#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 5.33 -0.63 6.12 -0.87 -1.26 -4.91 114.94 118.73 2k1g s ASN 37 Ca 0.00 -0.12 -0.26 0.00 -1.57 0.00 0.00 52.86 50.91 2k1g s ASN 37 Cb 0.00 -2.54 -0.06 0.00 -0.02 0.00 0.00 41.25 38.62 2k1g s ASN 37 CO 0.00 -2.43 2.18 -0.69 -2.57 0.00 0.00 177.10 173.59 2k1g s VAL 38 N 9.03 3.17 -0.38 1.60 1.01 -1.26 -4.89 120.40 128.68 2k1g s VAL 38 Ca 0.65 0.02 -0.28 0.00 0.00 0.00 0.00 61.98 62.37 2k1g s VAL 38 Cb -0.10 -3.43 -0.07 0.00 0.00 0.00 0.00 36.38 32.78 2k1g s VAL 38 CO 0.12 -0.41 2.33 0.47 0.00 0.00 0.00 175.10 177.60 2k1g n ASP 39 N 15.15 2.60 -0.32 3.32 8.00 -1.26 -4.83 116.55 139.21 2k1g n ASP 39 Ca 0.34 -0.08 0.15 0.00 0.71 0.00 0.00 54.79 55.90 2k1g n ASP 39 Cb 0.51 -1.51 0.34 0.00 -0.02 0.00 0.00 41.12 40.44 2k1g n ASP 39 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 2k1g h VAL 40 N 7.43 0.54 -0.56 2.53 2.07 -1.92 -0.75 116.25 125.58 2k1g h VAL 40 Ca -0.31 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.09 2k1g h VAL 40 Cb 1.27 -0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 2k1g h VAL 40 CO 1.07 0.09 0.28 0.50 0.02 0.00 0.00 177.57 179.53 2k1g h LYS 41 N 0.52 0.51 -0.54 1.57 3.64 -1.88 -1.35 116.57 119.04 2k1g h LYS 41 Ca 0.59 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.87 2k1g h LYS 41 Cb 1.09 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.77 2k1g h LYS 41 CO -0.48 0.34 0.04 0.66 -2.27 0.00 0.00 179.45 177.74 2k1g h SER 42 N 0.52 0.84 -0.15 4.20 4.64 -1.53 0.30 113.55 122.38 2k1g h SER 42 Ca 0.26 -0.20 -0.17 0.00 -0.47 0.00 0.00 61.79 61.21 2k1g h SER 42 Cb 0.19 -0.22 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2k1g h SER 42 CO -0.19 0.88 -0.51 0.03 -0.87 0.00 0.00 176.83 176.17 2k1g h ARG 43 N 0.83 0.73 -0.33 4.77 3.08 -1.20 0.11 114.38 122.36 2k1g h ARG 43 Ca 0.16 -0.44 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2k1g h ARG 43 Cb 0.43 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2k1g h ARG 43 CO 0.02 1.06 0.16 0.82 -1.07 0.00 0.00 179.97 180.95 2k1g h ILE 44 N 0.57 1.16 0.00 2.04 2.04 -0.92 -2.28 117.51 120.12 2k1g h ILE 44 Ca 0.02 -0.47 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 2k1g h ILE 44 Cb 1.09 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2k1g h ILE 44 CO 0.11 0.17 -0.38 0.24 0.00 0.00 0.00 178.15 178.29 2k1g h MET 45 N 0.40 0.00 -0.56 2.37 2.86 -0.88 -1.18 114.93 117.94 2k1g h MET 45 Ca 0.11 0.00 0.03 0.00 -2.06 0.00 0.00 59.70 57.78 2k1g h MET 45 Cb 0.13 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.75 2k1g h MET 45 CO -0.01 0.38 0.33 0.22 1.06 0.00 0.00 176.91 178.89 2k1g h ASP 46 N 0.00 0.53 -0.21 1.22 3.58 -0.46 -1.40 116.42 119.69 2k1g h ASP 46 Ca -0.00 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2k1g h ASP 46 Cb 0.67 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2k1g h ASP 46 CO 0.05 0.37 0.03 -0.61 -2.88 0.00 0.00 179.24 176.20 2k1g h GLN 47 N 0.66 0.34 -0.98 0.28 5.75 -0.98 -3.17 115.11 117.01 2k1g h GLN 47 Ca 0.23 -0.09 0.14 0.00 -0.15 0.00 0.00 58.65 58.78 2k1g h GLN 47 Cb 0.04 -0.04 -0.09 0.00 1.07 0.00 0.00 27.48 28.47 2k1g h GLN 47 CO -0.11 0.50 0.62 -0.92 -2.65 0.00 0.00 178.83 176.27 2k1g h TYR 48 N 0.14 1.04 0.00 3.99 3.20 -0.90 0.52 116.97 124.95 2k1g h TYR 48 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2k1g h TYR 48 Cb 0.32 -0.33 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 2k1g h TYR 48 CO 0.02 0.36 -0.06 0.00 -1.64 0.00 0.00 178.16 176.84 2k1g h ALA 49 N 1.58 1.52 0.08 1.82 0.00 -1.23 -1.81 119.26 121.22 2k1g h ALA 49 Ca 0.51 -0.06 -0.25 0.00 0.00 0.00 0.00 54.91 55.11 2k1g h ALA 49 Cb 0.66 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k1g h ALA 49 CO -0.28 0.08 -1.13 0.22 0.00 0.00 0.00 179.25 178.14 2k1g h ASP 50 N 0.00 0.33 -0.67 0.00 3.58 -0.96 -3.31 116.42 115.39 2k1g h ASP 50 Ca -0.00 -0.34 -0.14 0.00 0.42 0.00 0.00 57.03 56.98 2k1g h ASP 50 Cb 0.14 -0.11 -0.08 0.00 1.72 0.00 0.00 39.33 41.01 2k1g h ASP 50 CO 0.01 1.24 0.17 0.79 -2.88 0.00 0.00 179.24 178.57 2k1g n TRP 51 N -3.53 2.27 -1.87 0.28 7.02 -0.73 -4.96 117.44 115.92 2k1g n TRP 51 Ca -0.06 -1.00 -0.42 0.00 -1.02 0.00 0.00 57.50 55.00 2k1g n TRP 51 Cb 0.97 -0.62 -0.03 0.00 -2.42 0.00 