#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 4.99 -0.69 7.83 -0.87 -1.26 -4.91 114.94 120.03 2k1g s ASN 37 Ca 0.00 0.85 -0.27 0.00 -1.57 0.00 0.00 52.86 51.88 2k1g s ASN 37 Cb 0.00 -2.52 0.00 0.00 -0.02 0.00 0.00 41.25 38.72 2k1g s ASN 37 CO 0.00 -2.50 1.59 -0.69 -2.57 0.00 0.00 177.10 172.93 2k1g s VAL 38 N 10.13 3.54 0.10 1.60 1.01 -1.26 -4.99 120.40 130.53 2k1g s VAL 38 Ca 0.83 0.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.78 2k1g s VAL 38 Cb -0.17 -4.42 -0.06 0.00 0.00 0.00 0.00 36.38 31.74 2k1g s VAL 38 CO 0.25 -1.37 0.92 -1.81 0.00 0.00 0.00 175.10 173.09 2k1g s ASP 39 N 6.02 7.45 0.12 3.32 1.01 -1.26 -4.97 116.67 128.36 2k1g s ASP 39 Ca 0.52 1.73 -0.23 0.00 0.71 0.00 0.00 52.55 55.28 2k1g s ASP 39 Cb -0.10 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.22 2k1g s ASP 39 CO 0.17 -0.05 1.67 0.58 0.21 0.00 0.00 175.17 177.75 2k1g h VAL 40 N 4.05 0.63 -0.81 -1.27 2.07 -1.94 -2.30 116.25 116.68 2k1g h VAL 40 Ca -0.43 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.15 2k1g h VAL 40 Cb 1.21 0.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.55 2k1g h VAL 40 CO 0.72 0.00 0.50 0.50 0.02 0.00 0.00 177.57 179.30 2k1g h LYS 41 N -0.20 0.89 -0.50 1.57 3.64 -1.90 -1.72 116.57 118.33 2k1g h LYS 41 Ca 0.07 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.43 2k1g h LYS 41 Cb 0.30 -0.20 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 2k1g h LYS 41 CO -0.19 0.59 0.29 1.03 -2.27 0.00 0.00 179.45 178.89 2k1g h SER 42 N 0.91 0.46 -0.36 4.20 0.87 -1.85 0.11 113.55 117.89 2k1g h SER 42 Ca 0.35 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.87 2k1g h SER 42 Cb 0.16 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 2k1g h SER 42 CO -0.17 0.32 0.01 0.03 -0.53 0.00 0.00 176.83 176.49 2k1g h ARG 43 N 0.57 0.63 -0.89 2.24 2.47 -1.08 -1.60 114.38 116.73 2k1g h ARG 43 Ca 0.21 -0.20 0.05 0.00 -1.26 0.00 0.00 59.98 58.78 2k1g h ARG 43 Cb 0.05 -0.06 -0.06 0.00 -1.65 0.00 0.00 29.97 28.25 2k1g h ARG 43 CO -0.11 0.73 0.56 0.82 0.56 0.00 0.00 179.97 182.54 2k1g h ILE 44 N 0.45 1.10 -0.08 2.04 2.04 -0.97 -1.68 117.51 120.40 2k1g h ILE 44 Ca 0.10 -0.36 -0.08 0.00 1.00 0.00 0.00 64.86 65.52 2k1g h ILE 44 Cb 0.44 -0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 2k1g h ILE 44 CO 0.02 0.19 -0.31 0.24 0.00 0.00 0.00 178.15 178.29 2k1g h MET 45 N 1.06 0.16 -0.79 2.37 2.86 -0.62 -0.99 114.93 118.98 2k1g h MET 45 Ca 0.37 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2k1g h MET 45 Cb 0.08 -0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2k1g h MET 45 CO -0.14 0.46 0.48 0.22 1.06 0.00 0.00 176.91 178.99 2k1g h ASP 46 N 0.14 0.95 0.31 1.22 3.58 -0.34 0.70 116.42 122.98 2k1g h ASP 46 Ca 0.02 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.39 2k1g h ASP 46 Cb 0.63 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.45 2k1g h ASP 46 CO 0.05 0.73 -0.15 1.56 -2.88 0.00 0.00 179.24 178.55 2k1g h GLN 47 N 1.08 -0.40 -0.71 0.28 1.08 -1.24 -3.25 115.11 111.96 2k1g h GLN 47 Ca 0.29 0.03 0.16 0.00 -1.45 0.00 0.00 58.65 57.67 2k1g h GLN 47 Cb -0.05 0.09 -0.12 0.00 -0.05 0.00 0.00 27.48 27.35 2k1g h GLN 47 CO -0.05 -0.06 0.07 -0.92 -0.95 0.00 0.00 178.83 176.91 2k1g h TYR 48 N -0.83 0.08 -0.57 2.96 3.20 -1.02 0.26 116.97 121.05 2k1g h TYR 48 Ca -0.04 0.05 0.12 0.00 3.14 0.00 0.00 58.73 62.00 2k1g h TYR 48 Cb 0.52 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.83 2k1g h TYR 48 CO 0.03 -0.16 0.39 0.00 -1.64 0.00 0.00 178.16 176.78 2k1g h ALA 49 N 1.63 2.19 0.00 1.82 0.00 -0.96 0.18 119.26 124.13 2k1g h ALA 49 Ca 0.39 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.07 2k1g h ALA 49 Cb 0.67 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2k1g h ALA 49 CO -0.57 -0.34 -1.06 0.22 0.00 0.00 0.00 179.25 177.50 2k1g h ASP 50 N 0.26 0.00 -0.21 0.00 3.58 -0.57 -3.31 116.42 116.16 2k1g h ASP 50 Ca 0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.72 2k1g h ASP 50 Cb 0.72 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2k1g h ASP 50 CO -0.06 1.00 0.00 0.79 -2.88 0.00 0.00 179.24 178.09 2k1g n TRP 51 N -3.32 0.26 -1.75 0.28 7.02 -0.15 -4.92 117.44 114.86 2k1g n TRP 51 Ca -0.01 -0.13 -0.42 0.00 -1.02 0.00 0.00 57.50 55.91 2k1g n TRP 51 Cb 0.95 0.00 -0.03 0.00 -2.42 0.00 0.00 31.31 29.81 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 -1.74 4.15 0.00 -0.99 1.02 0.46 -1.99 119.74 120.65 2k1g s LYS 52 Ca 0.35 2.54 0.00 0.00 0.02 0.00 0.00 55.97 58.87 2k1g s LYS 52 Cb 0.21 -3.83 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 2k1g s LYS 52 CO 0.30 -0.87 0.00 0.41 -0.92 0.00 0.00 175.35 174.27 2k1g n GLY 53 N 4.31 0.21 3.68 -3.33 0.00 -1.26 -5.06 105.19 103.73 2k1g n GLY 53 Ca 0.18 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 4.44 0.69 1.61 1.01 -0.84 -4.99 120.40 120.32 2k1g s VAL 54 Ca 0.00 1.74 -0.11 0.00 0.00 0.00 0.00 61.98 63.61 2k1g s VAL 54 Cb 0.00 -4.12 0.01 0.00 0.00 0.00 0.00 36.38 32.27 2k1g s VAL 54 CO 0.00 -0.05 1.06 0.00 0.00 0.00 0.00 175.10 176.11 2k1g s ARG 55 N 2.57 2.93 0.01 2.72 1.70 -1.26 -2.38 118.95 125.23 2k1g s ARG 55 Ca 0.52 0.97 -0.30 0.00 -0.47 0.00 0.00 55.73 56.46 2k1g s ARG 55 Cb -0.21 -1.99 -0.03 0.00 -0.57 0.00 0.00 34.95 32.15 2k1g s ARG 55 CO 0.17 -1.11 1.00 -0.47 -1.08 0.00 0.00 175.30 173.81 2k1g s TYR 56 N -3.02 3.65 -0.12 5.89 5.04 -1.26 -1.62 117.35 125.90 2k1g s TYR 56 Ca 0.58 1.67 -0.03 0.00 -2.44 0.00 0.00 57.07 56.86 2k1g s TYR 56 Cb -0.14 -3.14 0.04 0.00 0.35 0.00 0.00 41.96 39.07 2k1g s TYR 56 CO 0.54 -0.11 0.04 0.50 -1.34 0.00 0.00 175.55 175.18 2k1g s ARG 57 N 0.99 0.40 -0.05 4.97 3.52 -0.66 -4.72 118.95 123.39 2k1g s ARG 57 Ca 0.52 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.79 2k1g s ARG 57 Cb -0.22 -1.40 -0.04 0.00 -1.56 0.00 0.00 34.95 31.74 2k1g s ARG 57 CO 0.28 -0.48 1.33 -0.51 -0.81 0.00 0.00 175.30 175.11 2k1g s LEU 58 N 2.01 4.28 0.00 -0.88 1.43 -1.26 -2.33 118.68 121.92 2k1g s LEU 58 Ca 0.03 1.94 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 2k1g s LEU 58 Cb -0.14 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.52 2k1g s LEU 58 CO -0.06 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.43 2k1g n GLY 59 N 3.58 0.68 3.10 -3.19 0.00 -1.26 -5.04 105.19 103.06 2k1g n GLY 59 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 2k1g n GLY 59 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k1g s GLY 60 N -1.94 0.65 -0.32 -0.02 0.00 -1.21 -5.10 107.32 99.38 2k1g s GLY 60 Ca 0.00 -0.66 0.02 0.00 0.00 0.00 0.00 44.72 44.07 2k1g s GLY 60 CO 0.00 -0.62 0.06 -0.45 0.00 0.00 0.00 173.10 172.09 2k1g s SER 61 N -0.80 4.41 0.04 1.64 0.15 -1.26 -3.39 113.70 114.49 2k1g s SER 61 Ca 0.02 -1.88 -0.28 0.00 0.70 0.00 0.00 55.95 54.50 2k1g s SER 61 Cb -0.06 -1.28 0.10 0.00 -1.71 0.00 0.00 66.02 63.06 2k1g s SER 61 CO 0.00 -0.39 1.10 0.28 1.20 0.00 0.00 173.24 175.44 2k1g s THR 62 N 1.23 0.00 -0.72 6.45 -1.32 -1.09 -5.02 115.64 115.17 2k1g s THR 62 Ca 0.10 -0.37 0.23 0.00 -1.21 0.00 0.00 61.69 60.44 2k1g s THR 62 Cb -0.18 -1.79 0.23 0.00 -1.51 0.00 0.00 72.50 69.24 2k1g s THR 62 CO -0.15 0.00 1.71 1.17 -2.21 0.00 0.00 174.62 175.14 2k1g n LYS 63 N -0.42 0.15 0.14 7.08 4.81 -1.26 -1.55 118.16 127.11 2k1g n LYS 63 Ca -0.07 0.27 0.13 0.00 -0.87 0.00 0.00 58.31 57.78 2k1g n LYS 63 Cb 0.61 -1.73 0.43 0.00 0.02 0.00 0.00 35.03 34.36 2k1g n LYS 63 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 2k1g h LYS 64 N 0.00 0.00 0.00 1.64 6.56 -1.95 -3.44 116.57 119.38 2k1g h LYS 64 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2k1g h LYS 64 Cb 0.46 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.12 2k1g h LYS 64 CO 0.00 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 177.80 2k1g n GLY 65 N 0.80 3.62 3.29 3.86 0.00 -0.59 -4.48 105.19 111.69 2k1g n GLY 65 Ca 0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.59 0.07 0.70 -0.61 2.07 -0.64 -2.66 121.20 119.54 2k1g s ILE 66 Ca 0.00 -0.54 -0.01 0.00 -1.41 0.00 0.00 60.65 58.70 2k1g s ILE 66 Cb 0.00 -0.91 0.11 0.00 0.13 0.00 0.00 42.46 41.79 2k1g s ILE 66 CO 0.00 -0.30 0.97 1.51 -1.91 0.00 0.00 174.94 175.21 2k1g s ASP 67 N -1.93 4.48 0.09 4.50 -4.77 -0.99 -1.65 116.67 116.41 2k1g s ASP 67 Ca -0.06 -0.27 -0.25 0.00 -3.30 0.00 0.00 52.55 48.66 2k1g s ASP 67 Cb -0.01 -0.18 -0.14 0.00 -1.09 0.00 0.00 42.92 41.49 2k1g s ASP 67 CO -0.02 -1.76 1.70 0.00 0.70 0.00 0.00 175.17 175.79 2k1g h SER 69 N -0.26 1.10 -0.62 0.00 0.87 -1.90 -2.39 113.55 110.34 2k1g h SER 69 Ca -0.01 -0.18 -0.05 0.00 -1.23 0.00 0.00 61.79 60.32 2k1g h SER 