#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 0.31 -0.43 6.12 4.22 -1.26 -5.14 114.94 118.77 2k1g s ASN 37 Ca 0.00 -0.89 -0.12 0.00 -2.14 0.00 0.00 52.86 49.71 2k1g s ASN 37 Cb 0.00 0.27 0.07 0.00 1.28 0.00 0.00 41.25 42.87 2k1g s ASN 37 CO 0.00 -0.68 0.30 -0.69 -2.04 0.00 0.00 177.10 173.99 2k1g s VAL 38 N -3.92 4.63 -0.54 3.54 1.01 -1.26 -5.05 120.40 118.81 2k1g s VAL 38 Ca 0.09 -1.19 -0.26 0.00 0.00 0.00 0.00 61.98 60.61 2k1g s VAL 38 Cb 0.07 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.71 2k1g s VAL 38 CO -0.08 -0.48 1.06 -1.81 0.00 0.00 0.00 175.10 173.78 2k1g s ASP 39 N 2.17 6.44 0.24 3.32 1.11 -1.26 -4.92 116.67 123.76 2k1g s ASP 39 Ca 0.03 -0.01 -0.06 0.00 0.18 0.00 0.00 52.55 52.69 2k1g s ASP 39 Cb -0.23 -2.50 0.43 0.00 1.07 0.00 0.00 42.92 41.70 2k1g s ASP 39 CO 0.04 -1.30 1.70 0.58 1.18 0.00 0.00 175.17 177.37 2k1g h VAL 40 N 6.11 0.58 -0.28 -1.27 2.07 -1.96 -0.49 116.25 121.00 2k1g h VAL 40 Ca -0.25 -0.11 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2k1g h VAL 40 Cb 1.07 0.23 -0.06 0.00 -1.52 0.00 0.00 31.29 31.01 2k1g h VAL 40 CO 1.12 0.06 -0.12 0.50 0.02 0.00 0.00 177.57 179.15 2k1g h LYS 41 N 0.32 -0.07 -0.62 1.57 3.64 -1.91 -1.55 116.57 117.94 2k1g h LYS 41 Ca 0.40 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.80 2k1g h LYS 41 Cb 0.64 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.44 2k1g h LYS 41 CO -0.46 -0.05 0.40 1.03 -2.27 0.00 0.00 179.45 178.10 2k1g h SER 42 N -0.07 0.67 0.20 4.20 0.87 -1.54 -0.68 113.55 117.20 2k1g h SER 42 Ca 0.14 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2k1g h SER 42 Cb 0.29 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2k1g h SER 42 CO -0.33 0.48 -0.22 0.03 -0.53 0.00 0.00 176.83 176.26 2k1g h ARG 43 N 0.80 -0.45 -0.95 2.24 2.47 -0.82 -0.56 114.38 117.11 2k1g h ARG 43 Ca 0.24 0.03 0.05 0.00 -1.26 0.00 0.00 59.98 59.04 2k1g h ARG 43 Cb -0.04 0.10 -0.06 0.00 -1.65 0.00 0.00 29.97 28.32 2k1g h ARG 43 CO -0.07 -0.30 0.62 0.82 0.56 0.00 0.00 179.97 181.60 2k1g h ILE 44 N -0.46 1.12 0.00 2.04 2.04 -1.07 -0.83 117.51 120.34 2k1g h ILE 44 Ca 0.00 -0.39 -0.05 0.00 1.00 0.00 0.00 64.86 65.42 2k1g h ILE 44 Cb 0.44 -0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2k1g h ILE 44 CO -0.06 0.21 -0.26 0.24 0.00 0.00 0.00 178.15 178.28 2k1g h MET 45 N 1.15 0.00 -0.26 2.37 2.86 -0.74 -0.44 114.93 119.86 2k1g h MET 45 Ca 0.39 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 58.02 2k1g h MET 45 Cb 0.10 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2k1g h MET 45 CO -0.14 0.26 0.09 0.22 1.06 0.00 0.00 176.91 178.40 2k1g h ASP 46 N 0.00 0.37 -0.38 1.22 1.82 0.36 -0.14 116.42 119.67 2k1g h ASP 46 Ca -0.00 -0.18 -0.03 0.00 -0.39 0.00 0.00 57.03 56.42 2k1g h ASP 46 Cb 0.51 -0.10 -0.02 0.00 0.68 0.00 0.00 39.33 40.41 2k1g h ASP 46 CO 0.03 0.46 0.13 -0.61 -1.61 0.00 0.00 179.24 177.64 2k1g h GLN 47 N 0.27 0.59 -0.84 0.28 5.75 -1.08 -2.69 115.11 117.39 2k1g h GLN 47 Ca 0.09 -0.12 0.08 0.00 -0.15 0.00 0.00 58.65 58.54 2k1g h GLN 47 Cb 0.21 -0.09 -0.07 0.00 1.07 0.00 0.00 27.48 28.60 2k1g h GLN 47 CO -0.01 0.59 0.50 -0.92 -2.65 0.00 0.00 178.83 176.35 2k1g h TYR 48 N 0.47 0.92 -0.53 3.99 3.20 -1.01 -1.16 116.97 122.85 2k1g h TYR 48 Ca 0.12 0.03 0.08 0.00 3.14 0.00 0.00 58.73 62.11 2k1g h TYR 48 Cb 0.25 -0.29 -0.03 0.00 1.54 0.00 0.00 36.73 38.20 2k1g h TYR 48 CO 0.01 0.42 0.36 0.00 -1.64 0.00 0.00 178.16 177.31 2k1g h ALA 49 N 1.43 2.01 0.00 1.82 0.00 -0.69 0.21 119.26 124.04 2k1g h ALA 49 Ca 0.38 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 55.14 2k1g h ALA 49 Cb 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2k1g h ALA 49 CO -0.21 -0.12 -0.77 0.22 0.00 0.00 0.00 179.25 178.38 2k1g h ASP 50 N 0.37 0.00 -0.36 0.00 3.58 -1.10 -3.33 116.42 115.59 2k1g h ASP 50 Ca 0.24 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.67 2k1g h ASP 50 Cb 0.46 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 2k1g h ASP 50 CO -0.06 0.61 0.01 0.79 -2.88 0.00 0.00 179.24 177.71 2k1g n TRP 51 N -3.18 1.28 -1.55 0.28 7.02 -0.23 -5.00 117.44 116.04 2k1g n TRP 51 Ca -0.01 -0.90 -0.37 0.00 -1.02 0.00 0.00 57.50 55.20 2k1g n TRP 51 Cb 0.79 -0.39 -0.03 0.00 -2.42 0.00 0.00 31.31 29.26 2k1g n TRP 51 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2k1g n LYS 52 N -0.28 1.15 -2.39 -0.99 5.02 0.57 -2.69 118.16 118.55 2k1g n LYS 52 Ca 0.24 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.61 2k1g n LYS 52 Cb 0.99 -3.37 0.00 0.00 -0.02 0.00 0.00 35.03 32.63 2k1g n LYS 52 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2k1g n GLY 53 N 5.99 0.90 3.77 0.72 0.00 -1.09 -4.99 105.19 110.50 2k1g n GLY 53 Ca 0.37 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.87 3.23 0.43 1.61 1.01 -1.10 -4.73 120.40 117.98 2k1g s VAL 54 Ca 0.00 1.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.75 2k1g s VAL 54 Cb 0.00 -3.57 -0.10 0.00 0.00 0.00 0.00 36.38 32.71 2k1g s VAL 54 CO 0.00 0.09 1.25 0.54 0.00 0.00 0.00 175.10 176.98 2k1g n ARG 55 N 0.09 1.88 -2.80 2.72 5.12 -1.26 -3.11 116.66 119.29 2k1g n ARG 55 Ca 0.04 0.67 -0.42 0.00 -1.93 0.00 0.00 57.85 56.21 2k1g n ARG 55 Cb 0.47 -2.36 -0.04 0.00 -1.16 0.00 0.00 32.46 29.37 2k1g n ARG 55 CO 0.00 0.00 0.00 -0.47 -1.93 0.00 0.00 177.63 175.23 2k1g s TYR 56 N -1.21 3.17 -0.28 -1.55 6.14 -1.26 -0.44 117.35 121.92 2k1g s TYR 56 Ca 0.61 0.97 0.02 0.00 0.64 0.00 0.00 57.07 59.32 2k1g s TYR 56 Cb -0.51 -3.45 0.08 0.00 0.42 0.00 0.00 41.96 38.50 2k1g s TYR 56 CO 0.58 -0.67 -0.03 0.50 0.64 0.00 0.00 175.55 176.57 2k1g s ARG 57 N 3.28 1.71 -0.20 4.97 3.52 -0.39 -4.73 118.95 127.11 2k1g s ARG 57 Ca 0.38 -1.42 -0.29 0.00 -0.13 0.00 0.00 55.73 54.27 2k1g s ARG 57 Cb -0.13 -2.85 -0.02 0.00 -1.56 0.00 0.00 34.95 30.39 2k1g s ARG 57 CO 0.14 -0.73 1.47 -1.17 -0.81 0.00 0.00 175.30 174.20 2k1g s LEU 58 N 1.15 4.02 0.00 -0.88 1.98 -1.26 -2.67 118.68 121.02 2k1g s LEU 58 Ca -0.00 1.64 0.00 0.00 -2.89 0.00 0.00 54.13 52.88 2k1g s LEU 58 Cb -0.19 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.12 2k1g s LEU 58 CO -0.08 -1.06 0.00 0.61 -1.89 0.00 0.00 176.35 173.93 2k1g n GLY 59 N 4.27 0.73 3.15 7.98 0.00 -1.26 -5.05 105.19 115.01 2k1g n GLY 59 Ca 0.17 -0.69 0.04 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.72 -1.01 -0.38 -0.02 0.00 -1.09 -5.11 107.32 96.99 2k1g s GLY 60 Ca 0.00 1.73 -0.16 0.00 0.00 0.00 0.00 44.72 46.29 2k1g s GLY 60 CO 0.00 3.54 0.39 -1.35 0.00 0.00 0.00 173.10 175.68 2k1g s SER 61 N 2.87 6.18 0.07 1.64 1.04 -1.26 -3.46 113.70 120.77 2k1g s SER 61 Ca 0.16 -0.50 -0.27 0.00 0.48 0.00 0.00 55.95 55.82 2k1g s SER 61 Cb -0.13 -2.20 0.09 0.00 0.10 0.00 0.00 66.02 63.88 2k1g s SER 61 CO -0.21 -0.46 1.15 0.28 0.98 0.00 0.00 173.24 174.98 2k1g s THR 62 N 2.03 0.00 -0.52 2.02 -1.32 0.21 -4.97 115.64 113.10 2k1g s THR 62 Ca 0.11 -0.41 0.25 0.00 -1.21 0.00 0.00 61.69 60.43 2k1g s THR 62 Cb -0.17 -2.29 0.27 0.00 -1.51 0.00 0.00 72.50 68.79 2k1g s THR 62 CO 0.12 0.00 1.74 0.29 -2.21 0.00 0.00 174.62 174.56 2k1g n LYS 63 N -0.58 0.23 -0.03 7.08 5.02 -1.26 -1.58 118.16 127.04 2k1g n LYS 63 Ca -0.05 0.38 0.09 0.00 -2.02 0.00 0.00 58.31 56.71 2k1g n LYS 63 Cb 0.61 -1.88 0.47 0.00 -0.02 0.00 0.00 35.03 34.21 2k1g n LYS 63 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2k1g n LYS 64 N -2.29 1.23 0.00 1.97 4.01 -1.26 -4.72 118.16 117.10 2k1g n LYS 64 Ca 0.03 -0.34 