0.00 31.31 29.21 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 -2.83 4.17 -0.33 -0.99 -0.14 -0.89 -2.78 119.74 115.96 2k1g s LYS 52 Ca 0.53 2.37 0.00 0.00 -1.36 0.00 0.00 55.97 57.51 2k1g s LYS 52 Cb 0.42 -4.03 0.00 0.00 -1.68 0.00 0.00 37.83 32.53 2k1g s LYS 52 CO 0.14 -0.88 0.00 0.41 -0.76 0.00 0.00 175.35 174.26 2k1g n GLY 53 N 4.29 0.60 3.72 -3.33 0.00 -1.26 -5.02 105.19 104.19 2k1g n GLY 53 Ca 0.18 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.87 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 -2.12 4.89 0.73 1.61 1.01 -1.12 -4.95 120.40 120.45 2k1g s VAL 54 Ca 0.00 1.73 -0.11 0.00 0.00 0.00 0.00 61.98 63.59 2k1g s VAL 54 Cb 0.00 -4.17 0.03 0.00 0.00 0.00 0.00 36.38 32.24 2k1g s VAL 54 CO 0.00 0.25 1.08 0.00 0.00 0.00 0.00 175.10 176.43 2k1g s ARG 55 N 0.65 2.65 0.10 2.72 1.70 -1.26 -2.19 118.95 123.32 2k1g s ARG 55 Ca 0.43 0.63 -0.18 0.00 -0.47 0.00 0.00 55.73 56.15 2k1g s ARG 55 Cb -0.20 -1.98 -0.07 0.00 -0.57 0.00 0.00 34.95 32.13 2k1g s ARG 55 CO 0.23 -1.22 0.57 -0.47 -1.08 0.00 0.00 175.30 173.32 2k1g s TYR 56 N -3.22 3.74 -0.06 5.89 6.14 -1.26 -1.36 117.35 127.23 2k1g s TYR 56 Ca 0.59 1.21 0.02 0.00 0.64 0.00 0.00 57.07 59.53 2k1g s TYR 56 Cb -0.13 -2.46 0.01 0.00 0.42 0.00 0.00 41.96 39.80 2k1g s TYR 56 CO 0.53 0.53 -0.11 0.50 0.64 0.00 0.00 175.55 177.64 2k1g s ARG 57 N -1.39 1.51 -0.88 4.97 3.52 -0.61 -4.61 118.95 121.46 2k1g s ARG 57 Ca 0.32 -0.38 -0.25 0.00 -0.13 0.00 0.00 55.73 55.29 2k1g s ARG 57 Cb -0.18 -1.28 0.01 0.00 -1.56 0.00 0.00 34.95 31.94 2k1g s ARG 57 CO 0.19 0.05 1.58 -0.51 -0.81 0.00 0.00 175.30 175.80 2k1g s LEU 58 N 0.56 3.32 0.00 -0.88 1.02 -1.26 -2.75 118.68 118.69 2k1g s LEU 58 Ca -0.12 -0.81 0.00 0.00 0.02 0.00 0.00 54.13 53.22 2k1g s LEU 58 Cb -0.14 -2.56 0.00 0.00 0.02 0.00 0.00 46.19 43.51 2k1g s LEU 58 CO 0.03 -1.99 0.00 0.61 0.02 0.00 0.00 176.35 175.02 2k1g n GLY 59 N 6.39 -0.25 0.00 -3.19 0.00 -1.26 -5.06 105.19 101.82 2k1g n GLY 59 Ca 0.26 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.82 2.21 3.17 -0.02 0.00 -1.26 -5.03 105.19 103.44 2k1g n GLY 60 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 5.41 0.00 1.61 1.04 -1.26 -3.03 113.70 117.47 2k1g s SER 61 Ca 0.00 -1.89 -0.20 0.00 0.48 0.00 0.00 55.95 54.34 2k1g s SER 61 Cb 0.00 -1.89 0.04 0.00 0.10 0.00 0.00 66.02 64.26 2k1g s SER 61 CO 0.00 -0.57 0.43 0.28 0.98 0.00 0.00 173.24 174.36 2k1g s THR 62 N 1.24 0.04 -1.44 2.02 -1.32 -1.15 -5.03 115.64 110.01 2k1g s THR 62 Ca 0.06 -0.36 0.16 0.00 -1.21 0.00 0.00 61.69 60.34 2k1g s THR 62 Cb -0.24 -0.83 0.28 0.00 -1.51 0.00 0.00 72.50 70.21 2k1g s THR 62 CO -0.02 -0.20 1.44 1.17 -2.21 0.00 0.00 174.62 174.80 2k1g n LYS 63 N 0.90 0.23 -0.46 7.08 4.81 -1.26 -1.15 118.16 128.31 2k1g n LYS 63 Ca -0.20 0.13 0.08 0.00 -0.87 0.00 0.00 58.31 57.46 2k1g n LYS 63 Cb 0.58 -1.50 0.28 0.00 0.02 0.00 0.00 35.03 34.40 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 -1.28 3.33 0.00 1.64 4.76 -1.26 -4.78 118.16 120.57 2k1g n LYS 64 Ca 0.08 -2.67 0.00 0.00 -2.87 0.00 0.00 58.31 52.85 2k1g n LYS 64 Cb 0.12 -1.73 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 2k1g n LYS 64 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2k1g n GLY 65 N 0.47 1.48 3.03 0.72 0.00 -0.30 -4.76 105.19 105.82 2k1g n GLY 65 Ca 0.21 0.36 -0.10 0.00 0.00 0.00 0.00 46.02 46.49 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 0.29 0.64 -0.61 2.07 -0.47 -2.92 121.20 120.21 2k1g s ILE 66 Ca 0.00 -1.13 0.03 0.00 -1.41 0.00 0.00 60.65 58.14 2k1g s ILE 66 Cb 0.00 -0.60 0.12 0.00 0.13 0.00 0.00 42.46 42.11 2k1g s ILE 66 CO 0.00 -0.54 0.88 -0.90 -1.91 0.00 0.00 174.94 172.46 2k1g n ASP 67 N 1.28 1.53 0.26 4.50 5.75 -1.11 -1.58 116.55 127.19 2k1g n ASP 67 Ca -0.22 -2.21 -0.15 0.00 -0.01 0.00 0.00 54.79 52.20 2k1g n ASP 67 Cb 0.56 -0.54 -0.08 0.00 -1.03 0.00 0.00 41.12 40.03 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 -0.82 0.00 -0.33 0.00 4.64 -1.90 -2.30 113.55 112.82 2k1g h SER 69 Ca -0.07 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.20 2k1g h SER 69 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2k1g h SER 69 CO 0.11 0.28 0.01 1.23 -0.87 0.00 0.00 176.83 177.59 2k1g h GLY 70 N 0.96 0.63 0.90 -0.77 