69 Cb 0.23 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.88 2k1g h SER 69 CO -0.00 0.98 0.18 1.23 -0.53 0.00 0.00 176.83 178.69 2k1g h GLY 70 N 1.15 1.05 0.93 5.77 0.00 -1.80 -2.53 103.07 107.65 2k1g h GLY 70 Ca 0.26 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 2k1g h GLY 70 CO -0.02 0.60 -0.05 -2.75 0.00 0.00 0.00 176.54 174.32 2k1g h PHE 71 N 0.90 -0.12 -0.41 5.60 3.57 -0.74 -2.59 116.94 123.16 2k1g h PHE 71 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2k1g h PHE 71 Cb 0.32 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2k1g h PHE 71 CO 0.02 -0.01 0.20 -0.24 -2.23 0.00 0.00 178.31 176.06 2k1g h VAL 72 N -0.20 1.17 -0.93 1.41 3.04 -1.45 -2.13 116.25 117.16 2k1g h VAL 72 Ca -0.01 -0.47 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2k1g h VAL 72 Cb 0.17 0.73 -0.04 0.00 -2.01 0.00 0.00 31.29 30.13 2k1g h VAL 72 CO 0.02 0.18 0.54 0.06 -1.01 0.00 0.00 177.57 177.36 2k1g h GLN 73 N 0.52 1.28 -0.25 4.17 3.07 -1.44 -2.73 115.11 119.73 2k1g h GLN 73 Ca 0.14 -0.13 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 2k1g h GLN 73 Cb 0.10 -0.26 -0.01 0.00 0.08 0.00 0.00 27.48 27.40 2k1g h GLN 73 CO -0.02 0.91 -0.09 0.00 0.09 0.00 0.00 178.83 179.73 2k1g h ARG 74 N 1.29 0.51 -0.60 0.06 3.08 -1.30 -2.45 114.38 114.98 2k1g h ARG 74 Ca 0.33 -0.21 0.11 0.00 0.07 0.00 0.00 59.98 60.28 2k1g h ARG 74 Cb -0.01 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 29.93 2k1g h ARG 74 CO -0.06 0.75 0.13 1.15 -1.07 0.00 0.00 179.97 180.87 2k1g h THR 75 N 0.24 0.65 -0.11 2.04 2.02 -1.11 -0.72 112.91 115.92 2k1g h THR 75 Ca 0.06 -0.09 -0.18 0.00 0.77 0.00 0.00 66.41 66.97 2k1g h THR 75 Cb 0.57 0.36 0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2k1g h THR 75 CO 0.03 0.05 -0.64 -0.26 0.37 0.00 0.00 175.52 175.07 2k1g h PHE 76 N 0.27 0.85 -0.26 3.16 -1.00 -1.50 -2.14 116.94 116.32 2k1g h PHE 76 Ca 0.31 -0.39 -0.08 0.00 2.81 0.00 0.00 57.97 60.62 2k1g h PHE 76 Cb 0.46 -0.13 -0.01 0.00 3.61 0.00 0.00 35.95 39.88 2k1g h PHE 76 CO -0.24 1.19 -0.20 0.07 -1.61 0.00 0.00 178.31 177.52 2k1g h ARG 77 N 0.27 0.46 0.23 1.51 0.11 -0.73 0.24 114.38 116.46 2k1g h ARG 77 Ca -0.05 -0.15 -0.33 0.00 0.10 0.00 0.00 59.98 59.54 2k1g h ARG 77 Cb 1.29 -0.04 0.03 0.00 1.11 0.00 0.00 29.97 32.36 2k1g h ARG 77 CO 0.13 0.64 -1.51 0.93 0.10 0.00 0.00 179.97 180.26 2k1g h GLU 78 N 0.42 0.48 0.00 0.08 4.39 -1.19 -2.98 114.58 115.78 2k1g h GLU 78 Ca 0.07 -0.82 0.00 0.00 0.34 0.00 0.00 59.36 58.95 2k1g h GLU 78 Cb 0.58 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 29.54 2k1g h GLU 78 CO 0.04 1.39 -0.24 1.96 -1.16 0.00 0.00 179.01 181.00 2k1g h GLN 79 N 0.13 0.00 -0.00 2.33 1.08 -1.38 -3.41 115.11 113.86 2k1g h GLN 79 Ca -0.26 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 2k1g h GLN 79 Cb 2.14 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 29.57 2k1g h GLN 79 CO 0.25 0.00 -0.39 1.19 -0.95 0.00 0.00 178.83 178.93 2k1g n PHE 80 N -3.87 0.00 -1.00 2.96 3.72 0.08 -4.93 117.46 114.43 2k1g n PHE 80 Ca -0.03 0.00 -0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2k1g n PHE 80 Cb 0.12 -0.17 -0.00 0.00 -0.94 0.00 0.00 39.48 38.49 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 1.42 0.38 3.59 1.37 0.00 0.61 -4.95 105.19 107.61 2k1g n GLY 81 Ca 0.09 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.02 3.94 -0.90 0.99 2.96 -0.51 -4.76 118.68 120.38 2k1g s LEU 82 Ca 0.00 0.45 -0.21 0.00 -0.22 0.00 0.00 54.13 54.15 2k1g s LEU 82 Cb 0.00 -3.30 0.09 0.00 0.50 0.00 0.00 46.19 43.48 2k1g s LEU 82 CO 0.00 -0.98 1.20 -1.61 -1.32 0.00 0.00 176.35 173.64 2k1g s GLU 83 N 3.73 3.49 0.33 1.98 2.02 -1.26 -1.42 118.70 127.57 2k1g s GLU 83 Ca 0.40 -1.33 -0.23 0.00 0.02 0.00 0.00 54.97 53.83 2k1g s GLU 83 Cb -0.11 -4.88 -0.10 0.00 0.10 0.00 0.00 34.13 29.15 2k1g s GLU 83 CO 0.23 -1.93 0.90 -0.51 0.02 0.00 0.00 175.26 173.98 2k1g s LEU 84 N 3.76 4.24 0.00 1.80 1.43 -1.26 -5.05 118.68 123.59 2k1g s LEU 84 Ca 0.35 1.72 -0.07 0.00 -1.03 0.00 0.00 54.13 55.09 2k1g s LEU 84 Cb -0.06 -4.07 0.10 0.00 0.03 0.00 0.00 46.19 42.19 2k1g s LEU 84 CO -0.05 -0.12 0.34 -0.81 0.23 0.00 0.00 176.35 175.94 2k1g n PRO 85 N 0.27 -1.99 -0.06 1.29 -0.04 -1.26 -4.87 135.00 128.34 2k1g n PRO 85 Ca 0.03 -0.54 -0.14 0.00 -0.04 0.00 0.00 