0.00 0.00 -0.51 0.00 0.00 58.31 57.48 2k1g n LYS 64 Cb 0.29 -1.31 0.00 0.00 -0.51 0.00 0.00 35.03 33.50 2k1g n LYS 64 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2k1g n GLY 65 N 0.88 4.25 3.28 0.72 0.00 -0.61 -4.82 105.19 108.90 2k1g n GLY 65 Ca 0.14 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.25 0.06 0.71 -0.61 2.07 0.41 -0.62 121.20 122.98 2k1g s ILE 66 Ca 0.00 -0.52 -0.01 0.00 -1.41 0.00 0.00 60.65 58.71 2k1g s ILE 66 Cb 0.00 -0.85 0.12 0.00 0.13 0.00 0.00 42.46 41.87 2k1g s ILE 66 CO 0.00 -0.29 0.98 1.51 -1.91 0.00 0.00 174.94 175.23 2k1g s ASP 67 N -1.78 4.40 0.09 4.50 -4.77 -1.12 -1.26 116.67 116.74 2k1g s ASP 67 Ca -0.08 -0.34 -0.21 0.00 -3.30 0.00 0.00 52.55 48.62 2k1g s ASP 67 Cb -0.02 -0.07 -0.10 0.00 -1.09 0.00 0.00 42.92 41.64 2k1g s ASP 67 CO -0.00 -1.82 1.67 0.00 0.70 0.00 0.00 175.17 175.72 2k1g h SER 69 N 0.12 0.00 -0.62 0.00 4.64 -1.86 -3.23 113.55 112.61 2k1g h SER 69 Ca 0.05 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 2k1g h SER 69 Cb 0.10 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.16 2k1g h SER 69 CO -0.01 0.69 0.23 1.23 -0.87 0.00 0.00 176.83 178.10 2k1g h GLY 70 N 2.94 1.01 0.99 -0.77 0.00 -1.42 -2.84 103.07 102.97 2k1g h GLY 70 Ca -0.01 -0.57 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 2k1g h GLY 70 CO 0.09 0.53 -0.03 -2.75 0.00 0.00 0.00 176.54 174.38 2k1g h PHE 71 N 0.87 -0.09 0.27 5.60 3.57 -1.42 -2.03 116.94 123.72 2k1g h PHE 71 Ca 0.20 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2k1g h PHE 71 Cb 0.24 0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.01 2k1g h PHE 71 CO 0.01 -0.05 -0.14 -0.24 -2.23 0.00 0.00 178.31 175.66 2k1g h VAL 72 N -0.09 0.71 0.00 1.41 3.04 -1.59 -0.65 116.25 119.08 2k1g h VAL 72 Ca -0.01 0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.64 2k1g h VAL 72 Cb 0.07 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.05 2k1g h VAL 72 CO 0.01 0.00 -0.20 0.06 -1.01 0.00 0.00 177.57 176.43 2k1g h GLN 73 N -0.38 0.00 0.21 4.17 -0.00 -1.52 -2.33 115.11 115.26 2k1g h GLN 73 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2k1g h GLN 73 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.78 2k1g h GLN 73 CO 0.05 0.20 -0.10 0.00 -0.00 0.00 0.00 178.83 178.98 2k1g h ARG 74 N 0.00 -0.28 -0.69 0.06 3.08 -1.13 -2.64 114.38 112.78 2k1g h ARG 74 Ca -0.00 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.21 2k1g h ARG 74 Cb 0.45 0.06 -0.13 0.00 0.08 0.00 0.00 29.97 30.44 2k1g h ARG 74 CO 0.03 0.10 -0.14 1.15 -1.07 0.00 0.00 179.97 180.03 2k1g h THR 75 N -0.75 0.32 -0.44 2.04 2.02 -0.66 0.35 112.91 115.79 2k1g h THR 75 Ca -0.03 -0.01 -0.13 0.00 0.77 0.00 0.00 66.41 67.01 2k1g h THR 75 Cb 0.50 0.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.21 2k1g h THR 75 CO 0.05 0.00 -0.26 -0.26 0.37 0.00 0.00 175.52 175.43 2k1g h PHE 76 N 0.02 1.06 0.00 3.16 -1.00 -1.53 -2.38 116.94 116.26 2k1g h PHE 76 Ca 0.34 -0.27 -0.10 0.00 2.81 0.00 0.00 57.97 60.75 2k1g h PHE 76 Cb 0.54 -0.24 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 2k1g h PHE 76 CO -0.53 1.07 -0.47 0.07 -1.61 0.00 0.00 178.31 176.84 2k1g h ARG 77 N 0.79 0.00 0.00 1.51 0.11 -0.83 0.55 114.38 116.50 2k1g h ARG 77 Ca 0.10 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.99 2k1g h ARG 77 Cb 0.82 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.87 2k1g h ARG 77 CO 0.07 0.47 -0.92 0.93 0.10 0.00 0.00 179.97 180.62 2k1g h GLU 78 N 0.00 0.00 0.00 0.08 5.08 -0.30 -3.23 114.58 116.21 2k1g h GLU 78 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2k1g h GLU 78 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k1g h GLU 78 CO 0.06 0.78 -0.47 1.04 -1.00 0.00 0.00 