0.00 -1.81 -1.67 103.07 101.31 2k1g h GLY 70 Ca -0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 2k1g h GLY 70 CO 0.04 0.42 -0.08 -2.75 0.00 0.00 0.00 176.54 174.17 2k1g h PHE 71 N 0.39 -0.21 -0.47 5.60 3.57 -0.73 -2.65 116.94 122.45 2k1g h PHE 71 Ca 0.10 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2k1g h PHE 71 Cb 0.44 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 2k1g h PHE 71 CO 0.04 -0.04 0.22 -0.24 -2.23 0.00 0.00 178.31 176.05 2k1g h VAL 72 N -0.33 1.19 -0.02 1.41 3.04 -1.47 -1.97 116.25 118.09 2k1g h VAL 72 Ca -0.02 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 65.13 2k1g h VAL 72 Cb 0.26 0.68 -0.00 0.00 -2.01 0.00 0.00 31.29 30.21 2k1g h VAL 72 CO 0.04 0.21 -0.00 0.06 -1.01 0.00 0.00 177.57 176.86 2k1g h GLN 73 N 0.62 0.00 -0.84 4.17 3.07 -1.32 -2.34 115.11 118.47 2k1g h GLN 73 Ca 0.16 -0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.91 2k1g h GLN 73 Cb 0.13 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.64 2k1g h GLN 73 CO -0.02 0.00 0.55 0.00 0.09 0.00 0.00 178.83 179.45 2k1g h ARG 74 N 0.00 1.11 -0.11 0.06 3.08 -1.41 -0.41 114.38 116.71 2k1g h ARG 74 Ca 0.01 -0.07 0.04 0.00 0.07 0.00 0.00 59.98 60.03 2k1g h ARG 74 Cb 0.02 -0.25 -0.05 0.00 0.08 0.00 0.00 29.97 29.77 2k1g h ARG 74 CO -0.02 0.74 -0.17 1.15 -1.07 0.00 0.00 179.97 180.60 2k1g h THR 75 N 1.14 0.56 -0.18 2.04 2.02 -1.03 0.53 112.91 118.00 2k1g h THR 75 Ca 0.31 0.00 -0.19 0.00 0.77 0.00 0.00 66.41 67.30 2k1g h THR 75 Cb -0.12 0.56 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 2k1g h THR 75 CO -0.07 0.00 -0.65 -0.26 0.37 0.00 0.00 175.52 174.92 2k1g h PHE 76 N -0.22 0.86 0.00 3.16 -1.00 -1.21 -0.50 116.94 118.03 2k1g h PHE 76 Ca 0.09 -0.34 -0.00 0.00 2.81 0.00 0.00 57.97 60.53 2k1g h PHE 76 Cb 0.35 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 39.76 2k1g h PHE 76 CO -0.27 1.13 -0.00 0.07 -1.61 0.00 0.00 178.31 177.63 2k1g h ARG 77 N 0.49 0.00 0.00 1.51 -0.00 -0.85 0.49 114.38 116.02 2k1g h ARG 77 Ca -0.01 0.00 -0.40 0.00 -0.00 0.00 0.00 59.98 59.56 2k1g h ARG 77 Cb 1.23 0.00 -0.06 0.00 -0.00 0.00 0.00 29.97 31.14 2k1g h ARG 77 CO 0.13 0.00 -2.19 0.39 -0.00 0.00 0.00 179.97 178.30 2k1g n GLU 78 N -3.10 0.58 -0.05 0.08 1.02 0.16 -3.26 120.64 116.07 2k1g n GLU 78 Ca 0.03 0.35 -0.14 0.00 -0.02 0.00 0.00 57.16 57.37 2k1g n GLU 78 Cb 0.43 -1.56 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 2k1g n GLU 78 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2k1g h GLN 79 N -0.99 0.45 0.00 3.49 1.08 -1.19 -3.37 115.11 114.57 2k1g h GLN 79 Ca -0.61 -0.29 0.00 0.00 -1.45 0.00 0.00 58.65 56.30 2k1g h GLN 79 Cb 1.53 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 29.00 2k1g h GLN 79 CO -0.37 0.90 -0.77 1.19 -0.95 0.00 0.00 178.83 178.83 2k1g n PHE 80 N -4.40 0.00 -2.33 2.96 3.72 -0.25 -5.01 117.46 112.14 2k1g n PHE 80 Ca -0.07 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.25 2k1g n PHE 80 Cb 0.47 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.12 3.69 1.37 0.00 0.15 -4.94 105.19 107.01 2k1g n GLY 81 Ca 0.01 -0.50 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.55 4.21 -1.25 0.99 2.96 -0.31 -4.86 118.68 117.86 2k1g s LEU 82 Ca 0.05 0.67 -0.20 0.00 -0.22 0.00 0.00 54.13 54.43 2k1g s LEU 82 Cb -0.02 -2.62 -0.00 0.00 0.50 0.00 0.00 46.19 44.04 2k1g s LEU 82 CO 0.06 -0.06 1.83 -1.84 -1.32 0.00 0.00 176.35 175.03 2k1g n GLU 83 N 4.17 2.46 -3.66 1.98 0.28 -1.26 -3.16 120.64 121.45 2k1g n GLU 83 Ca -0.07 -2.90 -0.36 0.00 -0.16 0.00 0.00 57.16 53.66 2k1g n GLU 83 Cb 0.51 -3.61 -0.06 0.00 1.43 0.00 0.00 31.44 29.72 2k1g n GLU 83 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 2k1g s LEU 84 N 7.40 4.40 0.00 -1.84 1.43 -1.26 -5.11 118.68 123.70 2k1g s LEU 84 Ca 0.61 0.73 -0.06 0.00 -1.03 0.00 0.00 54.13 54.37 2k1g s LEU 84 Cb 0.02 -2.62 0.09 0.00 0.03 0.00 0.00 46.19 43.70 2k1g s LEU 84 CO 0.11 0.28 0.53 -0.81 0.23 0.00 0.00 176.35 176.69 2k1g n PRO 85 N 1.42 -0.40 -0.70 1.29 -0.04 -1.26 -4.92 135.00 130.40 2k1g n PRO 85 Ca -0.13 -0.90 0.06 0.00 -0.04 0.00 0.00 63.50 62.49 2k1g n PRO 85 Cb 0.53 -0.52 0.33 0.00 -0.04 0.00 0.00 33.50 33.79 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 -2.10 3.80 -3.79 0.54 0.00 -1.26 -4.73 116.66 109.12 2k1g n ARG 86 Ca 0.07 -3.02 -0.14 0.00 -0.00 0.00 0.00 57.85 54.76 2k1g n ARG 86 Cb 0.24 -2.06 -0.15 0.00 -0.00 0.00 0.00 32.46 30.49 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 -1.40 -0.01 0.25 2.89 0.01 -1.26 -4.69 113.70 109.49 2k1g s SER 87 Ca 0.49 0.12 -0.03 0.00 1.31 0.00 0.00 55.95 57.84 2k1g s SER 87 Cb 0.39 0.04 0.47 0.00 0.21 0.00 0.00 66.02 67.13 2k1g s SER 87 CO 0.12 -0.10 1.74 0.74 0.41 0.00 0.00 173.24 176.14 2k1g h THR 88 N 5.91 0.68 0.00 1.44 2.02 -1.90 -0.74 112.91 120.32 2k1g h THR 88 Ca -0.39 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.62 2k1g h THR 88 Cb 1.15 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 67.70 2k1g h THR 88 CO 0.47 0.09 0.07 1.88 0.37 0.00 0.00 175.52 178.39 2k1g h TYR 89 N 0.49 0.00 0.00 3.16 0.05 -1.97 -0.78 116.97 117.93 2k1g h TYR 89 Ca 0.42 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 59.01 2k1g h TYR 89 Cb 0.63 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 2k1g h TYR 89 CO -0.14 0.00 -1.27 0.39 -1.05 0.00 0.00 178.16 176.09 2k1g n GLU 90 N -2.57 0.54 -0.19 4.88 1.02 -0.32 -4.45 120.64 119.55 2k1g n GLU 90 Ca -0.02 0.49 -0.01 0.00 -0.02 0.00 0.00 57.16 57.59 2k1g n GLU 90 Cb 0.11 -1.67 0.09 0.00 -0.02 0.00 0.00 31.44 29.95 2k1g n GLU 90 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2k1g h GLN 91 N -1.00 0.39 -0.78 3.49 4.20 -1.02 -2.14 115.11 118.25 2k1g h GLN 91 Ca -0.30 -0.02 0.17 0.00 0.06 0.00 0.00 58.65 58.56 2k1g h GLN 91 Cb 1.14 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.78 2k1g h GLN 91 CO -0.18 0.26 0.53 -0.56 -0.67 0.00 0.00 178.83 178.21 2k1g h GLN 92 N 0.40 0.35 -0.46 1.46 3.07 -1.41 -1.84 115.11 116.68 2k1g h GLN 92 Ca 0.28 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 59.00 2k1g h GLN 92 Cb 0.32 -0.08 0.00 0.00 0.08 0.00 0.00 27.48 27.80 2k1g h GLN 92 CO -0.27 0.23 0.00 -0.85 0.09 0.00 0.00 178.83 178.03 2k1g n GLU 93 N -4.47 2.90 0.07 0.06 0.28 -0.84 -4.27 120.64 114.36 2k1g n GLU 93 Ca 0.15 -2.31 -0.06 0.00 -0.16 0.00 0.00 57.16 54.78 2k1g n GLU 93 Cb 0.60 -1.42 -0.10 0.00 1.43 0.00 0.00 31.44 31.95 2k1g n GLU 93 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2k1g h MET 94 N 2.74 0.00 0.00 3.44 2.86 -0.89 -3.47 114.93 119.61 2k1g h MET 94 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2k1g h MET 94 Cb 0.89 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.55 2k1g h MET 94 CO 0.03 0.96 0.00 0.41 1.06 0.00 0.00 176.91 179.37 2k1g n GLY 95 N 1.26 1.90 3.53 8.32 0.00 -1.25 -4.97 105.19 113.97 2k1g n GLY 95 Ca -0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 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 4.33 1.85 0.28 1.61 -0.14 -0.48 -4.94 119.74 122.24 2k1g s LYS 96 Ca 0.00 -2.09 0.07 0.00 -1.36 0.00 0.00 55.97 52.60 2k1g s LYS 96 Cb 0.00 -0.91 -0.03 0.00 -1.68 0.00 0.00 37.83 35.20 2k1g s LYS 96 CO 0.00 -0.31 0.20 -1.54 -0.76 0.00 0.00 175.35 172.94 2k1g s SER 97 N -3.60 5.34 0.10 2.83 1.04 -1.26 -0.51 113.70 117.64 2k1g s SER 97 Ca 0.28 -0.37 -0.10 0.00 0.48 0.00 0.00 55.95 56.24 2k1g s SER 97 Cb 0.06 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.97 2k1g s SER 97 CO 0.14 -0.13 0.23 0.68 0.98 0.00 0.00 173.24 175.14 2k1g s VAL 98 N -2.21 0.13 0.56 5.02 -7.23 0.03 -4.90 120.40 111.80 2k1g s VAL 98 Ca 0.35 -1.07 0.04 0.00 -1.81 0.00 0.00 61.98 59.49 2k1g s VAL 98 Cb -0.07 -1.32 0.06 0.00 0.56 0.00 0.00 36.38 35.61 2k1g s VAL 98 CO 0.25 -0.58 0.77 -0.55 -0.31 0.00 0.00 175.10 174.68 2k1g s SER 99 N -2.85 5.14 0.47 4.85 0.15 -1.26 -2.59 113.70 117.61 2k1g s SER 99 Ca 0.05 -0.35 0.24 0.00 0.70 0.00 0.00 55.95 56.59 2k1g s SER 99 Cb 0.04 -0.42 1.25 0.00 -1.71 0.00 0.00 66.02 65.19 2k1g s SER 99 CO -0.11 -1.24 1.86 -0.09 1.20 0.00 0.00 173.24 174.86 2k1g h ARG 100 N 0.11 0.23 0.00 5.44 9.65 -1.99 -1.00 114.38 126.82 2k1g h ARG 100 Ca -0.38 -0.01 -0.06 0.00 -1.10 0.00 0.00 59.98 58.43 2k1g h ARG 100 Cb 1.28 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2k1g h ARG 100 CO 0.46 0.15 -0.49 0.77 2.80 0.00 0.00 179.97 183.65 2k1g h SER 101 N 0.24 0.00 -0.55 -3.80 0.02 -2.06 -3.32 113.55 104.07 2k1g h SER 101 Ca 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2k1g h SER 101 Cb 1.