63.50 62.80 2k1g n PRO 85 Cb 0.51 -0.55 -0.14 0.00 -0.04 0.00 0.00 33.50 33.28 2k1g n PRO 85 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2k1g n ARG 86 N -2.74 0.68 -3.61 0.54 0.00 -1.26 -4.83 116.66 105.45 2k1g n ARG 86 Ca 0.05 0.17 -0.37 0.00 -0.00 0.00 0.00 57.85 57.70 2k1g n ARG 86 Cb 0.19 -1.64 -0.06 0.00 -0.00 0.00 0.00 32.46 30.95 2k1g n ARG 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2k1g s SER 87 N -6.23 6.57 0.28 2.89 0.01 -1.26 -4.68 113.70 111.28 2k1g s SER 87 Ca -0.17 0.68 -0.00 0.00 1.31 0.00 0.00 55.95 57.77 2k1g s SER 87 Cb 0.07 -2.18 0.49 0.00 0.21 0.00 0.00 66.02 64.61 2k1g s SER 87 CO 0.77 0.27 1.88 0.74 0.41 0.00 0.00 173.24 177.30 2k1g h THR 88 N 4.12 1.03 -0.55 1.44 2.02 -1.94 -0.98 112.91 118.06 2k1g h THR 88 Ca -0.49 -0.37 0.07 0.00 0.77 0.00 0.00 66.41 66.39 2k1g h THR 88 Cb 1.20 -0.14 -0.06 0.00 -1.74 0.00 0.00 68.15 67.41 2k1g h THR 88 CO 0.66 0.20 0.23 1.88 0.37 0.00 0.00 175.52 178.85 2k1g h TYR 89 N 1.08 0.41 -0.86 3.16 -1.99 -1.97 0.22 116.97 117.02 2k1g h TYR 89 Ca 0.44 0.03 0.02 0.00 2.00 0.00 0.00 58.73 61.21 2k1g h TYR 89 Cb 0.27 -0.10 -0.04 0.00 2.00 0.00 0.00 36.73 38.85 2k1g h TYR 89 CO -0.00 0.15 0.57 0.93 -0.00 0.00 0.00 178.16 179.81 2k1g h GLU 90 N 0.44 1.11 -0.29 4.88 5.08 -1.63 -2.00 114.58 122.17 2k1g h GLU 90 Ca 0.26 -0.07 -0.11 0.00 -1.00 0.00 0.00 59.36 58.45 2k1g h GLU 90 Cb 0.26 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k1g h GLU 90 CO -0.24 0.73 -0.27 1.96 -1.00 0.00 0.00 179.01 180.20 2k1g h GLN 91 N 1.14 0.57 -0.66 2.33 4.20 -0.28 -2.63 115.11 119.78 2k1g h GLN 91 Ca 0.32 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.78 2k1g h GLN 91 Cb -0.09 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.64 2k1g h GLN 91 CO -0.08 0.79 0.31 1.96 -0.67 0.00 0.00 178.83 181.14 2k1g h GLN 92 N 0.50 0.94 -0.43 1.46 4.20 -0.00 -2.62 115.11 119.17 2k1g h GLN 92 Ca 0.07 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2k1g h GLN 92 Cb 0.73 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2k1g h GLN 92 CO 0.06 0.74 0.00 0.39 -0.67 0.00 0.00 178.83 179.35 2k1g n GLU 93 N -4.33 1.82 -0.04 1.46 1.02 -0.81 -4.20 120.64 115.55 2k1g n GLU 93 Ca 0.06 -0.99 -0.02 0.00 -0.02 0.00 0.00 57.16 56.20 2k1g n GLU 93 Cb 0.14 -1.36 -0.01 0.00 -0.02 0.00 0.00 31.44 30.19 2k1g n GLU 93 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2k1g h MET 94 N 1.49 0.00 0.00 3.49 2.86 -1.27 -3.50 114.93 118.00 2k1g h MET 94 Ca 0.00 0.00 -0.27 0.00 -2.06 0.00 0.00 59.70 57.37 2k1g h MET 94 Cb 0.54 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 2k1g h MET 94 CO 0.05 0.00 -0.12 0.41 1.06 0.00 0.00 176.91 178.31 2k1g n GLY 95 N 1.75 2.85 3.89 8.32 0.00 -1.26 -5.01 105.19 115.73 2k1g n GLY 95 Ca -0.03 -2.23 -0.29 0.00 0.00 0.00 0.00 46.02 43.48 2k1g n GLY 95 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k1g s LYS 96 N -3.07 3.58 0.23 1.61 -0.14 -1.23 -4.78 119.74 115.95 2k1g s LYS 96 Ca 0.15 0.46 -0.09 0.00 -1.36 0.00 0.00 55.97 55.14 2k1g s LYS 96 Cb -0.01 -2.24 -0.07 0.00 -1.68 0.00 0.00 37.83 33.82 2k1g s LYS 96 CO 0.10 -0.36 0.54 -1.54 -0.76 0.00 0.00 175.35 173.33 2k1g s SER 97 N -4.08 6.59 0.20 2.83 1.04 -1.26 -1.31 113.70 117.70 2k1g s SER 97 Ca 0.51 0.87 -0.00 0.00 0.48 0.00 0.00 55.95 57.80 2k1g s SER 97 Cb -0.11 -2.21 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 2k1g s SER 97 CO 0.48 -0.08 0.11 0.68 0.98 0.00 0.00 173.24 175.41 2k1g s VAL 98 N -1.84 0.14 0.52 5.02 -7.23 -0.12 -4.91 120.40 111.99 2k1g s VAL 98 Ca 0.46 -1.99 0.01 0.00 -1.81 0.00 0.00 61.98 58.66 2k1g s VAL 98 Cb -0.11 -2.44 0.01 0.00 0.56 0.00 0.00 36.38 34.40 2k1g s VAL 98 CO 0.23 -0.09 0.11 -0.24 -0.31 0.00 0.00 175.10 174.80 2k1g n SER 99 N -0.28 3.24 -0.10 4.85 2.88 -1.26 -3.62 113.62 119.32 2k1g n SER 99 Ca 0.00 -3.15 -0.12 0.00 -1.33 0.00 0.00 58.87 54.27 2k1g n SER 99 Cb 0.66 0.25 -0.07 0.00 -0.75 0.00 0.00 64.21 64.29 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 -0.39 0.00 -1.46 2.47 -2.00 0.48 114.38 113.48 2k1g h ARG 100 Ca -0.40 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 2k1g h ARG 100 Cb 1.28 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.69 2k1g h ARG 100 CO 0.66 -0.26 0.00 0.43 0.56 0.00 0.00 179.97 181.36 2k1g n SER 