179.01 179.42 2k1g n GLN 79 N -3.27 0.25 0.03 2.33 6.02 -0.90 -4.76 117.38 117.07 2k1g n GLN 79 Ca -0.01 0.10 0.13 0.00 -0.01 0.00 0.00 57.00 57.21 2k1g n GLN 79 Cb 0.88 -0.90 0.42 0.00 1.02 0.00 0.00 30.24 31.65 2k1g n GLN 79 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 2k1g n PHE 80 N -3.81 0.27 -1.18 1.08 3.72 0.00 -4.92 117.46 112.62 2k1g n PHE 80 Ca -0.07 0.08 -0.06 0.00 -0.05 0.00 0.00 57.45 57.35 2k1g n PHE 80 Cb 0.24 -0.55 -0.03 0.00 -0.94 0.00 0.00 39.48 38.21 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 1.44 0.81 3.68 1.37 0.00 0.17 -4.94 105.19 107.72 2k1g n GLY 81 Ca 0.06 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.43 4.26 -1.09 0.99 2.96 -0.73 -4.80 118.68 118.84 2k1g s LEU 82 Ca 0.00 1.90 -0.22 0.00 -0.22 0.00 0.00 54.13 55.58 2k1g s LEU 82 Cb 0.00 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.13 2k1g s LEU 82 CO 0.00 -0.70 1.79 -1.83 -1.32 0.00 0.00 176.35 174.29 2k1g s GLU 83 N 2.78 3.08 -0.13 1.98 -1.05 -1.26 -3.51 118.70 120.59 2k1g s GLU 83 Ca 0.59 -1.09 -0.04 0.00 -0.15 0.00 0.00 54.97 54.28 2k1g s GLU 83 Cb -0.26 -5.28 -0.03 0.00 -0.44 0.00 0.00 34.13 28.11 2k1g s GLU 83 CO 0.22 -3.04 0.01 -0.51 0.95 0.00 0.00 175.26 172.89 2k1g s LEU 84 N 7.93 3.60 0.68 1.83 1.43 -1.26 -5.12 118.68 127.77 2k1g s LEU 84 Ca 0.61 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.65 2k1g s LEU 84 Cb -0.01 -1.86 0.01 0.00 0.03 0.00 0.00 46.19 44.36 2k1g s LEU 84 CO 0.03 0.28 1.09 -2.16 0.23 0.00 0.00 176.35 175.82 2k1g s PRO 85 N -0.30 2.77 0.22 1.29 0.04 -1.26 -4.83 135.00 132.94 2k1g s PRO 85 Ca 0.07 1.24 -0.08 0.00 0.04 0.00 0.00 61.00 62.27 2k1g s PRO 85 Cb -0.12 -1.96 0.26 0.00 0.04 0.00 0.00 34.50 32.72 2k1g s PRO 85 CO 0.02 -1.25 1.82 0.07 0.04 0.00 0.00 177.00 177.70 2k1g h ARG 86 N -0.29 0.75 -6.08 4.56 -0.00 -1.96 -3.43 114.38 107.93 2k1g h ARG 86 Ca -0.46 -0.05 -0.59 0.00 -0.00 0.00 0.00 59.98 58.89 2k1g h ARG 86 Cb 1.23 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.97 30.98 2k1g h ARG 86 CO 0.54 0.50 -0.53 -1.12 -0.00 0.00 0.00 179.97 179.36 2k1g s SER 87 N -5.65 5.96 0.11 0.08 0.01 -1.26 -2.97 113.70 109.98 2k1g s SER 87 Ca -0.13 0.09 -0.33 0.00 1.31 0.00 0.00 55.95 56.89 2k1g s SER 87 Cb 0.17 -1.71 -0.12 0.00 0.21 0.00 0.00 66.02 64.56 2k1g s SER 87 CO 0.77 0.12 1.57 0.71 0.41 0.00 0.00 173.24 176.81 2k1g h THR 88 N 2.07 0.06 -1.12 1.44 1.35 -1.90 -1.98 112.91 112.83 2k1g h THR 88 Ca -0.47 0.00 0.32 0.00 -0.55 0.00 0.00 66.41 65.71 2k1g h THR 88 Cb 1.18 0.06 -0.10 0.00 -1.73 0.00 0.00 68.15 67.56 2k1g h THR 88 CO 0.69 0.00 0.73 1.88 -0.25 0.00 0.00 175.52 178.57 2k1g h TYR 89 N -0.70 0.55 0.13 4.73 0.05 -1.96 0.28 116.97 120.05 2k1g h TYR 89 Ca 0.01 0.02 -0.23 0.00 0.05 0.00 0.00 58.73 58.58 2k1g h TYR 89 Cb 0.73 -0.15 0.03 0.00 1.01 0.00 0.00 36.73 38.34 2k1g h TYR 89 CO -0.43 -0.01 -1.00 0.93 -1.05 0.00 0.00 178.16 176.60 2k1g h GLU 90 N 0.28 0.45 0.00 4.88 5.08 -1.87 -3.22 114.58 120.17 2k1g h GLU 90 Ca 0.64 -0.65 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2k1g h GLU 90 Cb 1.85 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 31.32 2k1g h GLU 90 CO -0.29 1.29 -0.02 1.96 -1.00 0.00 0.00 179.01 180.94 2k1g h GLN 91 N -0.07 0.00 -0.27 2.33 4.20 0.15 -2.30 115.11 119.15 2k1g h GLN 91 Ca -0.16 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.47 2k1g h GLN 91 Cb 1.74 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.51 2k1g h GLN 91 CO 0.19 0.02 -0.19 1.96 -0.67 0.00 0.00 178.83 180.14 2k1g h GLN 92 N 0.00 0.48 0.00 1.46 4.20 -0.70 -3.05 115.11 117.50 2k1g h GLN 92 Ca -0.00 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.55 2k1g h GLN 92 Cb 0.13 