#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1g n ASN 37 N 0.00 2.48 -4.24 7.83 4.13 -1.26 -4.96 115.26 119.25 2k1g n ASN 37 Ca 0.00 1.07 -0.43 0.00 1.68 0.00 0.00 54.58 56.91 2k1g n ASN 37 Cb 0.00 -1.25 -0.06 0.00 -1.54 0.00 0.00 39.78 36.93 2k1g n ASN 37 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2k1g s VAL 38 N 2.16 4.72 -0.39 2.41 1.01 -1.26 -5.05 120.40 124.01 2k1g s VAL 38 Ca 0.89 -2.31 -0.27 0.00 0.00 0.00 0.00 61.98 60.29 2k1g s VAL 38 Cb -0.89 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 31.44 2k1g s VAL 38 CO 0.52 -0.91 2.18 -1.81 0.00 0.00 0.00 175.10 175.08 2k1g s ASP 39 N 2.09 5.11 0.24 3.32 1.11 -1.26 -4.85 116.67 122.43 2k1g s ASP 39 Ca 0.13 1.31 -0.05 0.00 0.18 0.00 0.00 52.55 54.11 2k1g s ASP 39 Cb -0.19 -2.51 0.46 0.00 1.07 0.00 0.00 42.92 41.75 2k1g s ASP 39 CO -0.04 -2.32 1.67 0.58 1.18 0.00 0.00 175.17 176.24 2k1g h VAL 40 N 7.27 0.48 -0.53 -1.27 2.07 -1.96 -1.81 116.25 120.49 2k1g h VAL 40 Ca -0.32 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.20 2k1g h VAL 40 Cb 1.23 0.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 2k1g h VAL 40 CO 1.08 0.04 0.20 0.50 0.02 0.00 0.00 177.57 179.41 2k1g h LYS 41 N 0.23 0.37 -0.58 1.57 3.64 -1.88 -1.89 116.57 118.02 2k1g h LYS 41 Ca 0.42 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2k1g h LYS 41 Cb 0.72 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.43 2k1g h LYS 41 CO -0.54 0.24 0.36 0.66 -2.27 0.00 0.00 179.45 177.90 2k1g h SER 42 N 0.38 0.69 0.69 4.20 4.64 -1.73 -2.00 113.55 120.42 2k1g h SER 42 Ca 0.26 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.39 2k1g h SER 42 Cb 0.29 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 2k1g h SER 42 CO -0.26 0.53 -0.70 0.03 -0.87 0.00 0.00 176.83 175.56 2k1g h ARG 43 N 0.78 0.00 -0.48 4.77 3.08 -1.37 -0.20 114.38 120.97 2k1g h ARG 43 Ca 0.21 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.22 2k1g h ARG 43 Cb -0.04 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 29.99 2k1g h ARG 43 CO -0.04 0.70 0.17 0.82 -1.07 0.00 0.00 179.97 180.54 2k1g h ILE 44 N 0.00 1.22 -0.42 2.04 2.04 -1.09 -2.38 117.51 118.92 2k1g h ILE 44 Ca -0.01 -0.71 -0.10 0.00 1.00 0.00 0.00 64.86 65.05 2k1g h ILE 44 Cb 1.23 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2k1g h ILE 44 CO 0.09 0.26 -0.13 0.24 0.00 0.00 0.00 178.15 178.61 2k1g h MET 45 N 0.63 0.76 -0.76 2.37 2.86 -1.20 -0.73 114.93 118.86 2k1g h MET 45 Ca 0.16 -0.26 0.11 0.00 -2.06 0.00 0.00 59.70 57.64 2k1g h MET 45 Cb 0.24 -0.06 -0.08 0.00 0.06 0.00 0.00 31.60 31.76 2k1g h MET 45 CO -0.01 0.85 0.39 0.22 1.06 0.00 0.00 176.91 179.42 2k1g h ASP 46 N 0.68 0.50 0.23 1.22 3.58 -0.80 0.15 116.42 121.99 2k1g h ASP 46 Ca 0.11 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.62 2k1g h ASP 46 Cb 0.61 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2k1g h ASP 46 CO 0.04 0.27 -0.11 -0.61 -2.88 0.00 0.00 179.24 175.95 2k1g h GLN 47 N 0.63 -0.30 -1.01 0.28 5.75 -1.23 -3.32 115.11 115.90 2k1g h GLN 47 Ca 0.39 0.02 0.24 0.00 -0.15 0.00 0.00 58.65 59.14 2k1g h GLN 47 Cb 0.44 0.07 -0.12 0.00 1.07 0.00 0.00 27.48 28.94 2k1g h GLN 47 CO -0.29 0.07 0.60 -0.92 -2.65 0.00 0.00 178.83 175.64 2k1g h TYR 48 N -0.81 1.00 -0.79 3.99 3.20 -0.75 -0.37 116.97 122.45 2k1g h TYR 48 Ca -0.03 0.03 0.17 0.00 3.14 0.00 0.00 58.73 62.04 2k1g h TYR 48 Cb 0.51 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 38.44 2k1g h TYR 48 CO 0.05 0.09 0.53 0.00 -1.64 0.00 0.00 178.16 177.20 2k1g h ALA 49 N 1.71 2.22 0.00 1.82 0.00 -0.82 0.22 119.26 124.41 2k1g h ALA 49 Ca 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.49 2k1g h ALA 49 Cb 1.19 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k1g h ALA 49 CO -0.44 -0.45 -0.27 -0.44 0.00 0.00 0.00 179.25 177.65 2k1g h ASP 50 N 0.35 0.00 -0.02 0.00 5.19 -1.21 -3.25 116.42 117.48 2k1g h ASP 50 Ca 0.39 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.80 2k1g h ASP 50 Cb 1.