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.98 2k1g h SER 101 CO -0.12 0.24 0.00 0.59 -1.14 0.00 0.00 176.83 176.40 2k1g n ASN 102 N -3.05 4.09 -4.70 3.07 3.02 -0.38 -4.95 115.26 112.35 2k1g n ASN 102 Ca 0.01 -2.37 -0.42 0.00 -0.03 0.00 0.00 54.58 51.77 2k1g n ASN 102 Cb 0.64 -0.53 -0.03 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.61 4.35 0.00 3.41 1.43 -1.23 -4.87 118.68 120.16 2k1g s LEU 103 Ca 0.43 2.25 0.01 0.00 -1.03 0.00 0.00 54.13 55.79 2k1g s LEU 103 Cb 0.28 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 2k1g s LEU 103 CO 0.21 -0.70 0.03 0.54 0.23 0.00 0.00 176.35 176.66 2k1g n ARG 104 N 4.67 1.12 -2.40 1.70 1.74 -1.26 -4.96 116.66 117.27 2k1g n ARG 104 Ca 0.12 -1.74 -0.42 0.00 -0.77 0.00 0.00 57.85 55.05 2k1g n ARG 104 Cb 0.43 0.67 -0.02 0.00 -1.02 0.00 0.00 32.46 32.51 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 -2.06 3.86 0.00 0.55 2.01 -1.26 -3.13 115.64 115.61 2k1g s THR 105 Ca 0.04 0.81 0.00 0.00 0.31 0.00 0.00 61.69 62.85 2k1g s THR 105 Cb 0.00 -4.37 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2k1g s THR 105 CO 0.03 -1.01 0.00 0.61 -0.69 0.00 0.00 174.62 173.56 2k1g n GLY 106 N 5.16 1.84 3.74 4.40 0.00 -0.00 -4.86 105.19 115.48 2k1g n GLY 106 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.42 6.76 -0.26 1.61 1.11 -1.18 -4.70 116.67 118.59 2k1g s ASP 107 Ca 0.00 2.54 -0.19 0.00 0.18 0.00 0.00 52.55 55.08 2k1g s ASP 107 Cb 0.00 -2.62 -0.02 0.00 1.07 0.00 0.00 42.92 41.35 2k1g s ASP 107 CO 0.00 -0.63 0.55 -0.76 1.18 0.00 0.00 175.17 175.51 2k1g s LEU 108 N -0.17 4.06 -0.11 1.23 1.43 0.28 -1.10 118.68 124.31 2k1g s LEU 108 Ca 0.59 0.58 -0.13 0.00 -1.03 0.00 0.00 54.13 54.14 2k1g s LEU 108 Cb -0.39 -2.72 -0.05 0.00 0.03 0.00 0.00 46.19 43.06 2k1g s LEU 108 CO 0.40 -0.31 0.29 0.68 0.23 0.00 0.00 176.35 177.65 2k1g s VAL 109 N 2.34 5.27 -0.20 -1.59 -7.23 -0.24 -0.05 120.40 118.70 2k1g s VAL 109 Ca 0.23 0.56 -0.06 0.00 -1.81 0.00 0.00 61.98 60.89 2k1g s VAL 109 Cb -0.16 -3.61 -0.03 0.00 0.56 0.00 0.00 36.38 33.15 2k1g s VAL 109 CO 0.09 0.49 0.03 -0.76 -0.31 0.00 0.00 175.10 174.64 2k1g s LEU 110 N -0.25 3.49 -0.07 1.32 1.43 -0.09 -1.48 118.68 123.04 2k1g s LEU 110 Ca 0.18 -0.10 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 2k1g s LEU 110 Cb -0.14 -1.89 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 2k1g s LEU 110 CO 0.06 0.09 -0.15 -0.36 0.23 0.00 0.00 176.35 176.22 2k1g s PHE 111 N 0.87 2.69 -1.31 0.29 0.08 0.25 -0.75 117.98 120.10 2k1g s PHE 111 Ca 0.02 -0.36 -0.18 0.00 0.12 0.00 0.00 56.93 56.54 2k1g s PHE 111 Cb -0.14 -1.68 0.05 0.00 -0.57 0.00 0.00 43.02 40.68 2k1g s PHE 111 CO 0.02 0.03 1.85 0.54 -0.10 0.00 0.00 175.22 177.57 2k1g n ARG 112 N 2.71 2.97 -3.30 0.44 1.74 -0.01 -0.98 116.66 120.24 2k1g n ARG 112 Ca -0.17 -3.05 -0.39 0.00 -0.77 0.00 0.00 57.85 53.46 2k1g n ARG 112 Cb 0.52 -3.46 -0.07 0.00 -1.02 0.00 0.00 32.46 28.43 2k1g n ARG 112 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2k1g s ALA 113 N 4.55 3.56 0.51 7.54 0.00 -0.34 -4.93 121.76 132.65 2k1g s ALA 113 Ca 0.54 -0.51 0.28 0.00 0.00 0.00 0.00 51.96 52.27 2k1g s ALA 113 Cb 0.06 -2.77 1.63 0.00 0.00 0.00 0.00 23.12 22.04 2k1g s ALA 113 CO 0.05 -0.48 2.17 0.78 0.00 0.00 0.00 175.76 178.28 2k1g h GLY 114 N 8.07 0.00 1.59 0.00 0.00 -1.93 0.87 103.07 111.67 2k1g h GLY 114 Ca -0.33 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.00 2k1g h GLY 114 CO 0.72 0.00 -0.08 1.44 0.00 0.00 0.00 176.54 178.62 2k1g n SER 115 N -3.77 0.14 0.14 0.19 7.64 -1.26 -4.64 113.62 112.06 2k1g n SER 115 Ca -0.02 0.08 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2k1g n SER 115 Cb 0.16 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 2k1g n SER 115 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2k1g n THR 116 N -1.36 0.00 0.00 0.44 -2.24 -0.58 -5.05 114.28 105.49 2k1g n THR 116 Ca 0.10 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.88 2k1g n THR 116 Cb 0.31 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.06 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 1.35 1.24 3.39 3.38 0.00 0.29 -4.95 105.19 109.89 2k1g n GLY 117 Ca 0.00 -0.55 -0.45 0.00 0.00 0.00 0.00 46.02 45.02 2k1g n GLY 117 