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.87 2k1g h GLN 92 CO 0.00 0.65 -0.23 0.39 -0.67 0.00 0.00 178.83 178.98 2k1g n GLU 93 N -4.16 0.05 0.00 1.46 -0.58 -0.87 -4.38 120.64 112.16 2k1g n GLU 93 Ca 0.00 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 2k1g n GLU 93 Cb 0.36 -1.54 0.00 0.00 -0.57 0.00 0.00 31.44 29.69 2k1g n GLU 93 CO 0.00 0.00 0.00 -1.33 -0.48 0.00 0.00 177.13 175.32 2k1g n MET 94 N -1.62 0.00 -2.09 3.49 2.81 -1.17 -4.93 117.12 113.61 2k1g n MET 94 Ca 0.06 0.13 -0.42 0.00 -1.81 0.00 0.00 57.70 55.66 2k1g n MET 94 Cb 0.35 -0.62 -0.03 0.00 -0.71 0.00 0.00 33.22 32.21 2k1g n MET 94 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2k1g s GLY 95 N -2.71 1.86 0.21 3.03 0.00 -1.16 -4.99 107.32 103.57 2k1g s GLY 95 Ca 0.00 1.21 -0.21 0.00 0.00 0.00 0.00 44.72 45.72 2k1g s GLY 95 CO 0.00 2.43 0.74 0.54 0.00 0.00 0.00 173.10 176.81 2k1g s LYS 96 N 1.03 4.32 0.45 2.90 -0.14 -1.25 -4.69 119.74 122.36 2k1g s LYS 96 Ca 0.66 0.94 -0.24 0.00 -1.36 0.00 0.00 55.97 55.96 2k1g s LYS 96 Cb -0.39 -2.95 -0.07 0.00 -1.68 0.00 0.00 37.83 32.73 2k1g s LYS 96 CO 0.31 0.43 1.30 -1.12 -0.76 0.00 0.00 175.35 175.51 2k1g s SER 97 N -1.54 5.99 0.19 2.83 0.01 -1.25 -1.93 113.70 118.00 2k1g s SER 97 Ca 0.42 2.64 0.03 0.00 1.31 0.00 0.00 55.95 60.34 2k1g s SER 97 Cb -0.18 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.37 2k1g s SER 97 CO 0.22 -1.07 -0.03 -0.69 0.41 0.00 0.00 173.24 172.08 2k1g s VAL 98 N -1.32 0.96 0.43 3.43 1.01 0.89 -4.87 120.40 120.93 2k1g s VAL 98 Ca 0.62 -2.02 0.06 0.00 0.00 0.00 0.00 61.98 60.64 2k1g s VAL 98 Cb -0.37 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 2k1g s VAL 98 CO 0.46 -0.49 0.11 -0.55 0.00 0.00 0.00 175.10 174.64 2k1g s SER 99 N -3.23 4.21 0.16 3.32 0.15 -1.26 -3.70 113.70 113.36 2k1g s SER 99 Ca 0.24 -1.27 -0.27 0.00 0.70 0.00 0.00 55.95 55.34 2k1g s SER 99 Cb 0.05 -0.26 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 2k1g s SER 99 CO 0.05 -0.59 1.56 0.03 1.20 0.00 0.00 173.24 175.49 2k1g h ARG 100 N 1.49 -0.20 0.00 5.44 2.47 -2.02 0.05 114.38 121.61 2k1g h ARG 100 Ca -0.43 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 2k1g h ARG 100 Cb 1.26 0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.63 2k1g h ARG 100 CO 0.74 -0.13 0.00 0.45 0.56 0.00 0.00 179.97 181.58 2k1g n SER 101 N -5.38 0.00 -0.29 7.04 2.88 -1.26 -2.50 113.62 114.11 2k1g n SER 101 Ca 0.01 0.43 0.03 0.00 -1.33 0.00 0.00 58.87 58.01 2k1g n SER 101 Cb 0.34 -0.46 0.05 0.00 -0.75 0.00 0.00 64.21 63.39 2k1g n SER 101 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2k1g n ASN 102 N -1.46 2.01 -4.74 -3.46 3.02 -0.06 -5.03 115.26 105.53 2k1g n ASN 102 Ca 0.04 -1.63 -0.42 0.00 -0.03 0.00 0.00 54.58 52.54 2k1g n ASN 102 Cb 0.15 -0.06 -0.02 0.00 -0.61 0.00 0.00 39.78 39.24 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 -0.75 4.36 0.41 3.41 1.43 -0.80 -4.80 118.68 121.93 2k1g s LEU 103 Ca 0.10 2.86 0.08 0.00 -1.03 0.00 0.00 54.13 56.13 2k1g s LEU 103 Cb 0.06 -3.62 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2k1g s LEU 103 CO 0.08 -0.90 0.33 -0.13 0.23 0.00 0.00 176.35 175.96 2k1g s ARG 104 N 0.19 2.48 -0.27 1.70 0.52 -1.26 -5.07 118.95 117.24 2k1g s ARG 104 Ca 0.67 -1.58 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 2k1g s ARG 104 Cb -0.47 -2.30 0.01 0.00 0.52 0.00 0.00 34.95 32.71 2k1g s ARG 104 CO 0.41 -0.15 1.06 0.99 0.02 0.00 0.00 175.30 177.63 2k1g s THR 105 N -2.48 4.59 0.00 0.02 2.01 -1.26 -2.90 115.64 115.62 2k1g s THR 105 Ca 0.46 1.89 0.00 0.00 0.31 0.00 0.00 61.69 64.35 2k1g s THR 105 Cb -0.02 -4.35 0.00 0.00 0.01 0.00 0.00 72.50 68.14 2k1g s THR 105 CO 0.27 -0.31 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 