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.52 2k1g h ASP 50 CO -0.12 0.27 -0.03 0.79 -3.12 0.00 0.00 179.24 177.03 2k1g n TRP 51 N -3.27 0.00 -1.80 4.55 7.02 0.70 -4.85 117.44 119.80 2k1g n TRP 51 Ca 0.01 0.00 -0.29 0.00 -1.02 0.00 0.00 57.50 56.20 2k1g n TRP 51 Cb 0.55 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.39 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 -2.03 2.22 0.00 -0.99 1.02 -0.84 -1.15 119.74 117.96 2k1g s LYS 52 Ca 0.30 0.60 0.00 0.00 0.02 0.00 0.00 55.97 56.89 2k1g s LYS 52 Cb 0.20 -4.69 0.00 0.00 -0.52 0.00 0.00 37.83 32.82 2k1g s LYS 52 CO 0.33 -3.45 0.00 0.41 -0.92 0.00 0.00 175.35 171.72 2k1g n GLY 53 N 6.31 1.37 3.69 -3.33 0.00 -1.26 -5.10 105.19 106.86 2k1g n GLY 53 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.42 4.11 0.51 1.61 1.01 -0.30 -4.98 120.40 120.95 2k1g s VAL 54 Ca 0.00 1.45 -0.06 0.00 0.00 0.00 0.00 61.98 63.37 2k1g s VAL 54 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2k1g s VAL 54 CO 0.00 -0.01 0.83 0.00 0.00 0.00 0.00 175.10 175.92 2k1g s ARG 55 N 2.34 3.47 0.00 2.72 1.70 -1.26 -1.83 118.95 126.08 2k1g s ARG 55 Ca 0.58 0.24 -0.30 0.00 -0.47 0.00 0.00 55.73 55.78 2k1g s ARG 55 Cb -0.26 -2.32 -0.04 0.00 -0.57 0.00 0.00 34.95 31.75 2k1g s ARG 55 CO 0.23 -0.32 1.21 -0.47 -1.08 0.00 0.00 175.30 174.86 2k1g s TYR 56 N -2.83 3.29 -0.06 5.89 5.04 -1.25 -1.67 117.35 125.75 2k1g s TYR 56 Ca 0.49 1.24 -0.01 0.00 -2.44 0.00 0.00 57.07 56.35 2k1g s TYR 56 Cb -0.10 -3.43 0.03 0.00 0.35 0.00 0.00 41.96 38.81 2k1g s TYR 56 CO 0.46 -1.33 0.02 0.50 -1.34 0.00 0.00 175.55 173.86 2k1g s ARG 57 N 1.67 0.40 -0.14 4.97 3.52 -0.54 -4.76 118.95 124.07 2k1g s ARG 57 Ca 0.58 0.17 -0.29 0.00 -0.13 0.00 0.00 55.73 56.05 2k1g s ARG 57 Cb -0.27 -0.79 -0.02 0.00 -1.56 0.00 0.00 34.95 32.32 2k1g s ARG 57 CO 0.26 -0.28 1.22 -0.51 -0.81 0.00 0.00 175.30 175.17 2k1g s LEU 58 N 1.87 4.20 0.00 -0.88 1.43 -1.26 -2.08 118.68 121.96 2k1g s LEU 58 Ca 0.03 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 2k1g s LEU 58 Cb -0.12 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.55 2k1g s LEU 58 CO -0.04 -0.70 0.00 0.61 0.23 0.00 0.00 176.35 176.45 2k1g n GLY 59 N 3.50 0.64 3.30 -3.19 0.00 -1.26 -5.04 105.19 103.14 2k1g n GLY 59 Ca 0.13 -0.71 -0.12 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.66 -0.32 -0.34 -0.02 0.00 -1.24 -5.11 107.32 97.63 2k1g s GLY 60 Ca 0.00 1.35 0.02 0.00 0.00 0.00 0.00 44.72 46.09 2k1g s GLY 60 CO 0.00 1.32 0.09 -1.35 0.00 0.00 0.00 173.10 173.16 2k1g s SER 61 N 0.74 4.39 0.18 1.64 1.04 -1.26 -3.25 113.70 117.18 2k1g s SER 61 Ca -0.04 -2.01 -0.22 0.00 0.48 0.00 0.00 55.95 54.15 2k1g s SER 61 Cb -0.05 -1.28 0.06 0.00 0.10 0.00 0.00 66.02 64.84 2k1g s SER 61 CO -0.05 -0.38 0.62 0.28 0.98 0.00 0.00 173.24 174.68 2k1g s THR 62 N 1.11 0.00 -1.66 2.02 -1.32 -0.81 -5.02 115.64 109.96 2k1g s THR 62 Ca 0.11 -0.20 0.12 0.00 -1.21 0.00 0.00 61.69 60.51 2k1g s THR 62 Cb -0.19 -1.19 0.27 0.00 -1.51 0.00 0.00 72.50 69.88 2k1g s THR 62 CO -0.14 -0.01 1.24 1.17 -2.21 0.00 0.00 174.62 174.67 2k1g n LYS 63 N -0.39 0.26 0.07 7.08 4.81 -1.26 -0.82 118.16 127.91 2k1g n LYS 63 Ca -0.15 0.10 0.11 0.00 -0.87 0.00 0.00 58.31 57.51 2k1g n LYS 63 Cb 0.64 -1.50 -0.03 0.00 0.02 0.00 0.00 35.03 34.16 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 -1.17 0.58 0.00 1.64 4.76 -1.26 -4.79 118.16 117.92 2k1g n LYS 64 Ca 0.07 0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 2k1g n LYS 64 Cb 0.07 -1.74 0.00 0.00 -1.84 0.00 0.00 35.03 31.53 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 1.22 1.93 3.44 0.72 0.00 -0.00 -4.56 105.19 107.94 2k1g n GLY 65 Ca -0.01 0.09 -0.16 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.65 0.02 0.56 -0.61 2.07 -0.67 -1.93 121.20 119.98 2k1g s ILE 66 Ca 0.00 -0.13 0.09 0.00 -1.41 0.00 0.00 60.65 59.21 2k1g s ILE 66 Cb 0.00 -0.92 0.09 0.00 0.13 0.00 0.00 42.46 41.76 2k1g s ILE 66 CO 0.00 -0.07 0.77 -0.90 -1.91 0.00 0.00 174.94 172.83 2k1g n ASP 67 N 0.87 2.05 0.30 4.50 5.68 -0.89 -1.46 116.55 127.60 2k1g n ASP 67 Ca -0.19 -2.49 -0.17 0.00 -0.50 0.00 0.00 54.79 51.44 2k1g n ASP 67 Cb 0.57 -0.41 -0.08 0.00 -1.14 0.00 0.00 41.12 40.07 2k1g n ASP 67 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2k1g h SER 69 N -0.83 0.72 -0.42 0.00 4.64 -1.90 -2.69 113.55 113.07 2k1g h SER 69 Ca -0.06 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.10 2k1g h SER 69 Cb 0.68 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 2k1g h