101 N -5.41 0.00 0.00 7.04 7.64 -1.26 -2.25 113.62 119.39 2k1g n SER 101 Ca -0.03 -0.12 0.10 0.00 1.01 0.00 0.00 58.87 59.84 2k1g n SER 101 Cb 0.36 -0.24 -0.10 0.00 -1.01 0.00 0.00 64.21 63.22 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 -1.24 0.80 -4.63 6.43 3.02 0.10 -4.94 115.26 114.81 2k1g n ASN 102 Ca 0.11 -0.76 -0.43 0.00 -0.03 0.00 0.00 54.58 53.47 2k1g n ASN 102 Cb 0.15 1.09 -0.03 0.00 -0.61 0.00 0.00 39.78 40.38 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 -3.28 3.85 0.00 3.41 1.43 -0.80 -4.85 118.68 118.44 2k1g s LEU 103 Ca 0.06 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2k1g s LEU 103 Cb 0.16 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.85 2k1g s LEU 103 CO 0.86 -1.35 0.00 0.54 0.23 0.00 0.00 176.35 176.64 2k1g n ARG 104 N 7.82 3.43 -2.74 1.70 1.74 -1.26 -4.85 116.66 122.50 2k1g n ARG 104 Ca 0.20 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.85 2k1g n ARG 104 Cb 0.45 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.86 2k1g n ARG 104 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2k1g s THR 105 N 1.25 4.54 0.00 0.55 2.01 -1.26 -3.61 115.64 119.11 2k1g s THR 105 Ca 0.00 1.39 0.00 0.00 0.31 0.00 0.00 61.69 63.39 2k1g s THR 105 Cb 0.00 -4.38 0.00 0.00 0.01 0.00 0.00 72.50 68.13 2k1g s THR 105 CO 0.00 -0.54 0.00 0.61 -0.69 0.00 0.00 174.62 174.00 2k1g n GLY 106 N 4.23 2.17 3.72 4.40 0.00 0.18 -4.90 105.19 115.00 2k1g n GLY 106 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.96 6.67 -0.37 1.61 1.11 -1.24 -4.64 116.67 117.86 2k1g s ASP 107 Ca 0.00 2.54 -0.22 0.00 0.18 0.00 0.00 52.55 55.04 2k1g s ASP 107 Cb 0.00 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.40 2k1g s ASP 107 CO 0.00 -0.75 0.74 -0.76 1.18 0.00 0.00 175.17 175.58 2k1g s LEU 108 N 0.89 4.18 -0.21 1.23 1.43 0.30 -1.23 118.68 125.28 2k1g s LEU 108 Ca 0.67 0.26 -0.15 0.00 -1.03 0.00 0.00 54.13 53.88 2k1g s LEU 108 Cb -0.41 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2k1g s LEU 108 CO 0.33 -0.70 0.36 0.68 0.23 0.00 0.00 176.35 177.25 2k1g s VAL 109 N 2.98 5.22 -0.21 -1.59 -7.23 0.11 -0.32 120.40 119.35 2k1g s VAL 109 Ca 0.29 0.62 -0.13 0.00 -1.81 0.00 0.00 61.98 60.95 2k1g s VAL 109 Cb -0.14 -3.69 -0.05 0.00 0.56 0.00 0.00 36.38 33.07 2k1g s VAL 109 CO 0.16 0.26 0.25 -0.76 -0.31 0.00 0.00 175.10 174.70 2k1g s LEU 110 N 1.34 4.16 0.29 1.32 1.43 0.81 -0.93 118.68 127.09 2k1g s LEU 110 Ca 0.17 0.31 0.11 0.00 -1.03 0.00 0.00 54.13 53.69 2k1g s LEU 110 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.75 2k1g s LEU 110 CO 0.08 0.04 -0.11 -0.36 0.23 0.00 0.00 176.35 176.22 2k1g s PHE 111 N 0.98 2.45 -0.23 0.29 0.08 0.70 -0.42 117.98 121.83 2k1g s PHE 111 Ca 0.13 -0.32 -0.18 0.00 0.12 0.00 0.00 56.93 56.67 2k1g s PHE 111 Cb -0.14 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.15 2k1g s PHE 111 CO 0.05 0.65 0.52 1.03 -0.10 0.00 0.00 175.22 177.38 2k1g s ARG 112 N -3.59 4.13 0.32 0.44 0.52 -0.37 -0.82 118.95 119.59 2k1g s ARG 112 Ca 0.31 0.38 0.10 0.00 -0.52 0.00 0.00 55.73 56.01 2k1g s ARG 112 Cb -0.04 -3.60 -0.06 0.00 0.52 0.00 0.00 34.95 31.76 2k1g s ARG 112 CO 0.17 -0.25 -0.10 0.00 0.02 0.00 0.00 175.30 175.14 2k1g s ALA 113 N 1.97 2.95 -0.02 2.13 0.00 -0.86 -4.92 121.76 123.00 2k1g s ALA 113 Ca 0.23 -1.97 -0.00 0.00 0.00 0.00 0.00 51.96 50.21 2k1g s ALA 113 Cb -0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.75 2k1g s ALA 113 CO 0.09 0.15 0.04 0.78 0.00 0.00 0.00 175.76 176.82 2k1g h GLY 114 N 2.06 -0.01 0.88 0.00 0.00 -1.98 -2.56 103.07 101.45 2k1g h GLY 114 Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.92 2k1g h GLY 114 CO 0.66 -0.00 -0.12 0.23 0.00 0.00 0.00 176.54 177.30 2k1g h SER 115 N -0.21 -0.32 1.17 0.19 0.87 -2.00 -3.16 113.55 110.09 2k1g h SER 115 Ca -0.00 0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.50 2k1g h SER 115 Cb 0.01 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 2k1g h SER 115 CO 0.00 -0.19 -0.87 0.71 -0.53 0.00 0.00 176.83 175.95 2k1g h THR 116 N -0.29 0.41 0.00 2.23 1.35 -2.02 -3.48 112.91 111.12 2k1g h THR 116 Ca -0.00 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 64.17 2k1g h THR 116 Cb 0.26 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2k1g h THR 116 CO -0.02 0.24 0.00 0.61 -0.25 0.00 