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k1g s ARG 118 N 0.00 3.56 -0.26 1.61 1.81 -1.26 -1.20 118.95 123.20 2k1g s ARG 118 Ca 0.00 -2.05 -0.25 0.00 -1.72 0.00 0.00 55.73 51.71 2k1g s ARG 118 Cb 0.00 -4.64 0.00 0.00 -0.45 0.00 0.00 34.95 29.86 2k1g s ARG 118 CO 0.00 -1.53 0.88 -1.58 -0.68 0.00 0.00 175.30 172.38 2k1g s HIS 119 N 1.53 3.27 -0.12 -0.53 5.65 -0.15 -4.84 115.29 120.10 2k1g s HIS 119 Ca 0.24 1.12 -0.04 0.00 0.25 0.00 0.00 55.06 56.63 2k1g s HIS 119 Cb -0.09 -3.20 -0.04 0.00 -1.18 0.00 0.00 32.58 28.08 2k1g s HIS 119 CO -0.08 -0.50 0.04 0.54 -0.65 0.00 0.00 174.74 174.09 2k1g s VAL 120 N 3.02 4.61 0.04 0.89 0.11 -1.26 -0.58 120.40 127.24 2k1g s VAL 120 Ca 0.37 -0.12 0.04 0.00 -2.93 0.00 0.00 61.98 59.33 2k1g s VAL 120 Cb -0.15 -2.99 -0.02 0.00 -1.53 0.00 0.00 36.38 31.69 2k1g s VAL 120 CO 0.09 0.57 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.49 2k1g s GLY 121 N -0.54 0.64 -0.45 6.54 0.00 -0.55 -4.65 107.32 108.32 2k1g s GLY 121 Ca 0.10 -0.79 -0.24 0.00 0.00 0.00 0.00 44.72 43.79 2k1g s GLY 121 CO 0.02 -0.81 0.82 -0.42 0.00 0.00 0.00 173.10 172.71 2k1g s ILE 122 N -1.10 4.61 -0.34 0.90 1.01 0.39 -1.08 121.20 125.59 2k1g s ILE 122 Ca -0.04 0.52 -0.28 0.00 0.00 0.00 0.00 60.65 60.84 2k1g s ILE 122 Cb -0.09 -4.34 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 2k1g s ILE 122 CO 0.01 -0.73 1.80 -0.47 0.00 0.00 0.00 174.94 175.55 2k1g s TYR 123 N 3.38 1.81 0.02 3.97 5.04 -0.25 -1.19 117.35 130.12 2k1g s TYR 123 Ca 0.31 0.63 0.05 0.00 -2.44 0.00 0.00 57.07 55.62 2k1g s TYR 123 Cb -0.12 -4.13 -0.24 0.00 0.35 0.00 0.00 41.96 37.82 2k1g s TYR 123 CO 0.23 -2.91 0.90 -0.84 -1.34 0.00 0.00 175.55 171.59 2k1g h ILE 124 N 6.81 1.20 0.00 3.14 3.07 -1.74 0.03 117.51 130.02 2k1g h ILE 124 Ca -0.33 -2.93 0.00 0.00 1.55 0.00 0.00 64.86 63.15 2k1g h ILE 124 Cb 1.17 2.67 0.00 0.00 -0.27 0.00 0.00 36.82 40.39 2k1g h ILE 124 CO 1.04 0.76 0.00 0.61 -1.05 0.00 0.00 178.15 179.51 2k1g n GLY 125 N 1.55 4.00 3.04 0.16 0.00 -1.13 -4.57 105.19 108.25 2k1g n GLY 125 Ca -0.12 -0.43 -0.14 0.00 0.00 0.00 0.00 46.02 45.33 2k1g n GLY 125 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k1g n ASN 126 N 0.00 -7.34 0.00 1.61 5.15 -1.26 -3.48 115.26 109.94 2k1g n ASN 126 Ca 0.00 0.26 0.00 0.00 -0.60 0.00 0.00 54.58 54.24 2k1g n ASN 126 Cb 0.00 -4.51 0.00 0.00 -0.53 0.00 0.00 39.78 34.74 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2k1g n ASN 127 N -0.56 0.00 -4.80 1.20 3.02 -1.26 -4.92 115.26 107.95 2k1g n ASN 127 Ca 0.05 0.00 -0.36 0.00 -0.03 0.00 0.00 54.58 54.24 2k1g n ASN 127 Cb 0.52 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.62 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 4.42 0.04 3.52 -0.21 -1.23 -0.61 119.66 125.60 2k1g s GLN 128 Ca 0.00 1.18 -0.18 0.00 0.02 0.00 0.00 55.36 56.38 2k1g s GLN 128 Cb 0.00 -2.63 0.03 0.00 1.00 0.00 0.00 33.01 31.42 2k1g s GLN 128 CO 0.00 0.21 0.40 -0.59 -2.12 0.00 0.00 175.29 173.19 2k1g s PHE 129 N -1.77 -0.25 -0.11 0.91 -0.12 0.00 -2.33 117.98 114.31 2k1g s PHE 129 Ca 0.53 0.21 -0.05 0.00 -0.05 0.00 0.00 56.93 57.56 2k1g s PHE 129 Cb -0.15 0.21 -0.04 0.00 -0.63 0.00 0.00 43.02 42.41 2k1g s PHE 129 CO 0.20 -0.56 0.09 0.54 -0.05 0.00 0.00 175.22 175.44 2k1g s VAL 130 N -2.46 5.10 0.35 -2.49 0.11 -0.34 -1.46 120.40 119.21 2k1g s VAL 130 Ca -0.05 0.05 -0.17 0.00 -2.93 0.00 0.00 61.98 58.88 2k1g s VAL 130 Cb -0.01 -3.20 0.05 0.00 -1.53 0.00 0.00 36.38 31.69 2k1g s VAL 130 CO -0.02 0.61 0.79 -1.38 -3.33 0.00 0.00 175.10 171.77 2k1g s HIS 131 N -0.91 0.05 -0.35 1.54 -3.43 -0.56 -0.46 115.29 111.17 2k1g s HIS 131 Ca 0.14 -0.67 -0.00 0.00 -0.80 0.00 0.00 55.06 53.72 2k1g s HIS 131 Cb -0.12 0.81 0.09 0.00 -1.43 0.00 0.00 32.58 31.93 2k1g s HIS 131 CO 0.03 -1.47 0.08 0.00 -2.00 0.00 0.00 174.74 171.39 2k1g s ALA 132 N -2.62 2.95 0.39 -1.38 0.00 -1.26 -0.50 121.76 119.34 2k1g s ALA 132 Ca 0.15 -2.27 -0.20 0.00 0.00 0.00 0.00 51.96 49.64 2k1g s ALA 132 Cb -0.05 -2.10 -0.10 0.00 0.00 0.00 0.00 23.12 20.86 2k1g s ALA 132 CO 0.10 -1.58 0.90 -1.12 0.00 0.00 0.00 175.76 174.06 2k1g s SER 133 N 1.37 6.94 0.22 0.00 0.01 0.78 -4.24 113.70 118.77 2k1g s SER 133 Ca 0.04 1.61 -0.08 0.00 1.31 0.00 0.00 55.95 58.83 2k1g s SER 133 Cb -0.21 -2.50 0.28 0.00 0.21 0.00 0.00 66.02 63.80 2k1g s SER 133 CO -0.04 -0.29 1.80 0.71 0.41 0.00 0.00 173.24 175.83 2k1g h THR 134 N 2.00 0.93 0.00 1.44 1.35 -1.97 0.81 112.91 117.48 2k1g h THR 134 Ca -0.49 -0.23 -0.40 0.00 -0.55 0.00 0.00 66.41 64.74 2k1g h THR 134 Cb 1.18 0.19 -0.07 0.00 -1.73 0.00 0.00 68.15 67.72 2k1g h THR 134 CO 0.62 0.12 -2.48 -1.20 -0.25 0.00 0.00 175.52 172.34 2k1g n SER 135 N -4.80 1.99 0.16 5.36 7.64 -1.26 -4.38 113.62 118.32 2k1g n SER 135 Ca 0.10 -0.04 0.03 0.00 1.01 0.00 0.00 58.87 59.97 2k1g n SER 135 Cb 0.21 -0.49 0.15 0.00 -1.01 0.00 0.00 64.21 63.07 2k1g n SER 135 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2k1g h SER 136 N -0.21 0.00 0.00 6.43 0.02 -1.98 -3.46 113.55 114.36 2k1g h SER 136 Ca -0.60 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.35 2k1g h SER 136 Cb 1.83 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.37 2k1g h SER 136 CO -0.16 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.62 2k1g n GLY 137 N 0.81 -0.70 3.56 -3.77 0.00 0.28 -4.74 105.19 100.63 2k1g n GLY 137 Ca 0.01 -1.22 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 3.32 0.37 1.61 1.01 -0.93 -0.16 120.40 125.62 2k1g s VAL 138 Ca 0.00 0.23 0.06 0.00 0.00 0.00 0.00 61.98 62.27 2k1g s VAL 138 Cb 0.00 -3.69 -0.03 0.00 0.00 0.00 0.00 36.38 32.67 2k1g s VAL 138 CO 0.00 -0.61 0.23 0.27 0.00 0.00 0.00 175.10 174.98 2k1g s ILE 139 N 9.10 0.21 -0.09 2.22 -4.36 0.34 -4.37 121.20 124.25 2k1g s ILE 139 Ca 0.76 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 59.16 2k1g s ILE 139 Cb -0.16 -2.41 -0.02 0.00 1.25 0.00 0.00 42.46 41.12 2k1g s ILE 139 CO 0.25 0.00 -0.11 -0.63 0.24 0.00 0.00 174.94 174.69 2k1g s ILE 140 N -3.32 3.31 0.36 8.37 -1.09 -1.26 -1.50 121.20 126.07 2k1g s ILE 140 Ca 0.33 -0.61 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 2k1g s ILE 140 Cb 0.02 -2.36 -0.03 0.00 -1.58 0.00 0.00 42.46 38.51 2k1g s ILE 140 CO 0.23 0.56 0.14 -0.44 -1.23 0.00 0.00 174.94 174.20 2k1g s SER 141 N -0.30 2.30 0.02 3.58 0.01 -0.53 -4.98 113.70 113.80 2k1g s SER 141 Ca 0.03 -1.61 0.01 0.00 1.31 0.00 0.00 55.95 55.69 2k1g s SER 141 Cb -0.13 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.50 2k1g s SER 141 CO 0.03 -0.89 -0.05 -0.55 0.41 0.00 0.00 173.24 172.19 2k1g s SER 142 N -3.51 0.54 0.60 2.44 0.15 -1.26 -0.82 113.70 111.85 2k1g s SER 142 Ca 0.30 -0.32 0.38 0.00 0.70 0.00 0.00 55.95 57.01 2k1g s SER 142 Cb 0.04 0.01 1.84 0.00 -1.71 0.00 0.00 66.02 66.20 2k1g s SER 142 CO 0.16 -0.11 2.16 0.24 1.20 0.00 0.00 173.24 176.90 2k1g h MET 143 N 5.25 0.00 0.00 5.44 2.86 -1.22 -2.64 114.93 124.61 2k1g h MET 143 Ca -0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.33 2k1g h MET 143 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 2k1g h MET 143 CO 0.45 0.01 0.00 -2.95 1.06 0.00 0.00 176.91 175.48 2k1g h ASN 144 N 0.00 0.00 -3.04 1.22 7.08 -1.97 -3.30 115.58 115.58 2k1g h ASN 144 Ca -0.00 0.00 -0.53 0.00 -3.08 0.00 0.00 56.30 52.69 2k1g h ASN 144 Cb 0.28 0.00 0.03 0.00 -2.08 0.00 0.00 38.32 36.55 2k1g h ASN 144 CO 0.00 0.00 0.74 -1.61 -2.08 0.00 0.00 177.43 174.48 2k1g s GLU 145 N -3.35 4.31 0.23 4.14 2.02 -1.00 -4.84 118.70 120.21 2k1g s GLU 145 Ca 0.05 2.11 -0.08 0.00 0.02 0.00 0.00 54.97 57.08 2k1g s GLU 145 Cb 0.08 -3.23 0.38 0.00 0.10 0.00 0.00 34.13 31.46 2k1g s GLU 145 CO 0.59 -0.44 1.68 -1.00 0.02 0.00 0.00 175.26 176.12 2k1g h PRO 146 N 6.58 0.22 -0.35 0.39 0.13 -1.90 0.11 132.00 137.18 2k1g h PRO 146 Ca -0.43 -0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k1g h PRO 146 Cb 1.21 -0.05 -0.02 0.00 0.13 0.00 0.00 31.00 32.27 2k1g h PRO 146 CO 0.86 0.15 0.20 -0.92 -0.23 0.00 0.00 178.00 178.06 2k1g h TYR 147 N 0.23 0.46 -0.14 1.56 3.20 -1.96 -2.45 116.97 117.88 2k1g h TYR 147 Ca 0.37 -0.00 -0.23 0.00 3.14 0.00 0.00 58.73 62.01 2k1g h TYR 147 Cb 0.61 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.74 2k1g h TYR 147 CO -0.29 0.35 -0.81 -1.49 -1.64 0.00 0.00 178.16 174.28 2k1g h TRP 148 N 0.44 1.06 -0.67 -3.82 4.06 -1.62 -1.72 115.95 113.68 2k1g h TRP 148 Ca 0.12 -0.48 0.10 0.00 2.06 0.00 0.00 58.89 60.70 2k1g h TRP 148 Cb 0.03 -0.16 -0.08 0.00 -1.00 0.00 0.00 29.16 27.95 2k1g h TRP 148 CO -0.03 1.31 0.29 -0.22 -3.56 