SER 69 CO 0.05 0.54 -0.26 1.23 -0.87 0.00 0.00 176.83 177.52 2k1g h GLY 70 N 0.86 1.00 0.92 -0.77 0.00 -1.80 -2.71 103.07 100.57 2k1g h GLY 70 Ca 0.22 -0.94 -0.00 0.00 0.00 0.00 0.00 47.33 46.61 2k1g h GLY 70 CO -0.04 0.85 -0.04 -2.75 0.00 0.00 0.00 176.54 174.56 2k1g h PHE 71 N 0.75 -0.11 -0.42 5.60 3.57 -0.96 -2.51 116.94 122.86 2k1g h PHE 71 Ca 0.09 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2k1g h PHE 71 Cb 0.84 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.60 2k1g h PHE 71 CO 0.06 0.01 0.07 -0.24 -2.23 0.00 0.00 178.31 175.98 2k1g h VAL 72 N -0.20 1.24 -0.78 1.41 3.04 -1.58 -2.21 116.25 117.16 2k1g h VAL 72 Ca -0.01 -0.88 -0.03 0.00 -1.01 0.00 0.00 66.70 64.77 2k1g h VAL 72 Cb 0.17 0.99 -0.04 0.00 -2.01 0.00 0.00 31.29 30.40 2k1g h VAL 72 CO 0.02 0.30 0.38 0.06 -1.01 0.00 0.00 177.57 177.32 2k1g h GLN 73 N 0.56 1.11 0.36 4.17 3.07 -1.48 -2.75 115.11 120.16 2k1g h GLN 73 Ca 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 58.65 58.70 2k1g h GLN 73 Cb 0.37 -0.20 0.00 0.00 0.08 0.00 0.00 27.48 27.73 2k1g h GLN 73 CO 0.01 0.85 -0.17 0.00 0.09 0.00 0.00 178.83 179.61 2k1g h ARG 74 N 1.10 -0.47 -0.92 0.06 3.08 -1.36 -2.63 114.38 113.25 2k1g h ARG 74 Ca 0.27 0.03 0.23 0.00 0.07 0.00 0.00 59.98 60.58 2k1g h ARG 74 Cb 0.11 0.11 -0.13 0.00 0.08 0.00 0.00 29.97 30.13 2k1g h ARG 74 CO -0.03 -0.16 0.41 1.15 -1.07 0.00 0.00 179.97 180.27 2k1g h THR 75 N -0.85 0.45 -0.05 2.04 2.02 -1.29 0.21 112.91 115.45 2k1g h THR 75 Ca -0.05 -0.13 -0.21 0.00 0.77 0.00 0.00 66.41 66.78 2k1g h THR 75 Cb 0.53 0.02 0.01 0.00 -1.74 0.00 0.00 68.15 66.98 2k1g h THR 75 CO 0.08 0.07 -0.81 -0.26 0.37 0.00 0.00 175.52 174.98 2k1g h PHE 76 N 0.39 0.90 0.00 3.16 -1.00 -1.55 -2.54 116.94 116.31 2k1g h PHE 76 Ca 0.58 -0.46 -0.12 0.00 2.81 0.00 0.00 57.97 60.79 2k1g h PHE 76 Cb 1.14 -0.12 -0.02 0.00 3.61 0.00 0.00 35.95 40.57 2k1g h PHE 76 CO -0.13 1.28 -0.56 0.07 -1.61 0.00 0.00 178.31 177.36 2k1g h ARG 77 N 0.27 0.00 0.12 1.51 0.11 0.05 0.21 114.38 116.65 2k1g h ARG 77 Ca -0.09 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.65 2k1g h ARG 77 Cb 1.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.53 2k1g h ARG 77 CO 0.16 0.56 -1.81 0.93 0.10 0.00 0.00 179.97 179.92 2k1g h GLU 78 N 0.00 0.25 0.01 0.08 5.08 -0.74 -3.17 114.58 116.10 2k1g h GLU 78 Ca -0.01 -0.43 -0.33 0.00 -1.00 0.00 0.00 59.36 57.60 2k1g h GLU 78 Cb 1.28 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.65 2k1g h GLU 78 CO 0.07 1.11 -1.79 1.04 -1.00 0.00 0.00 179.01 178.44 2k1g n GLN 79 N -3.44 0.60 0.00 2.33 3.00 -0.96 -4.62 117.38 114.30 2k1g n GLN 79 Ca -0.25 0.43 0.10 0.00 -0.01 0.00 0.00 57.00 57.27 2k1g n GLN 79 Cb 1.05 -1.65 -0.02 0.00 0.00 0.00 0.00 30.24 29.62 2k1g n GLN 79 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.06 178.25 2k1g n PHE 80 N -4.22 0.00 -1.09 1.08 3.72 -0.26 -4.96 117.46 111.73 2k1g n PHE 80 Ca -0.40 0.00 -0.03 0.00 -0.05 0.00 0.00 57.45 56.97 2k1g n PHE 80 Cb 0.80 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.33 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 1.37 0.57 3.54 1.37 0.00 0.52 -4.93 105.19 107.62 2k1g n GLY 81 Ca 0.08 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.73 4.37 -0.81 0.99 2.96 0.06 -4.81 118.68 120.72 2k1g s LEU 82 Ca 0.00 -0.14 -0.23 0.00 -0.22 0.00 0.00 54.13 53.54 2k1g s LEU 82 Cb 0.00 -2.79 0.07 0.00 0.50 0.00 0.00 46.19 43.96 2k1g s LEU 82 CO 0.00 -0.75 1.18 -1.61 -1.32 0.00 0.00 176.35 173.86 2k1g s GLU 83 N 2.88 3.33 0.26 1.98 2.02 -1.26 -1.37 118.70 126.54 2k1g s GLU 83 Ca 0.25 -0.92 -0.24 0.00 0.02 0.00 0.00 54.97 54.07 2k1g s GLU 83 Cb -0.14 -4.60 -0.09 0.00 0.10 0.00 0.00 34.13 29.40 2k1g s GLU 83 CO 0.18 -1.98 0.84 -0.51 0.02 0.00 0.00 175.26 173.81 2k1g s LEU 84 N 4.43 4.39 0.00 1.80 1.43 -1.26 -5.04 118.68 124.43 2k1g s LEU 84 Ca 0.33 1.66 -0.06 0.00 -1.03 0.00 0.00 54.13 55.03 2k1g s LEU 84 Cb -0.08 -3.74 0.09 0.00 0.03 0.00 0.00 46.19 42.49 2k1g s LEU 84 CO 0.03 0.02 0.28 -0.81 0.23 0.00 0.00 176.35 176.10 2k1g n PRO 85 N 0.81 -1.89 -0.07 1.29 -0.04 -1.26 -4.82 135.00 129.03 2k1g n PRO 85 Ca -0.01 -0.46 -0.12 0.00 -0.04 0.00 0.00 63.50 62.87 2k1g n PRO 85 Cb 0.50 -0.46 -0.14 0.00 -0.04 0.00 0.00 33.50 