0.00 175.52 176.10 2k1g n GLY 117 N 1.26 1.51 3.32 5.82 0.00 -0.96 -4.89 105.19 111.24 2k1g n GLY 117 Ca -0.02 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.63 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 2.70 0.07 1.61 1.81 -1.26 -2.04 118.95 121.84 2k1g s ARG 118 Ca 0.00 -0.83 0.06 0.00 -1.72 0.00 0.00 55.73 53.24 2k1g s ARG 118 Cb 0.00 -2.28 -0.03 0.00 -0.45 0.00 0.00 34.95 32.19 2k1g s ARG 118 CO 0.00 0.39 -0.17 -1.58 -0.68 0.00 0.00 175.30 173.26 2k1g s HIS 119 N -0.15 1.42 -0.01 -0.53 5.65 0.00 -4.80 115.29 116.87 2k1g s HIS 119 Ca -0.03 -0.42 0.02 0.00 0.25 0.00 0.00 55.06 54.87 2k1g s HIS 119 Cb -0.14 -0.80 -0.00 0.00 -1.18 0.00 0.00 32.58 30.46 2k1g s HIS 119 CO 0.04 0.10 -0.05 0.54 -0.65 0.00 0.00 174.74 174.71 2k1g s VAL 120 N -1.13 0.43 0.03 0.89 0.11 -1.26 -0.22 120.40 119.26 2k1g s VAL 120 Ca 0.02 -0.21 0.05 0.00 -2.93 0.00 0.00 61.98 58.90 2k1g s VAL 120 Cb -0.09 -0.38 -0.02 0.00 -1.53 0.00 0.00 36.38 34.36 2k1g s VAL 120 CO 0.03 0.13 -0.15 -0.83 -3.33 0.00 0.00 175.10 170.94 2k1g s GLY 121 N -0.02 0.83 -0.50 6.54 0.00 -0.11 -4.64 107.32 109.42 2k1g s GLY 121 Ca 0.01 -0.84 -0.22 0.00 0.00 0.00 0.00 44.72 43.67 2k1g s GLY 121 CO -0.00 -0.79 0.76 -0.42 0.00 0.00 0.00 173.10 172.64 2k1g s ILE 122 N -0.77 4.67 -0.08 0.90 1.01 0.16 -0.71 121.20 126.37 2k1g s ILE 122 Ca 0.03 0.02 -0.29 0.00 0.00 0.00 0.00 60.65 60.41 2k1g s ILE 122 Cb -0.08 -4.36 -0.06 0.00 0.01 0.00 0.00 42.46 37.97 2k1g s ILE 122 CO 0.01 -0.85 1.83 -0.47 0.00 0.00 0.00 174.94 175.46 2k1g s TYR 123 N 3.21 1.66 -0.19 3.97 5.04 -0.36 -1.57 117.35 129.10 2k1g s TYR 123 Ca 0.24 0.09 0.12 0.00 -2.44 0.00 0.00 57.07 55.08 2k1g s TYR 123 Cb -0.15 -4.04 -0.20 0.00 0.35 0.00 0.00 41.96 37.92 2k1g s TYR 123 CO 0.17 -4.27 -0.01 0.44 -1.34 0.00 0.00 175.55 170.53 2k1g n ILE 124 N 6.01 1.27 -3.65 3.14 -5.35 -0.52 -0.64 119.36 119.62 2k1g n ILE 124 Ca 0.20 -0.69 0.00 0.00 -0.27 0.00 0.00 62.75 61.99 2k1g n ILE 124 Cb 0.43 -0.75 -0.06 0.00 -1.74 0.00 0.00 39.64 37.52 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 -5.52 0.53 0.00 3.28 0.00 -1.14 -4.64 107.32 99.83 2k1g s GLY 125 Ca -0.15 3.72 0.00 0.00 0.00 0.00 0.00 44.72 48.29 2k1g s GLY 125 CO 0.68 2.49 0.00 -2.01 0.00 0.00 0.00 173.10 174.26 2k1g n ASN 126 N 2.60 0.00 0.00 1.64 2.85 -1.26 -1.11 115.26 119.97 2k1g n ASN 126 Ca -0.15 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.32 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 1.10 0.00 -4.84 1.20 3.02 -1.26 -5.04 115.26 109.45 2k1g n ASN 127 Ca 0.00 -1.00 -0.33 0.00 -0.03 0.00 0.00 54.58 53.22 2k1g n ASN 127 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 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 0.00 3.23 -0.03 3.52 -0.21 -0.27 -0.91 119.66 124.99 2k1g s GLN 128 Ca 0.00 -0.43 -0.16 0.00 0.02 0.00 0.00 55.36 54.79 2k1g s GLN 128 Cb 0.00 -2.96 0.03 0.00 1.00 0.00 0.00 33.01 31.08 2k1g s GLN 128 CO 0.00 0.65 0.35 -0.59 -2.12 0.00 0.00 175.29 173.59 2k1g s PHE 129 N -1.28 -0.25 -0.13 0.91 -0.71 -0.13 -1.43 117.98 114.95 2k1g s PHE 129 Ca 0.26 0.43 -0.08 0.00 -1.04 0.00 0.00 56.93 56.50 2k1g s PHE 129 Cb -0.12 0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.78 2k1g s PHE 129 CO 0.17 -0.39 0.14 0.54 -1.34 0.00 0.00 175.22 174.34 2k1g s VAL 130 N -1.16 5.48 0.10 -2.49 0.11 -0.61 -1.49 120.40 120.35 2k1g s VAL 130 Ca -0.12 0.22 -0.26 0.00 -2.93 0.00 0.00 61.98 58.89 2k1g s VAL 130 Cb -0.04 -3.42 0.08 0.00 -1.53 0.00 0.00 36.38 31.47 2k1g s VAL 130 CO 0.04 0.59 0.77 -1.38 -3.33 0.00 0.00 175.10 171.79 2k1g s HIS 131 N -0.80 -0.39 -0.72 1.54 -3.43 0.02 -0.67 115.29 110.84 2k1g s HIS 131 Ca 0.14 0.19 -0.20 0.00 -0.80 0.00 0.00 55.06 54.39 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 -0.74 0.92 0.00 -2.00 0.00 0.00 174.74 172.95 2k1g s ALA 132 N -3.44 3.33 0.47 -1.38 0.00 -1.26 -0.46 121.76 119.02 2k1g s ALA 132 Ca 0.05 -2.30 -0.20 0.00 0.00 0.00 0.00 51.96 49.51 2k1g s ALA 132 Cb -0.01 -3.79 -0.09 0.00 0.00 0.00 0.00 23.12 19.22 2k1g s ALA 132 CO -0.08 -2.67 0.99 -1.54 0.00 0.00 0.00 175.76 172.45 2k1g s SER 133 N 3.57 6.61 0.00 0.00 1.04 0.93 -3.98 113.70 121.88 2k1g s SER 133 Ca 0.21 1.77 0.04 0.00 0.48 0.00 0.00 55.95 58.46 2k1g s SER 133 Cb -0.15 -2.54 0.22 0.00 0.10 0.00 