0.00 0.00 178.44 176.22 2k1g h LYS 149 N 0.52 0.47 0.04 0.49 3.64 -0.75 0.46 116.57 121.44 2k1g h LYS 149 Ca -0.06 -0.03 -0.22 0.00 -1.27 0.00 0.00 60.65 59.07 2k1g h LYS 149 Cb 1.44 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.14 2k1g h LYS 149 CO 0.16 0.31 -1.03 1.57 -2.27 0.00 0.00 179.45 178.20 2k1g h LYS 150 N 0.49 0.14 0.00 1.90 2.10 -1.43 -3.16 116.57 116.60 2k1g h LYS 150 Ca 0.34 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.79 2k1g h LYS 150 Cb 0.42 0.07 0.00 0.00 -0.90 0.00 0.00 32.23 31.82 2k1g h LYS 150 CO -0.31 1.04 0.00 0.00 -2.00 0.00 0.00 179.45 178.19 2k1g h ARG 151 N 0.05 0.00 -6.03 0.07 2.47 -0.74 -3.45 114.38 106.76 2k1g h ARG 151 Ca -0.06 0.00 -0.62 0.00 -1.26 0.00 0.00 59.98 58.04 2k1g h ARG 151 Cb 1.74 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 30.05 2k1g h ARG 151 CO 0.15 0.00 1.41 0.98 0.56 0.00 0.00 179.97 183.08 2k1g n TYR 152 N -2.91 1.90 -0.08 3.04 9.36 0.10 -0.83 117.16 127.73 2k1g n TYR 152 Ca 0.01 0.02 -0.09 0.00 3.32 0.00 0.00 57.90 61.16 2k1g n TYR 152 Cb 0.29 -2.65 -0.04 0.00 -0.63 0.00 0.00 39.34 36.30 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 13.29 0.00 -5.59 2.98 -0.00 -1.24 -3.47 115.58 121.54 2k1g h ASN 153 Ca -0.37 -0.16 0.25 0.00 -0.00 0.00 0.00 56.30 56.01 2k1g h ASN 153 Cb 1.27 0.00 -0.06 0.00 -0.00 0.00 0.00 38.32 39.53 2k1g h ASN 153 CO 0.98 0.95 0.71 -1.83 -0.00 0.00 0.00 177.43 178.24 2k1g s GLU 154 N -2.23 0.87 0.14 6.67 -1.05 -1.17 -5.04 118.70 116.89 2k1g s GLU 154 Ca -0.18 -0.54 0.08 0.00 -0.15 0.00 0.00 54.97 54.18 2k1g s GLU 154 Cb 0.03 0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.93 2k1g s GLU 154 CO 0.32 -0.40 -0.18 0.00 0.95 0.00 0.00 175.26 175.94 2k1g s ALA 155 N -2.28 1.89 0.16 -0.84 0.00 -1.07 -0.92 121.76 118.70 2k1g s ALA 155 Ca 0.22 -1.41 -0.02 0.00 0.00 0.00 0.00 51.96 50.76 2k1g s ALA 155 Cb -0.01 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.89 2k1g s ALA 155 CO 0.02 0.25 0.11 1.03 0.00 0.00 0.00 175.76 177.16 2k1g s ARG 156 N -2.57 1.05 -0.22 0.00 1.81 0.93 -0.79 118.95 119.16 2k1g s ARG 156 Ca 0.13 -1.48 -0.17 0.00 -1.72 0.00 0.00 55.73 52.49 2k1g s ARG 156 Cb -0.07 0.27 0.06 0.00 -0.45 0.00 0.00 34.95 34.76 2k1g s ARG 156 CO 0.06 -0.33 0.56 -0.98 -0.68 0.00 0.00 175.30 173.93 2k1g s ARG 157 N -4.08 0.62 0.00 3.54 3.03 0.33 0.10 118.95 122.50 2k1g s ARG 157 Ca 0.28 0.88 0.19 0.00 2.03 0.00 0.00 55.73 59.11 2k1g s ARG 157 Cb 0.07 0.22 0.29 0.00 -1.03 0.00 0.00 34.95 34.50 2k1g s ARG 157 CO 0.05 -0.11 1.23 1.33 -1.13 0.00 0.00 175.30 176.67 2k1g n VAL 158 N 3.37 0.38 -2.99 4.99 0.24 -1.26 -1.38 118.33 121.69 2k1g n VAL 158 Ca -0.17 -0.69 -0.28 0.00 -2.04 0.00 0.00 64.34 61.16 2k1g n VAL 158 Cb 0.56 1.05 -0.02 0.00 -1.47 0.00 0.00 33.84 33.97 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 -1.36 3.85 0.49 1.34 1.43 -1.26 -4.85 118.68 118.32 2k1g s LEU 159 Ca 0.29 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.28 2k1g s LEU 159 Cb 0.18 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.63 2k1g s LEU 159 CO 0.25 -0.38 0.04 -0.55 0.23 0.00 0.00 176.35 175.94 2k1g s SER 160 N -3.55 3.78 -0.16 2.29 0.15 -1.26 -4.97 113.70 109.98 2k1g s SER 160 Ca 0.47 -1.69 0.01 0.00 0.70 0.00 0.00 55.95 55.44 2k1g s SER 160 Cb -0.10 0.58 0.01 0.00 -1.71 0.00 0.00 66.02 64.79 2k1g s SER 160 CO 0.36 -0.91 -0.18 -0.60 1.20 0.00 0.00 173.24 173.11 2k1g s ARG 161 N -3.83 3.10 0.30 5.44 3.52 -1.26 -5.12 118.95 121.11 2k1g s ARG 161 Ca 0.09 -0.80 -0.28 0.00 -0.13 0.00 0.00 55.73 54.61 2k1g s ARG 161 Cb 0.01 -2.55 -0.09 0.00 -1.56 0.00 0.00 34.95 30.76 2k1g s ARG 161 CO 0.06 -0.04 0.97 -1.12 -0.81 0.00 0.00 175.30 174.36 2k1g s SER 162 N 0.92 7.37 0.56 -2.12 0.01 -1.26 -5.08 113.70 114.10 2k1g s SER 162 Ca -0.04 1.95 0.02 0.00 1.31 0.00 0.00 55.95 59.19 2k1g s SER 162 Cb -0.15 -2.60 0.04 0.00 0.21 0.00 0.00 66.02 63.53 2k1g s SER 162 CO -0.03 -0.05 0.78 -0.76 0.41 0.00 0.00 173.24 173.60 2k1g s LEU 163 N -1.75 3.27 0.00 2.44 2.01 -1.26 -5.34 118.68 118.05 2k1g s LEU 163 Ca 0.47 -0.12 0.25 0.00 0.01 0.00 0.00 54.13 54.74 2k1g s LEU 163 Cb -0.23 -2.71 0.34 0.00 0.01 0.00 0.00 46.19 43.60 2k1g s LEU 163 CO 0.29 -1.20 1.35 -1.84 1.01 0.00 0.00 176.35 175.96