33.35 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 -2.57 0.68 -3.69 0.54 0.00 -1.26 -4.77 116.66 105.59 2k1g n ARG 86 Ca 0.04 0.15 -0.36 0.00 -0.00 0.00 0.00 57.85 57.68 2k1g n ARG 86 Cb 0.16 -1.63 -0.06 0.00 -0.00 0.00 0.00 32.46 30.93 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 -6.07 6.59 0.16 2.89 0.01 -1.26 -4.68 113.70 111.34 2k1g s SER 87 Ca -0.14 0.70 -0.18 0.00 1.31 0.00 0.00 55.95 57.64 2k1g s SER 87 Cb 0.07 -2.15 0.08 0.00 0.21 0.00 0.00 66.02 64.23 2k1g s SER 87 CO 0.78 0.32 1.67 0.74 0.41 0.00 0.00 173.24 177.15 2k1g h THR 88 N 3.52 0.58 -0.72 1.44 2.02 -1.91 -1.24 112.91 116.60 2k1g h THR 88 Ca -0.52 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.76 2k1g h THR 88 Cb 1.21 0.58 -0.08 0.00 -1.74 0.00 0.00 68.15 68.13 2k1g h THR 88 CO 0.62 0.00 0.35 1.88 0.37 0.00 0.00 175.52 178.74 2k1g h TYR 89 N -0.03 0.62 -0.29 3.16 0.05 -1.95 0.15 116.97 118.68 2k1g h TYR 89 Ca 0.18 0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.01 2k1g h TYR 89 Cb 0.31 -0.17 -0.02 0.00 1.01 0.00 0.00 36.73 37.85 2k1g h TYR 89 CO -0.35 0.20 0.16 0.93 -1.05 0.00 0.00 178.16 178.05 2k1g h GLU 90 N 0.58 0.31 -0.06 4.88 5.08 -1.74 -2.27 114.58 121.38 2k1g h GLU 90 Ca 0.36 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 2k1g h GLU 90 Cb 0.42 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2k1g h GLU 90 CO -0.29 0.21 -0.13 1.96 -1.00 0.00 0.00 179.01 179.75 2k1g h GLN 91 N 0.32 0.08 0.00 2.33 4.20 -0.10 -1.30 115.11 120.65 2k1g h GLN 91 Ca 0.12 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 2k1g h GLN 91 Cb 0.02 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 2k1g h GLN 91 CO -0.07 0.23 -0.06 1.96 -0.67 0.00 0.00 178.83 180.21 2k1g h GLN 92 N 0.08 0.00 0.00 1.46 4.20 -0.21 -2.29 115.11 118.36 2k1g h GLN 92 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 2k1g h GLN 92 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2k1g h GLN 92 CO 0.02 0.06 0.00 0.39 -0.67 0.00 0.00 178.83 178.63 2k1g n GLU 93 N -3.17 0.46 -4.22 1.46 1.02 -0.49 -4.73 120.64 110.97 2k1g n GLU 93 Ca 0.01 0.01 -0.34 0.00 -0.02 0.00 0.00 57.16 56.81 2k1g n GLU 93 Cb 0.36 -1.50 -0.11 0.00 -0.02 0.00 0.00 31.44 30.17 2k1g n GLU 93 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 2k1g s MET 94 N -2.52 3.68 0.02 3.49 -1.94 -0.86 -4.99 119.30 116.18 2k1g s MET 94 Ca 0.29 -0.42 0.00 0.00 -1.71 0.00 0.00 55.69 53.86 2k1g s MET 94 Cb 0.20 -3.02 0.00 0.00 2.01 0.00 0.00 34.83 34.01 2k1g s MET 94 CO 0.44 0.34 0.00 0.41 -0.01 0.00 0.00 175.02 176.21 2k1g n GLY 95 N 3.26 -3.23 3.92 -0.03 0.00 -1.26 -4.69 105.19 103.17 2k1g n GLY 95 Ca -0.17 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.87 3.23 0.59 1.61 -0.14 -1.25 -4.54 119.74 114.37 2k1g s LYS 96 Ca 0.00 -0.02 -0.15 0.00 -1.36 0.00 0.00 55.97 54.43 2k1g s LYS 96 Cb 0.00 -2.38 -0.04 0.00 -1.68 0.00 0.00 37.83 33.73 2k1g s LYS 96 CO 0.00 -0.38 1.04 -1.12 -0.76 0.00 0.00 175.35 174.13 2k1g s SER 97 N -4.19 5.90 0.00 2.83 0.01 -1.25 -0.67 113.70 116.33 2k1g s SER 97 Ca 0.50 1.75 -0.06 0.00 1.31 0.00 0.00 55.95 59.44 2k1g s SER 97 Cb -0.10 -2.52 -0.00 0.00 0.21 0.00 0.00 66.02 63.60 2k1g s SER 97 CO 0.43 -1.09 0.12 0.68 0.41 0.00 0.00 173.24 173.79 2k1g s VAL 98 N -2.55 0.08 0.21 3.43 -7.23 0.54 -4.82 120.40 110.06 2k1g s VAL 98 Ca 0.62 -0.68 0.03 0.00 -1.81 0.00 0.00 61.98 60.14 2k1g s VAL 98 Cb -0.15 -0.40 0.03 0.00 0.56 0.00 0.00 36.38 36.43 2k1g s VAL 98 CO 0.38 -0.37 0.28 -0.24 -0.31 0.00 0.00 175.10 174.83 2k1g n SER 99 N 1.55 0.81 -0.29 4.85 2.88 -1.26 -2.92 113.62 119.24 2k1g n SER 99 Ca -0.22 -1.56 -0.00 0.00 -1.33 0.00 0.00 58.87 55.75 2k1g n SER 99 Cb 0.56 -0.15 0.19 0.00 -0.75 0.00 0.00 64.21 64.06 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 1.13 0.00 -1.46 -0.00 -2.01 -0.60 114.38 111.44 2k1g h ARG 100 Ca -0.10 -0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.31 2k1g h ARG 100 Cb 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 29.97 30.17 2k1g h ARG 100 CO 0.14 0.75 0.00 -1.13 0.00 0.00 0.00 179.97 179.73 2k1g n SER 101 N -4.41 0.00 -0.24 7.04 3.41 -1.26 -3.17 113.62 114.99 2k1g n SER 101 Ca 0.10 -0.14 0.03 0.00 -0.26 0.00 0.00 58.87 58.59 2k1g n SER 101 Cb 0.03 -0.28 0.07 