0.00 66.02 63.64 2k1g s SER 133 CO 0.02 -0.60 1.15 0.35 0.98 0.00 0.00 173.24 175.15 2k1g n THR 134 N -0.96 0.05 -0.07 2.02 -2.24 -1.26 -2.12 114.28 109.70 2k1g n THR 134 Ca 0.08 -0.06 -0.13 0.00 -2.27 0.00 0.00 64.05 61.67 2k1g n THR 134 Cb 0.53 -0.01 -0.06 0.00 -2.10 0.00 0.00 70.33 68.70 2k1g n THR 134 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k1g n SER 135 N -0.42 1.68 0.00 3.42 2.88 -1.26 -4.91 113.62 115.01 2k1g n SER 135 Ca 0.04 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.67 2k1g n SER 135 Cb 0.05 -0.35 0.00 0.00 -0.75 0.00 0.00 64.21 63.16 2k1g n SER 135 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2k1g n SER 136 N -3.38 3.78 0.00 -3.46 2.88 -1.25 -5.08 113.62 107.10 2k1g n SER 136 Ca -0.27 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.27 2k1g n SER 136 Cb 0.72 0.37 0.00 0.00 -0.75 0.00 0.00 64.21 64.55 2k1g n SER 136 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k1g n GLY 137 N 2.40 0.21 3.56 0.46 0.00 -0.90 -4.58 105.19 106.34 2k1g n GLY 137 Ca 0.00 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.64 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 3.24 0.32 1.61 1.01 -1.00 -0.05 120.40 125.53 2k1g s VAL 138 Ca 0.00 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.18 2k1g s VAL 138 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2k1g s VAL 138 CO 0.00 -0.55 0.20 0.27 0.00 0.00 0.00 175.10 175.02 2k1g s ILE 139 N 9.92 0.20 -0.18 2.22 -4.36 0.40 -4.55 121.20 124.85 2k1g s ILE 139 Ca 0.79 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 2k1g s ILE 139 Cb -0.15 -2.48 0.02 0.00 1.25 0.00 0.00 42.46 41.10 2k1g s ILE 139 CO 0.24 0.00 -0.19 -0.63 0.24 0.00 0.00 174.94 174.60 2k1g s ILE 140 N -3.53 2.20 0.48 8.37 1.01 -1.26 -0.80 121.20 127.68 2k1g s ILE 140 Ca 0.36 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2k1g s ILE 140 Cb 0.04 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2k1g s ILE 140 CO 0.21 0.53 0.04 -0.94 0.00 0.00 0.00 174.94 174.77 2k1g s SER 141 N 1.22 3.79 0.12 3.58 1.04 -0.55 -4.91 113.70 117.98 2k1g s SER 141 Ca 0.03 -1.66 0.07 0.00 0.48 0.00 0.00 55.95 54.87 2k1g s SER 141 Cb -0.14 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.46 2k1g s SER 141 CO -0.10 -0.87 -0.16 -0.55 0.98 0.00 0.00 173.24 172.54 2k1g s SER 142 N -3.81 2.19 0.66 7.02 0.15 -1.26 -0.96 113.70 117.70 2k1g s SER 142 Ca 0.11 -0.79 0.44 0.00 0.70 0.00 0.00 55.95 56.41 2k1g s SER 142 Cb 0.02 -0.10 2.39 0.00 -1.71 0.00 0.00 66.02 66.63 2k1g s SER 142 CO 0.06 -0.09 2.37 0.24 1.20 0.00 0.00 173.24 177.02 2k1g h MET 143 N 3.61 0.00 0.00 5.44 2.86 -1.41 -1.53 114.93 123.90 2k1g h MET 143 Ca -0.41 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.20 2k1g h MET 143 Cb 1.20 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 2k1g h MET 143 CO 0.48 0.00 -0.13 -0.91 1.06 0.00 0.00 176.91 177.41 2k1g h ASN 144 N 0.00 0.00 -3.36 1.22 2.35 -1.95 -3.24 115.58 110.59 2k1g h ASN 144 Ca -0.00 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.23 2k1g h ASN 144 Cb 0.00 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.40 2k1g h ASN 144 CO 0.00 0.13 0.61 -1.61 -1.65 0.00 0.00 177.43 174.91 2k1g s GLU 145 N -4.07 4.43 0.20 0.81 0.41 -0.58 -4.86 118.70 115.04 2k1g s GLU 145 Ca -0.02 1.94 -0.18 0.00 -0.41 0.00 0.00 54.97 56.30 2k1g s GLU 145 Cb 0.12 -3.24 0.19 0.00 -1.78 0.00 0.00 34.13 29.42 2k1g s GLU 145 CO 0.59 -0.20 1.59 -1.35 -0.49 0.00 0.00 175.26 175.40 2k1g h PRO 146 N 5.64 -0.10 -0.59 0.39 0.11 -1.89 -0.83 132.00 134.74 2k1g h PRO 146 Ca -0.44 0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 2k1g h PRO 146 Cb 1.21 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2k1g h PRO 146 CO 0.77 -0.06 0.33 -0.92 -0.21 0.00 0.00 178.00 177.91 2k1g h TYR 147 N -0.10 0.80 0.01 0.65 3.20 -1.95 -2.93 116.97 116.65 2k1g h TYR 147 Ca 0.28 -0.01 -0.26 0.00 3.14 0.00 0.00 58.73 61.87 2k1g h TYR 147 Cb 0.55 -0.26 0.02 0.00 1.54 0.00 0.00 36.73 38.58 2k1g h TYR 147 CO -0.64 0.57 -1.04 -1.49 -1.64 0.00 0.00 178.16 173.92 2k1g h TRP 148 N 0.80 0.92 -0.61 -3.82 4.06 -1.71 -2.53 115.95 113.06 2k1g h TRP 148 Ca 0.21 -0.51 0.09 0.00 2.06 0.00 0.00 58.89 60.74 2k1g h TRP 148 Cb 0.03 -0.10 -0.07 0.00 -1.00 0.00 0.00 29.16 28.01 2k1g h TRP 148 CO -0.01 