2k1g n GLY 106 N 3.57 0.84 3.84 4.40 0.00 0.48 -4.93 105.19 113.40 2k1g n GLY 106 Ca 0.12 -0.26 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2k1g n GLY 106 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2k1g s ASP 107 N -2.23 5.83 -0.31 1.61 -1.08 -1.14 -4.46 116.67 114.88 2k1g s ASP 107 Ca 0.00 1.53 -0.02 0.00 -0.52 0.00 0.00 52.55 53.53 2k1g s ASP 107 Cb 0.00 -2.48 0.05 0.00 -1.46 0.00 0.00 42.92 39.03 2k1g s ASP 107 CO 0.00 -1.14 0.02 -0.76 0.52 0.00 0.00 175.17 173.82 2k1g s LEU 108 N -5.30 4.03 -0.20 -1.34 1.43 -0.09 0.02 118.68 117.24 2k1g s LEU 108 Ca 0.57 -1.31 -0.15 0.00 -1.03 0.00 0.00 54.13 52.21 2k1g s LEU 108 Cb -0.12 -1.74 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 2k1g s LEU 108 CO 0.53 -0.29 0.34 0.68 0.23 0.00 0.00 176.35 177.85 2k1g s VAL 109 N 1.26 5.25 -0.09 -1.59 -7.23 -0.69 -0.20 120.40 117.10 2k1g s VAL 109 Ca -0.04 0.59 -0.10 0.00 -1.81 0.00 0.00 61.98 60.63 2k1g s VAL 109 Cb -0.20 -3.67 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2k1g s VAL 109 CO -0.01 0.29 0.22 -0.76 -0.31 0.00 0.00 175.10 174.54 2k1g s LEU 110 N 1.10 4.40 -0.03 1.32 1.43 0.44 -1.32 118.68 126.02 2k1g s LEU 110 Ca 0.17 0.59 0.06 0.00 -1.03 0.00 0.00 54.13 53.92 2k1g s LEU 110 Cb -0.14 -2.23 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2k1g s LEU 110 CO 0.07 0.36 -0.20 -0.36 0.23 0.00 0.00 176.35 176.45 2k1g s PHE 111 N -0.89 1.85 -1.11 0.29 0.08 -0.03 -0.76 117.98 117.40 2k1g s PHE 111 Ca 0.17 -0.43 -0.22 0.00 0.12 0.00 0.00 56.93 56.57 2k1g s PHE 111 Cb -0.13 -1.21 -0.04 0.00 -0.57 0.00 0.00 43.02 41.07 2k1g s PHE 111 CO 0.06 -0.09 1.85 1.03 -0.10 0.00 0.00 175.22 177.97 2k1g s ARG 112 N -0.28 2.88 -0.00 0.44 0.52 0.24 -2.73 118.95 120.02 2k1g s ARG 112 Ca 0.03 -1.05 -0.15 0.00 -0.52 0.00 0.00 55.73 54.04 2k1g s ARG 112 Cb -0.10 -5.25 -0.06 0.00 0.52 0.00 0.00 34.95 30.06 2k1g s ARG 112 CO 0.01 -3.34 0.41 0.00 0.02 0.00 0.00 175.30 172.39 2k1g s ALA 113 N 8.99 3.70 0.13 2.13 0.00 -0.56 -4.88 121.76 131.27 2k1g s ALA 113 Ca 0.64 -0.22 -0.13 0.00 0.00 0.00 0.00 51.96 52.25 2k1g s ALA 113 Cb -0.02 -2.38 -0.04 0.00 0.00 0.00 0.00 23.12 20.68 2k1g s ALA 113 CO 0.06 0.48 1.49 0.78 0.00 0.00 0.00 175.76 178.58 2k1g h GLY 114 N 4.72 0.89 -4.54 0.00 0.00 -1.93 -3.21 103.07 98.98 2k1g h GLY 114 Ca -0.52 -0.81 -0.54 0.00 0.00 0.00 0.00 47.33 45.46 2k1g h GLY 114 CO 0.61 0.74 0.50 -0.56 0.00 0.00 0.00 176.54 177.83 2k1g s SER 115 N -6.55 7.24 0.00 0.19 0.01 -1.26 -3.85 113.70 109.48 2k1g s SER 115 Ca -0.12 1.72 0.00 0.00 1.31 0.00 0.00 55.95 58.86 2k1g s SER 115 Cb 0.10 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2k1g s SER 115 CO 0.84 -0.39 0.00 0.35 0.41 0.00 0.00 173.24 174.45 2k1g n THR 116 N 4.14 0.00 0.00 1.44 -2.24 -1.26 -4.54 114.28 111.82 2k1g n THR 116 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2k1g n THR 116 Cb 0.49 -0.85 0.00 0.00 -2.10 0.00 0.00 70.33 67.87 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 0.67 1.83 3.64 3.38 0.00 -1.21 -4.79 105.19 108.70 2k1g n GLY 117 Ca 0.00 0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 4.10 0.10 1.61 1.81 -1.26 -1.50 118.95 123.81 2k1g s ARG 118 Ca 0.00 0.24 0.08 0.00 -1.72 0.00 0.00 55.73 54.33 2k1g s ARG 118 Cb 0.00 -3.61 -0.04 0.00 -0.45 0.00 0.00 34.95 30.85 2k1g s ARG 118 CO 0.00 -0.22 -0.17 -1.58 -0.68 0.00 0.00 175.30 172.66 2k1g s HIS 119 N 1.87 2.58 -0.06 -0.53 2.46 -1.10 -4.91 115.29 115.60 2k1g s HIS 119 Ca 0.20 -0.24 -0.04 0.00 0.47 0.00 0.00 55.06 55.45 2k1g s HIS 119 Cb -0.15 -1.38 0.02 0.00 -0.13 0.00 0.00 32.58 30.94 2k1g s HIS 119 CO 0.09 0.37 0.14 0.54 -2.47 0.00 0.00 174.74 173.41 2k1g s VAL 120 