0.00 -0.26 0.00 0.00 64.21 63.76 2k1g n SER 101 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2k1g n ASN 102 N -1.28 2.39 -4.71 4.04 3.02 -0.29 -5.02 115.26 113.40 2k1g n ASN 102 Ca 0.14 -2.12 -0.42 0.00 -0.03 0.00 0.00 54.58 52.15 2k1g n ASN 102 Cb 0.24 -0.12 -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 -1.21 4.36 0.24 3.41 1.43 -0.83 -4.76 118.68 121.32 2k1g s LEU 103 Ca 0.11 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2k1g s LEU 103 Cb 0.07 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2k1g s LEU 103 CO 0.06 -0.54 0.16 -0.13 0.23 0.00 0.00 176.35 176.12 2k1g s ARG 104 N 1.19 1.37 -0.16 1.70 0.52 -1.26 -5.06 118.95 117.25 2k1g s ARG 104 Ca 0.61 -1.75 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 2k1g s ARG 104 Cb -0.32 0.17 -0.05 0.00 0.52 0.00 0.00 34.95 35.28 2k1g s ARG 104 CO 0.29 -0.43 1.86 0.99 0.02 0.00 0.00 175.30 178.02 2k1g s THR 105 N -3.91 3.36 0.00 0.02 2.01 -1.26 -2.49 115.64 113.36 2k1g s THR 105 Ca 0.39 0.40 0.00 0.00 0.31 0.00 0.00 61.69 62.79 2k1g s THR 105 Cb 0.06 -3.36 0.00 0.00 0.01 0.00 0.00 72.50 69.21 2k1g s THR 105 CO 0.16 -0.15 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2k1g n GLY 106 N 4.91 0.91 3.73 4.40 0.00 0.08 -4.92 105.19 114.30 2k1g n GLY 106 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 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 -1.28 7.49 -0.27 1.61 1.01 -1.04 -4.45 116.67 119.74 2k1g s ASP 107 Ca 0.00 1.78 -0.21 0.00 0.71 0.00 0.00 52.55 54.83 2k1g s ASP 107 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2k1g s ASP 107 CO 0.00 -0.09 0.65 -0.76 0.21 0.00 0.00 175.17 175.18 2k1g s LEU 108 N 0.10 4.08 -0.16 1.23 1.43 0.57 -1.44 118.68 124.47 2k1g s LEU 108 Ca 0.47 0.67 -0.14 0.00 -1.03 0.00 0.00 54.13 54.10 2k1g s LEU 108 Cb -0.23 -2.88 -0.04 0.00 0.03 0.00 0.00 46.19 43.07 2k1g s LEU 108 CO 0.30 -0.41 0.32 0.68 0.23 0.00 0.00 176.35 177.47 2k1g s VAL 109 N 2.57 5.28 -0.10 -1.59 -7.23 -0.30 -0.38 120.40 118.65 2k1g s VAL 109 Ca 0.27 0.60 -0.07 0.00 -1.81 0.00 0.00 61.98 60.97 2k1g s VAL 109 Cb -0.15 -3.66 -0.04 0.00 0.56 0.00 0.00 36.38 33.09 2k1g s VAL 109 CO 0.09 0.36 0.16 -0.76 -0.31 0.00 0.00 175.10 174.64 2k1g s LEU 110 N 0.62 4.39 -0.01 1.32 1.43 0.12 -1.21 118.68 125.35 2k1g s LEU 110 Ca 0.17 0.49 0.04 0.00 -1.03 0.00 0.00 54.13 53.80 2k1g s LEU 110 Cb -0.13 -2.16 -0.01 0.00 0.03 0.00 0.00 46.19 43.91 2k1g s LEU 110 CO 0.05 0.39 -0.14 -0.36 0.23 0.00 0.00 176.35 176.52 2k1g s PHE 111 N -1.07 1.23 -0.95 0.29 0.08 0.77 -0.56 117.98 117.77 2k1g s PHE 111 Ca 0.17 -0.23 -0.20 0.00 0.12 0.00 0.00 56.93 56.78 2k1g s PHE 111 Cb -0.12 -0.79 0.11 0.00 -0.57 0.00 0.00 43.02 41.64 2k1g s PHE 111 CO 0.06 -0.02 1.22 1.03 -0.10 0.00 0.00 175.22 177.41 2k1g s ARG 112 N -0.34 3.59 -0.13 0.44 0.52 0.16 -1.08 118.95 122.11 2k1g s ARG 112 Ca 0.05 -1.56 -0.04 0.00 -0.52 0.00 0.00 55.73 53.66 2k1g s ARG 112 Cb -0.05 -5.04 -0.03 0.00 0.52 0.00 0.00 34.95 30.35 2k1g s ARG 112 CO -0.01 -1.90 0.01 0.00 0.02 0.00 0.00 175.30 173.43 2k1g s ALA 113 N 3.37 3.27 -0.36 2.13 0.00 -0.20 -4.85 121.76 125.12 2k1g s ALA 113 Ca 0.36 -0.79 0.00 0.00 0.00 0.00 0.00 51.96 51.54 2k1g s ALA 113 Cb -0.04 -1.63 0.00 0.00 0.00 0.00 0.00 23.12 21.46 2k1g s ALA 113 CO -0.09 0.40 0.69 0.41 0.00 0.00 0.00 175.76 177.16 2k1g n GLY 114 N 2.82 1.53 0.00 0.00 0.00 -1.26 -0.44 105.19 107.84 2k1g n GLY 114 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2k1g n GLY 114 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k1g n SER 115 N 0.40 1.49 -0.05 1.61 7.64 -1.26 -4.87 113.62 118.57 2k1g n SER 115 Ca 0.00 0.00 0.01 0.00 1.01 0.00 0.00 58.87 59.89 2k1g n SER 115 Cb 0.34 0.03 0.01 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.73 0.10 0.00 0.44 -2.24 -1.19 -5.06 114.28 104.61 2k1g n THR 116 Ca 0.00 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.23 2k1g n THR 116 Cb 0.18 0.97 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2k1g n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1g n GLY 117 N 0.03 1.38 3.20 3.38 0.00 0.42 -4.47 105.19 109.12 2k1g n GLY 117 Ca 0.01 0.31 -0.40 0.00 0.00 0.00 0.00 46.02 45.94 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 2.42 0.07 1.61 