1.35 0.23 -0.22 -3.56 0.00 0.00 178.44 176.22 2k1g h LYS 149 N 0.34 0.40 -0.43 0.49 3.64 -1.10 -2.15 116.57 117.76 2k1g h LYS 149 Ca -0.12 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 2k1g h LYS 149 Cb 1.69 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.42 2k1g h LYS 149 CO 0.20 0.27 0.00 0.36 -2.27 0.00 0.00 179.45 178.00 2k1g n LYS 150 N -4.99 2.45 -0.05 1.90 2.85 -1.12 -3.97 118.16 115.23 2k1g n LYS 150 Ca 0.09 -2.20 0.02 0.00 -1.05 0.00 0.00 58.31 55.17 2k1g n LYS 150 Cb 0.27 -1.51 0.05 0.00 -0.65 0.00 0.00 35.03 33.19 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 1.37 2.13 -1.60 -1.58 3.00 -0.96 -5.00 116.66 114.04 2k1g n ARG 151 Ca 0.20 -1.47 -0.39 0.00 -0.01 0.00 0.00 57.85 56.18 2k1g n ARG 151 Cb 0.57 -1.09 -0.03 0.00 0.00 0.00 0.00 32.46 31.91 2k1g n ARG 151 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.63 177.16 2k1g s TYR 152 N -0.84 1.14 -0.14 -1.55 5.04 -0.85 -1.23 117.35 118.91 2k1g s TYR 152 Ca 0.07 1.12 -0.26 0.00 -2.44 0.00 0.00 57.07 55.57 2k1g s TYR 152 Cb 0.04 -3.74 -0.25 0.00 0.35 0.00 0.00 41.96 38.35 2k1g s TYR 152 CO 0.06 -3.16 0.67 -0.97 -1.34 0.00 0.00 175.55 170.81 2k1g h ASN 153 N 17.55 0.08 0.00 4.32 -1.24 -1.06 -3.48 115.58 131.75 2k1g h ASN 153 Ca -0.31 -0.90 0.00 0.00 0.71 0.00 0.00 56.30 55.80 2k1g h ASN 153 Cb 1.25 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.28 2k1g h ASN 153 CO 1.08 1.17 0.00 -1.84 -1.29 0.00 0.00 177.43 176.55 2k1g n GLU 154 N -4.48 -0.74 -3.81 6.67 0.28 -0.93 -5.03 120.64 112.60 2k1g n GLU 154 Ca -0.15 0.00 -0.12 0.00 -0.16 0.00 0.00 57.16 56.72 2k1g n GLU 154 Cb 0.58 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.35 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 -1.00 -0.54 -0.04 -1.84 0.00 -1.24 -0.13 121.76 116.97 2k1g s ALA 155 Ca 0.00 0.26 -0.00 0.00 0.00 0.00 0.00 51.96 52.22 2k1g s ALA 155 Cb 0.00 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.08 2k1g s ALA 155 CO 0.00 -0.19 0.00 1.03 0.00 0.00 0.00 175.76 176.60 2k1g s ARG 156 N -0.87 0.40 -0.33 0.00 1.81 0.56 -0.94 118.95 119.58 2k1g s ARG 156 Ca -0.10 0.09 -0.08 0.00 -1.72 0.00 0.00 55.73 53.93 2k1g s ARG 156 Cb -0.05 -0.65 0.02 0.00 -0.45 0.00 0.00 34.95 33.82 2k1g s ARG 156 CO 0.02 -0.19 0.13 -0.98 -0.68 0.00 0.00 175.30 173.60 2k1g s ARG 157 N 1.36 2.87 0.15 3.54 3.03 -0.43 -0.54 118.95 128.93 2k1g s ARG 157 Ca -0.05 -1.02 0.23 0.00 2.03 0.00 0.00 55.73 56.93 2k1g s ARG 157 Cb -0.13 -3.52 0.19 0.00 -1.03 0.00 0.00 34.95 30.46 2k1g s ARG 157 CO -0.02 -0.59 1.20 -0.39 -1.13 0.00 0.00 175.30 174.36 2k1g h VAL 158 N 5.96 0.00 -4.17 4.99 -1.51 -1.86 -3.25 116.25 116.41 2k1g h VAL 158 Ca -0.27 -0.67 -0.51 0.00 -1.23 0.00 0.00 66.70 64.02 2k1g h VAL 158 Cb 1.11 1.20 0.09 0.00 -2.13 0.00 0.00 31.29 31.56 2k1g h VAL 158 CO 0.62 0.00 0.39 -0.76 -1.23 0.00 0.00 177.57 176.59 2k1g s LEU 159 N -4.62 3.49 -0.24 4.19 1.43 -1.26 -4.86 118.68 116.81 2k1g s LEU 159 Ca 0.04 2.05 -0.27 0.00 -1.03 0.00 0.00 54.13 54.92 2k1g s LEU 159 Cb 0.12 -4.56 0.00 0.00 0.03 0.00 0.00 46.19 41.78 2k1g s LEU 159 CO 0.75 -1.51 0.92 -0.44 0.23 0.00 0.00 176.35 176.31 2k1g s SER 160 N -2.35 6.95 -0.67 2.29 0.01 -1.26 -4.96 113.70 113.71 2k1g s SER 160 Ca 0.69 1.19 -0.26 0.00 1.31 0.00 0.00 55.95 58.88 2k1g s SER 160 Cb -0.21 -2.48 -0.10 0.00 0.21 0.00 0.00 66.02 63.43 2k1g s SER 160 CO 0.37 -0.58 2.37 -0.60 0.41 0.00 0.00 173.24 175.21 2k1g s ARG 161 N 3.00 1.87 0.20 12.44 3.00 -1.26 -4.91 118.95 133.30 2k1g s ARG 161 Ca 0.39 0.81 -0.31 0.00 -1.00 0.00 0.00 55.73 55.63 2k1g s ARG 161 Cb -0.15 -4.71 -0.10 0.00 0.00 0.00 0.00 34.95 29.99 2k1g s ARG 161 CO 0.07 -3.89 1.50 -1.12 0.00 0.00 0.00 175.30 171.86 2k1g s SER 162 N 11.17 6.62 0.08 -2.12 0.01 -1.26 -5.04 113.70 123.17 2k1g s SER 162 Ca 0.92 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.82 2k1g s SER 162 Cb -0.14 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.48 2k1g s SER 162 CO 0.15 -0.77 0.00 0.18 0.41 0.00 0.00 173.24 173.21 2k1g n LEU 163 N 3.17 0.00 0.00 2.44 7.99 -1.26 -5.30 117.00 124.04 2k1g n LEU 163 Ca 0.10 0.00 0.11 0.00 -0.01 0.00 0.00 56.01 56.21 2k1g n LEU 163 Cb 0.39 0.00 0.63 0.00 -0.11 0.00 0.00 43.42 44.34 2k1g n LEU 163 CO 0.61 -0.44 0.82 -0.62 -1.51 0.00 0.00 177.39 176.25