N -1.12 -0.02 0.09 0.89 0.11 -1.26 -0.85 120.40 118.23 2k1g s VAL 120 Ca 0.18 0.08 0.09 0.00 -2.93 0.00 0.00 61.98 59.40 2k1g s VAL 120 Cb -0.11 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.49 2k1g s VAL 120 CO 0.10 0.03 -0.23 -0.83 -3.33 0.00 0.00 175.10 170.85 2k1g s GLY 121 N 0.59 1.32 -0.53 6.54 0.00 -0.43 -4.67 107.32 110.12 2k1g s GLY 121 Ca -0.04 -1.27 -0.27 0.00 0.00 0.00 0.00 44.72 43.14 2k1g s GLY 121 CO -0.03 -1.24 1.07 -0.42 0.00 0.00 0.00 173.10 172.48 2k1g s ILE 122 N -1.04 4.22 -0.51 0.90 1.01 0.67 -1.70 121.20 124.76 2k1g s ILE 122 Ca 0.09 0.78 -0.27 0.00 0.00 0.00 0.00 60.65 61.25 2k1g s ILE 122 Cb -0.10 -4.61 -0.01 0.00 0.01 0.00 0.00 42.46 37.75 2k1g s ILE 122 CO 0.04 -1.13 1.74 -0.47 0.00 0.00 0.00 174.94 175.12 2k1g s TYR 123 N 4.40 1.85 -0.27 3.97 5.04 0.10 -1.30 117.35 131.15 2k1g s TYR 123 Ca 0.40 0.68 0.19 0.00 -2.44 0.00 0.00 57.07 55.90 2k1g s TYR 123 Cb -0.09 -4.17 -0.28 0.00 0.35 0.00 0.00 41.96 37.78 2k1g s TYR 123 CO 0.25 -2.42 0.53 0.44 -1.34 0.00 0.00 175.55 173.02 2k1g n ILE 124 N 7.20 0.00 -3.58 3.14 -5.35 -0.80 -0.38 119.36 119.58 2k1g n ILE 124 Ca 0.19 -0.34 -0.00 0.00 -0.27 0.00 0.00 62.75 62.33 2k1g n ILE 124 Cb 0.50 0.32 -0.00 0.00 -1.74 0.00 0.00 39.64 38.72 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 1.41 3.11 0.32 3.28 0.00 -0.64 -4.75 105.19 107.92 2k1g n GLY 125 Ca -0.02 -1.39 0.09 0.00 0.00 0.00 0.00 46.02 44.71 2k1g n GLY 125 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2k1g h ASN 126 N 0.06 0.30 0.00 1.61 -0.73 -1.98 -3.36 115.58 111.49 2k1g h ASN 126 Ca -0.01 -0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.16 2k1g h ASN 126 Cb 0.04 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 38.56 2k1g h ASN 126 CO 0.01 0.20 -0.12 0.59 -0.37 0.00 0.00 177.43 177.74 2k1g n ASN 127 N -4.48 0.62 -4.79 1.15 5.03 -1.26 -4.94 115.26 106.60 2k1g n ASN 127 Ca 0.05 0.00 -0.39 0.00 0.87 0.00 0.00 54.58 55.11 2k1g n ASN 127 Cb 0.22 0.08 -0.06 0.00 -1.02 0.00 0.00 39.78 39.00 2k1g n ASN 127 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 2k1g s GLN 128 N -0.81 4.45 -0.08 3.52 -0.21 -1.26 -0.26 119.66 125.00 2k1g s GLN 128 Ca 0.00 1.03 -0.11 0.00 0.02 0.00 0.00 55.36 56.30 2k1g s GLN 128 Cb 0.00 -3.18 0.03 0.00 1.00 0.00 0.00 33.01 30.85 2k1g s GLN 128 CO 0.00 0.55 0.29 -0.59 -2.12 0.00 0.00 175.29 173.42 2k1g s PHE 129 N -1.22 -0.27 -0.14 0.91 -0.71 -0.09 -1.62 117.98 114.85 2k1g s PHE 129 Ca 0.36 0.62 -0.08 0.00 -1.04 0.00 0.00 56.93 56.79 2k1g s PHE 129 Cb -0.21 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.65 2k1g s PHE 129 CO 0.24 -0.22 0.14 0.54 -1.34 0.00 0.00 175.22 174.58 2k1g s VAL 130 N -0.28 5.47 0.18 -2.49 0.11 -0.42 -0.68 120.40 122.29 2k1g s VAL 130 Ca -0.04 0.22 -0.18 0.00 -2.93 0.00 0.00 61.98 59.05 2k1g s VAL 130 Cb -0.03 -3.43 0.03 0.00 -1.53 0.00 0.00 36.38 31.42 2k1g s VAL 130 CO 0.01 0.57 0.52 -1.38 -3.33 0.00 0.00 175.10 171.49 2k1g s HIS 131 N -0.64 -0.18 -0.66 1.54 -3.43 0.24 -0.24 115.29 111.93 2k1g s HIS 131 Ca 0.13 -0.15 -0.18 0.00 -0.80 0.00 0.00 55.06 54.06 2k1g s HIS 131 Cb -0.12 0.40 0.12 0.00 -1.43 0.00 0.00 32.58 31.55 2k1g s HIS 131 CO 0.03 -0.88 0.76 0.00 -2.00 0.00 0.00 174.74 172.65 2k1g s ALA 132 N -3.85 3.47 0.25 -1.38 0.00 -1.26 -0.22 121.76 118.77 2k1g s ALA 132 Ca 0.07 -2.40 -0.26 0.00 0.00 0.00 0.00 51.96 49.38 2k1g s ALA 132 Cb -0.01 -3.59 -0.09 0.00 0.00 0.00 0.00 23.12 19.43 2k1g s ALA 132 CO -0.05 -2.43 0.88 -1.54 0.00 0.00 0.00 175.76 172.62 2k1g s SER 133 N 3.48 7.41 0.00 0.00 1.04 0.87 -3.84 113.70 122.67 2k1g s SER 133 Ca 0.15 1.77 0.14 0.00 0.48 0.00 0.00 55.95 58.49 2k1g s SER 133 Cb -0.20 -2.55 0.66 0.00 0.10 0.00 