3.00 -1.26 -1.03 118.95 123.75 2k1g s ARG 118 Ca 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 55.73 53.82 2k1g s ARG 118 Cb 0.00 -3.89 -0.06 0.00 0.00 0.00 0.00 34.95 31.00 2k1g s ARG 118 CO 0.00 -1.18 0.45 -1.58 0.00 0.00 0.00 175.30 172.99 2k1g s HIS 119 N 1.34 3.65 -0.03 -0.53 2.46 -0.24 -4.89 115.29 117.05 2k1g s HIS 119 Ca 0.06 0.95 0.05 0.00 0.47 0.00 0.00 55.06 56.59 2k1g s HIS 119 Cb -0.26 -2.27 -0.01 0.00 -0.13 0.00 0.00 32.58 29.91 2k1g s HIS 119 CO -0.01 0.55 -0.16 0.54 -2.47 0.00 0.00 174.74 173.18 2k1g s VAL 120 N -1.29 1.34 0.11 0.89 0.11 -1.26 -0.17 120.40 120.13 2k1g s VAL 120 Ca 0.31 -0.69 0.05 0.00 -2.93 0.00 0.00 61.98 58.71 2k1g s VAL 120 Cb -0.15 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.53 2k1g s VAL 120 CO 0.17 0.38 -0.13 -0.83 -3.33 0.00 0.00 175.10 171.36 2k1g s GLY 121 N -0.16 0.97 -0.46 6.54 0.00 -0.35 -4.71 107.32 109.16 2k1g s GLY 121 Ca 0.01 -1.22 -0.22 0.00 0.00 0.00 0.00 44.72 43.29 2k1g s GLY 121 CO 0.01 -1.28 0.72 -0.42 0.00 0.00 0.00 173.10 172.13 2k1g s ILE 122 N -2.12 4.73 -0.33 0.90 1.01 0.06 -1.15 121.20 124.30 2k1g s ILE 122 Ca 0.06 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 60.63 2k1g s ILE 122 Cb -0.05 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.14 2k1g s ILE 122 CO 0.02 -0.70 1.34 -0.47 0.00 0.00 0.00 174.94 175.13 2k1g s TYR 123 N 3.07 2.60 -0.15 3.97 5.04 -0.52 -1.42 117.35 129.93 2k1g s TYR 123 Ca 0.25 0.81 0.10 0.00 -2.44 0.00 0.00 57.07 55.79 2k1g s TYR 123 Cb -0.14 -4.01 -0.23 0.00 0.35 0.00 0.00 41.96 37.93 2k1g s TYR 123 CO 0.20 -1.82 0.25 0.44 -1.34 0.00 0.00 175.55 173.29 2k1g n ILE 124 N 6.43 1.53 0.00 3.14 -5.35 -0.90 -0.74 119.36 123.47 2k1g n ILE 124 Ca 0.15 -0.77 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 2k1g n ILE 124 Cb 0.47 -0.97 0.00 0.00 -1.74 0.00 0.00 39.64 37.39 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 1.80 3.45 3.59 3.28 0.00 -1.06 -4.41 105.19 111.84 2k1g n GLY 125 Ca -0.30 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.04 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 -5.20 -0.97 1.61 5.15 -1.26 -1.27 115.26 113.32 2k1g n ASN 126 Ca 0.00 -0.58 -0.09 0.00 -0.60 0.00 0.00 54.58 53.31 2k1g n ASN 126 Cb 0.00 -4.96 -0.04 0.00 -0.53 0.00 0.00 39.78 34.26 2k1g n ASN 126 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2k1g n ASN 127 N -3.03 -3.26 -4.67 1.20 0.23 -1.26 -4.88 115.26 99.59 2k1g n ASN 127 Ca -0.06 0.22 -0.32 0.00 -0.53 0.00 0.00 54.58 53.88 2k1g n ASN 127 Cb 0.59 -2.80 -0.09 0.00 -2.08 0.00 0.00 39.78 35.40 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -0.93 0.00 0.00 177.26 175.23 2k1g s GLN 128 N -2.50 2.70 -0.01 -3.83 -0.21 -0.40 0.03 119.66 115.45 2k1g s GLN 128 Ca 0.00 -0.67 -0.14 0.00 0.02 0.00 0.00 55.36 54.57 2k1g s GLN 128 Cb 0.00 -2.62 0.02 0.00 1.00 0.00 0.00 33.01 31.41 2k1g s GLN 128 CO 0.00 0.61 0.29 -0.59 -2.12 0.00 0.00 175.29 173.47 2k1g s PHE 129 N -1.11 -0.14 -0.08 0.91 -0.71 -0.13 -2.11 117.98 114.61 2k1g s PHE 129 Ca 0.20 0.19 -0.03 0.00 -1.04 0.00 0.00 56.93 56.25 2k1g s PHE 129 Cb -0.11 0.08 -0.04 0.00 -1.21 0.00 0.00 43.02 41.74 2k1g s PHE 129 CO 0.11 -0.39 0.05 0.54 -1.34 0.00 0.00 175.22 174.20 2k1g s VAL 130 N -1.45 4.73 0.00 -2.49 0.11 -0.51 -0.77 120.40 120.03 2k1g s VAL 130 Ca -0.13 -0.13 0.00 0.00 -2.93 0.00 0.00 61.98 58.79 2k1g s VAL 130 Cb -0.05 -3.04 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 2k1g s VAL 130 CO 0.03 0.57 0.00 0.00 -3.33 0.00 0.00 175.10 172.38 2k1g n HIS 131 N 1.96 -0.58 -3.77 1.54 1.44 -0.22 -0.76 115.22 114.82 2k1g n HIS 131 Ca -0.18 0.00 -0.29 0.00 -2.01 0.00 0.00 57.72 55.24 2k1g n HIS 131 Cb 0.54 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.49 2k1g n HIS 131 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2k1g s ALA 132 N -1.00 1.37 0.49 1.59 0.00 -1.26 -0.73 121.76 122.23 2k1g s ALA 132 Ca 0.00 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 50.65 2k1g s ALA 132 Cb 0.00 -1.39 -0.07 0.00 0.00 0.00 0.00 23.12 21.66 2k1g s ALA 132 CO 0.00 -1.35 0.92 -1.12 0.00 0.00 0.00 175.76 174.21 2k1g s SER 133 N 1.69 6.55 0.20 0.00 0.01 0.78 -4.19 113.70 118.73 2k1g s SER 133 Ca 0.02 1.42 -0.10 0.00 1.31 0.00 0.00 55.95 58.60 