 Ca 0.25 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.71 2k1g h LYS 150 Cb 0.07 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.40 2k1g h LYS 150 CO -0.04 0.11 -0.64 0.00 -2.00 0.00 0.00 179.45 176.88 2k1g h ARG 151 N 0.00 0.78 -5.71 0.07 -0.00 -0.95 -3.44 114.38 105.13 2k1g h ARG 151 Ca -0.02 -0.55 -0.54 0.00 -0.50 0.00 0.00 59.98 58.38 2k1g h ARG 151 Cb 1.12 0.09 -0.01 0.00 0.00 0.00 0.00 29.97 31.17 2k1g h ARG 151 CO 0.02 1.17 1.57 0.98 0.00 0.00 0.00 179.97 183.71 2k1g n TYR 152 N -3.96 1.50 -0.09 3.04 9.36 0.46 -0.49 117.16 126.97 2k1g n TYR 152 Ca -0.05 0.12 -0.17 0.00 3.32 0.00 0.00 57.90 61.11 2k1g n TYR 152 Cb 0.67 -2.61 -0.10 0.00 -0.63 0.00 0.00 39.34 36.67 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 16.28 0.00 -5.35 2.98 -1.24 -1.42 -3.48 115.58 123.34 2k1g h ASN 153 Ca -0.27 -0.47 0.18 0.00 0.71 0.00 0.00 56.30 56.45 2k1g h ASN 153 Cb 1.28 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 40.25 2k1g h ASN 153 CO 1.11 1.27 0.51 -1.83 -1.29 0.00 0.00 177.43 177.19 2k1g s GLU 154 N -2.29 1.21 0.19 6.67 -1.05 -1.23 -5.03 118.70 117.16 2k1g s GLU 154 Ca -0.24 -0.69 0.11 0.00 -0.15 0.00 0.00 54.97 54.00 2k1g s GLU 154 Cb 0.04 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 34.08 2k1g s GLU 154 CO 0.52 -0.55 -0.22 0.00 0.95 0.00 0.00 175.26 175.95 2k1g s ALA 155 N -3.07 2.43 -0.15 -0.84 0.00 -1.23 -0.43 121.76 118.46 2k1g s ALA 155 Ca 0.14 -1.62 -0.05 0.00 0.00 0.00 0.00 51.96 50.43 2k1g s ALA 155 Cb -0.01 -0.29 0.07 0.00 0.00 0.00 0.00 23.12 22.89 2k1g s ALA 155 CO 0.03 0.38 0.29 1.03 0.00 0.00 0.00 175.76 177.49 2k1g s ARG 156 N -2.74 0.19 -0.47 0.00 0.52 0.50 -0.28 118.95 116.66 2k1g s ARG 156 Ca 0.20 0.77 -0.24 0.00 -0.52 0.00 0.00 55.73 55.94 2k1g s ARG 156 Cb -0.07 -0.03 0.03 0.00 0.52 0.00 0.00 34.95 35.39 2k1g s ARG 156 CO 0.09 -0.31 0.87 -0.98 0.02 0.00 0.00 175.30 175.00 2k1g s ARG 157 N 2.46 3.45 0.13 3.54 3.03 -0.56 -1.04 118.95 129.95 2k1g s ARG 157 Ca 0.01 -0.02 0.25 0.00 2.03 0.00 0.00 55.73 58.01 2k1g s ARG 157 Cb -0.12 -3.95 0.59 0.00 -1.03 0.00 0.00 34.95 30.43 2k1g s ARG 157 CO -0.10 -1.23 1.53 1.33 -1.13 0.00 0.00 175.30 175.71 2k1g n VAL 158 N 6.27 0.37 -3.00 4.99 0.24 -1.26 -3.37 118.33 122.57 2k1g n VAL 158 Ca 0.04 -0.23 -0.40 0.00 -2.04 0.00 0.00 64.34 61.71 2k1g n VAL 158 Cb 0.48 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.53 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 -4.11 4.34 -0.39 1.34 1.43 -1.26 -4.86 118.68 115.18 2k1g s LEU 159 Ca 0.09 1.27 -0.29 0.00 -1.03 0.00 0.00 54.13 54.17 2k1g s LEU 159 Cb 0.14 -3.15 0.01 0.00 0.03 0.00 0.00 46.19 43.22 2k1g s LEU 159 CO 0.66 -0.11 1.25 -0.55 0.23 0.00 0.00 176.35 177.83 2k1g s SER 160 N 0.71 6.60 0.41 2.29 0.15 -1.26 -4.91 113.70 117.69 2k1g s SER 160 Ca 0.39 0.84 0.16 0.00 0.70 0.00 0.00 55.95 58.04 2k1g s SER 160 Cb -0.18 -2.54 0.87 0.00 -1.71 0.00 0.00 66.02 62.45 2k1g s SER 160 CO 0.20 -1.21 1.88 -0.09 1.20 0.00 0.00 173.24 175.22 2k1g h ARG 161 N 9.50 0.00 -6.21 5.44 1.12 -1.97 -3.43 114.38 118.83 2k1g h ARG 161 Ca -0.25 0.00 -0.57 0.00 -1.11 0.00 0.00 59.98 58.05 2k1g h ARG 161 Cb 1.08 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 31.00 2k1g h ARG 161 CO 1.08 0.30 -0.02 -1.12 -3.11 0.00 0.00 179.97 177.10 2k1g s SER 162 N -6.79 7.06 0.08 -3.80 0.01 -1.26 -5.09 113.70 103.91 2k1g s SER 162 Ca -0.03 1.26 0.03 0.00 1.31 0.00 0.00 55.95 58.52 2k1g s SER 162 Cb 0.14 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.97 2k1g s SER 162 CO 0.70 0.24 -0.09 -1.48 0.41 0.00 0.00 173.24 173.01 2k1g s LEU 163 N -0.91 2.39 0.00 2.44 2.34 -1.26 -5.23 118.68 118.44 2k1g s LEU 163 Ca 0.30 -0.79 0.17 0.00 0.06 0.00 0.00 54.13 53.87 2k1g s LEU 163 Cb -0.19 -0.23 0.14 0.00 -0.56 0.00 0.00 46.19 45.35 2k1g s LEU 163 CO 0.19 -0.29 1.04 -0.62 -1.06 0.00 0.00 176.35 175.61