2k1g s SER 133 Cb -0.17 -2.45 0.27 0.00 0.21 0.00 0.00 66.02 63.88 2k1g s SER 133 CO -0.14 -0.56 1.72 0.71 0.41 0.00 0.00 173.24 175.38 2k1g h THR 134 N 0.83 0.70 0.00 1.44 1.35 -1.98 -0.34 112.91 114.91 2k1g h THR 134 Ca -0.47 -0.10 -0.42 0.00 -0.55 0.00 0.00 66.41 64.87 2k1g h THR 134 Cb 1.19 0.37 -0.07 0.00 -1.73 0.00 0.00 68.15 67.91 2k1g h THR 134 CO 0.62 0.06 -2.48 -1.54 -0.25 0.00 0.00 175.52 171.93 2k1g n SER 135 N -5.08 1.97 -0.17 5.36 3.41 -1.26 -4.56 113.62 113.29 2k1g n SER 135 Ca 0.08 0.09 -0.07 0.00 -0.26 0.00 0.00 58.87 58.71 2k1g n SER 135 Cb 0.29 -0.59 0.08 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.46 0.93 0.00 4.04 0.02 -1.98 -3.42 113.55 112.69 2k1g h SER 136 Ca -0.62 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.08 2k1g h SER 136 Cb 1.75 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 64.04 2k1g h SER 136 CO -0.24 0.99 0.00 0.61 -1.14 0.00 0.00 176.83 177.05 2k1g n GLY 137 N -0.51 0.17 3.61 -3.77 0.00 -0.14 -4.66 105.19 99.88 2k1g n GLY 137 Ca 0.03 -1.46 -0.43 0.00 0.00 0.00 0.00 46.02 44.16 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 3.59 0.34 1.61 1.01 -0.76 -0.16 120.40 126.04 2k1g s VAL 138 Ca 0.00 0.62 0.07 0.00 0.00 0.00 0.00 61.98 62.67 2k1g s VAL 138 Cb 0.00 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2k1g s VAL 138 CO 0.00 -0.42 0.32 2.30 0.00 0.00 0.00 175.10 177.30 2k1g n ILE 139 N 7.09 0.00 -5.25 2.22 -5.35 0.09 -4.53 119.36 113.63 2k1g n ILE 139 Ca 0.21 -2.41 -0.31 0.00 -0.27 0.00 0.00 62.75 59.97 2k1g n ILE 139 Cb 0.46 1.23 -0.16 0.00 -1.74 0.00 0.00 39.64 39.44 2k1g n ILE 139 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2k1g s ILE 140 N -3.31 2.14 0.15 7.28 1.01 -1.26 -1.05 121.20 126.16 2k1g s ILE 140 Ca 0.39 -1.05 0.05 0.00 0.00 0.00 0.00 60.65 60.05 2k1g s ILE 140 Cb 0.02 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 2k1g s ILE 140 CO 0.28 0.57 -0.11 -0.44 0.00 0.00 0.00 174.94 175.24 2k1g s SER 141 N -0.34 1.95 0.09 3.58 0.01 0.05 -4.96 113.70 114.07 2k1g s SER 141 Ca 0.02 -0.98 0.08 0.00 1.31 0.00 0.00 55.95 56.38 2k1g s SER 141 Cb -0.12 -0.04 -0.04 0.00 0.21 0.00 0.00 66.02 66.03 2k1g s SER 141 CO 0.02 -0.27 -0.16 -0.44 0.41 0.00 0.00 173.24 172.80 2k1g s SER 142 N -3.07 4.02 0.53 2.44 0.01 -1.26 -0.95 113.70 115.42 2k1g s SER 142 Ca 0.16 -0.46 0.31 0.00 1.31 0.00 0.00 55.95 57.26 2k1g s SER 142 Cb 0.01 -0.66 1.42 0.00 0.21 0.00 0.00 66.02 67.00 2k1g s SER 142 CO 0.02 0.20 2.02 0.24 0.41 0.00 0.00 173.24 176.14 2k1g h MET 143 N 3.96 0.00 0.00 12.44 2.86 -0.74 -2.08 114.93 131.36 2k1g h MET 143 Ca -0.49 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.15 2k1g h MET 143 Cb 1.16 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.82 2k1g h MET 143 CO 0.48 0.10 -0.02 -0.91 1.06 0.00 0.00 176.91 177.62 2k1g h ASN 144 N 0.00 0.00 -3.14 1.22 -0.26 -1.96 -3.29 115.58 108.15 2k1g h ASN 144 Ca -0.00 0.00 -0.53 0.00 -0.56 0.00 0.00 56.30 55.21 2k1g h ASN 144 Cb 0.45 0.00 0.04 0.00 -1.06 0.00 0.00 38.32 37.75 2k1g h ASN 144 CO 0.01 0.02 0.75 -1.61 -1.06 0.00 0.00 177.43 175.55 2k1g s GLU 145 N -3.88 4.30 0.16 0.81 0.41 -0.78 -4.89 118.70 114.82 2k1g s GLU 145 Ca -0.01 2.20 -0.16 0.00 -0.41 0.00 0.00 54.97 56.58 2k1g s GLU 145 Cb 0.11 -3.18 0.08 0.00 -1.78 0.00 0.00 34.13 29.36 2k1g s GLU 145 CO 0.51 -0.43 1.71 -1.00 -0.49 0.00 0.00 175.26 175.55 2k1g h PRO 146 N 6.03 0.12 -0.30 0.39 0.13 -1.89 0.19 132.00 136.67 2k1g h PRO 146 Ca -0.44 -0.01 0.04 0.00 -0.87 0.00 0.00 66.00 64.73 2k1g h PRO 146 Cb 1.21 -0.03 -0.04 0.00 0.13 0.00 0.00 31.00 32.28 2k1g h PRO 146 CO 0.83 0.08 0.06 -0.92 -0.23 0.00 0.00 178.00 177.82 2k1g h TYR 147 N 0.12 0.11 -0.06 1.56 3.20 -1.95 -2.65 116.97 117.29 2k1g h TYR 147 Ca 0.18 0.02 -0.25 0.00 3.14 0.00 0.00 58.73 61.82 2k1g h TYR 147 Cb 0.24 -0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.52 2k1g h TYR 147 CO -0.24 0.03 -0.93 -1.49 -1.64 0.00 0.00 178.16 173.89 2k1g h TRP 148 N 0.17 1.06 0.09 -3.82 4.06 -1.77 -2.60 115.95 113.15 2k1g h TRP 148 Ca 0.14 -0.53 0.02 0.00 2.06 0.00 0.00 58.89 60.58 2k1g h TRP 148 Cb 0.15 -0.14 -0.04 0.00 -1.00 0.00 0.00 29.16 28.12 2k1g h TRP 148 CO -0.17 1.37 -0.34 -0.22 -3.56 0.00 0.00 178.44 175.52 2k1g h LYS 149 N 0.45 -0.53 0.00 0.49 3.64 -0.90 0.09 116.57 119.81 2k1g h LYS 149 Ca -0.10 0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 2k1g h LYS 149 Cb 1.58 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 2k1g h LYS 149 CO 0.19 -0.35 -0.61 1.57 -2.27 0.00 0.00 179.45 177.97 2k1g h LYS 150 N -0.55 0.00 -0.00 1.90 2.10 -1.55 -3.03 116.57 115.43 2k1g h LYS 150 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2k1g h LYS 150 Cb 0.60 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.93 2k1g h LYS 150 CO -0.22 0.61 -0.26 0.54 -2.00 0.00 0.00 179.45 178.12 2k1g n ARG 151 N -3.63 0.36 -1.67 0.07 3.00 -0.98 -4.89 116.66 108.93 2k1g n ARG 151 Ca -0.01 -0.17 -0.42 0.00 -0.01 0.00 0.00 57.85 57.25 2k1g n ARG 151 Cb 0.65 -1.50 -0.03 0.00 0.00 0.00 0.00 32.46 31.58 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.63 178.61 2k1g n TYR 152 N -1.17 2.56 -0.00 -1.55 9.36 0.01 -0.67 117.16 125.69 2k1g n TYR 152 Ca 0.10 -0.33 -0.00 0.00 3.32 0.00 0.00 57.90 60.98 2k1g n TYR 152 Cb 0.32 -2.79 -0.00 0.00 -0.63 0.00 0.00 39.34 36.24 2k1g n TYR 152 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2k1g n ASN 153 N 7.04 0.08 -3.60 2.98 5.15 0.28 -4.91 115.26 122.28 2k1g n ASN 153 Ca 0.19 0.15 -0.12 0.00 -0.60 0.00 0.00 54.58 54.20 2k1g n ASN 153 Cb 0.40 -0.51 -0.06 0.00 -0.53 0.00 0.00 39.78 39.07 2k1g n ASN 153 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2k1g s GLU 154 N -1.06 0.71 0.30 1.20 -1.05 -1.21 -5.00 118.70 112.59 2k1g s GLU 154 Ca -0.01 0.53 0.06 0.00 -0.15 0.00 0.00 54.97 55.40 2k1g s GLU 154 Cb 0.00 0.34 -0.02 0.00 -0.44 0.00 0.00 34.13 34.02 2k1g s GLU 154 CO 0.01 -0.15 0.43 0.00 0.95 0.00 0.00 175.26 176.50 2k1g s ALA 155 N -0.31 4.09 -0.02 -0.84 0.00 -1.15 -0.70 121.76 122.84 2k1g s ALA 155 Ca -0.01 -1.35 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 2k1g s ALA 155 Cb -0.03 -1.71 0.00 0.00 0.00 0.00 0.00 23.12 21.38 2k1g s ALA 155 CO 0.00 0.08 0.06 1.03 0.00 0.00 0.00 175.76 176.94 2k1g s ARG 156 N -4.10 0.12 -0.70 0.00 0.52 0.49 -0.34 118.95 114.94 2k1g s ARG 156 Ca 0.40 0.00 -0.16 0.00 -0.52 0.00 0.00 55.73 55.45 2k1g s ARG 156 Cb -0.09 0.05 0.16 0.00 0.52 0.00 0.00 34.95 35.59 2k1g s ARG 156 CO 0.30 -0.02 0.72 -0.98 0.02 0.00 0.00 175.30 175.35 2k1g s ARG 157 N -0.18 3.29 0.15 3.54 1.70 0.16 -0.32 118.95 127.29 2k1g s ARG 157 Ca -0.02 -1.89 0.24 0.00 -0.47 0.00 0.00 55.73 53.59 2k1g s ARG 157 Cb -0.02 -4.41 0.41 0.00 -0.57 0.00 0.00 34.95 30.37 2k1g s ARG 157 CO 0.00 -1.42 1.40 -0.39 -1.08 0.00 0.00 175.30 173.81 2k1g h VAL 158 N 5.49 0.00 -3.37 4.99 -1.51 -1.84 -3.31 116.25 116.71 2k1g h VAL 158 Ca -0.10 -0.52 -0.59 0.00 -1.23 0.00 0.00 66.70 64.26 2k1g h VAL 158 Cb 1.07 1.18 -0.10 0.00 -2.13 0.00 0.00 31.29 31.31 2k1g h VAL 158 CO 0.96 0.00 -0.23 -0.76 -1.23 0.00 0.00 177.57 176.31 2k1g s LEU 159 N -4.37 4.22 -0.98 4.19 1.43 -1.26 -4.83 118.68 117.07 2k1g s LEU 159 Ca 0.07 0.59 -0.25 0.00 -1.03 0.00 0.00 54.13 53.52 2k1g s LEU 159 Cb 0.13 -2.51 -0.10 0.00 0.03 0.00 0.00 46.19 43.74 2k1g s LEU 159 CO 0.70 0.01 2.04 -0.55 0.23 0.00 0.00 176.35 178.78 2k1g s SER 160 N 0.72 4.68 0.14 2.29 0.15 -1.26 -4.84 113.70 115.58 2k1g s SER 160 Ca 0.20 -0.86 -0.24 0.00 0.70 0.00 0.00 55.95 55.75 2k1g s SER 160 Cb -0.14 -2.57 0.07 0.00 -1.71 0.00 0.00 66.02 61.67 2k1g s SER 160 CO 0.07 -3.29 0.64 0.00 1.20 0.00 0.00 173.24 171.86 2k1g s ARG 161 N 7.36 1.24 -1.37 5.44 1.04 -1.26 -4.95 118.95 126.45 2k1g s ARG 161 Ca 0.75 -0.46 0.00 0.00 -1.04 0.00 0.00 55.73 54.97 2k1g s ARG 161 Cb -0.06 0.56 0.00 0.00 -2.04 0.00 0.00 34.95 33.41 2k1g s ARG 161 CO 0.07 -0.54 0.00 0.45 -0.04 0.00 0.00 175.30 175.24 2k1g n SER 162 N -0.37 -4.63 -1.64 -2.89 2.88 -1.26 -4.99 113.62 100.74 2k1g n SER 162 Ca -0.16 0.08 -0.03 0.00 -1.33 0.00 0.00 58.87 57.43 2k1g n SER 162 Cb 0.64 -3.69 -0.01 0.00 -0.75 0.00 0.00 64.21 60.40 2k1g n SER 162 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2k1g n LEU 163 N -2.06 0.00 0.00 2.46 4.77 -1.26 -5.26 117.00 115.65 2k1g n LEU 163 Ca -0.17 -0.43 0.02 0.00 -0.03 0.00 0.00 56.01 55.39 2k1g n LEU 163 Cb 0.60 0.17 0.11 0.00 -2.33 0.00 0.00 43.42 41.98 2k1g n LEU 163 CO 0.21 -0.07 0.35 -1.84 -1.33 0.00 0.00 177.39 174.72