0.00 66.02 64.03 2k1g s SER 133 CO 0.03 0.08 1.39 1.07 0.98 0.00 0.00 173.24 176.79 2k1g n THR 134 N 1.10 0.76 -0.08 2.02 5.66 -1.26 -0.90 114.28 121.58 2k1g n THR 134 Ca -0.02 0.19 -0.09 0.00 -3.05 0.00 0.00 64.05 61.09 2k1g n THR 134 Cb 0.49 -0.96 -0.03 0.00 -1.55 0.00 0.00 70.33 68.28 2k1g n THR 134 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2k1g n SER 135 N -1.35 1.88 -0.84 1.09 3.41 -1.26 -4.75 113.62 111.79 2k1g n SER 135 Ca 0.06 0.32 0.07 0.00 -0.26 0.00 0.00 58.87 59.05 2k1g n SER 135 Cb 0.13 -0.71 0.21 0.00 -0.26 0.00 0.00 64.21 63.58 2k1g n SER 135 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2k1g n SER 136 N -4.38 3.47 0.00 4.04 7.64 -1.25 -5.05 113.62 118.10 2k1g n SER 136 Ca -0.14 -2.38 0.00 0.00 1.01 0.00 0.00 58.87 57.36 2k1g n SER 136 Cb 0.49 -0.38 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 2k1g n SER 136 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k1g n GLY 137 N 0.27 0.28 3.58 0.23 0.00 -0.08 -4.61 105.19 104.87 2k1g n GLY 137 Ca 0.17 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.90 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 0.21 1.61 1.01 -1.18 -0.09 120.40 125.19 2k1g s VAL 138 Ca 0.00 0.21 0.04 0.00 0.00 0.00 0.00 61.98 62.23 2k1g s VAL 138 Cb 0.00 -3.41 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 2k1g s VAL 138 CO 0.00 -0.32 0.14 2.30 0.00 0.00 0.00 175.10 177.22 2k1g n ILE 139 N 7.59 0.00 -4.97 2.22 -5.35 0.69 -2.66 119.36 116.88 2k1g n ILE 139 Ca 0.27 -1.38 -0.30 0.00 -0.27 0.00 0.00 62.75 61.06 2k1g n ILE 139 Cb 0.49 0.63 -0.17 0.00 -1.74 0.00 0.00 39.64 38.85 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 -2.66 1.82 0.47 7.28 1.01 -1.26 -0.59 121.20 127.27 2k1g s ILE 140 Ca 0.19 -0.87 0.04 0.00 0.00 0.00 0.00 60.65 60.01 2k1g s ILE 140 Cb 0.01 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2k1g s ILE 140 CO 0.14 0.51 0.06 -0.44 0.00 0.00 0.00 174.94 175.20 2k1g s SER 141 N 0.51 4.11 0.01 3.58 0.01 0.14 -4.93 113.70 117.14 2k1g s SER 141 Ca -0.16 -1.46 0.07 0.00 1.31 0.00 0.00 55.95 55.71 2k1g s SER 141 Cb -0.17 0.07 -0.02 0.00 0.21 0.00 0.00 66.02 66.11 2k1g s SER 141 CO 0.06 -0.69 -0.20 -0.55 0.41 0.00 0.00 173.24 172.26 2k1g s SER 142 N -3.85 2.42 0.45 2.44 0.15 -1.26 -0.91 113.70 113.14 2k1g s SER 142 Ca 0.22 -0.44 0.31 0.00 0.70 0.00 0.00 55.95 56.74 2k1g s SER 142 Cb 0.05 -0.24 1.56 0.00 -1.71 0.00 0.00 66.02 65.68 2k1g s SER 142 CO 0.12 0.21 1.94 0.24 1.20 0.00 0.00 173.24 176.94 2k1g h MET 143 N 5.27 0.00 0.00 5.44 2.86 -0.99 -1.88 114.93 125.63 2k1g h MET 143 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2k1g h MET 143 Cb 1.15 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.81 2k1g h MET 143 CO 0.46 0.00 0.00 -0.91 1.06 0.00 0.00 176.91 177.52 2k1g h ASN 144 N 0.00 0.00 -2.95 1.22 2.35 -1.95 -3.28 115.58 110.97 2k1g h ASN 144 Ca 0.00 0.00 -0.53 0.00 -0.55 0.00 0.00 56.30 55.22 2k1g h ASN 144 Cb 0.15 0.00 0.03 0.00 0.05 0.00 0.00 38.32 38.55 2k1g h ASN 144 CO 0.00 0.00 0.79 -1.61 -1.65 0.00 0.00 177.43 174.96 2k1g s GLU 145 N -3.40 4.28 0.19 0.81 0.41 -0.71 -4.87 118.70 115.41 2k1g s GLU 145 Ca 0.05 2.20 -0.18 0.00 -0.41 0.00 0.00 54.97 56.62 2k1g s GLU 145 Cb 0.09 -3.21 0.15 0.00 -1.78 0.00 0.00 34.13 29.38 2k1g s GLU 145 CO 0.55 -0.50 1.62 -1.35 -0.49 0.00 0.00 175.26 175.08 2k1g h PRO 146 N 6.73 -0.10 -0.35 0.39 0.11 -1.90 0.66 132.00 137.54 2k1g h PRO 146 Ca -0.42 0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.72 2k1g h PRO 146 Cb 1.21 0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 2k1g h PRO 146 CO 0.88 -0.07 0.18 -0.92 -0.21 0.00 0.00 178.00 177.86 2k1g h TYR 147 N -0.11 0.33 -0.23 0.65 3.20 -1.96 -2.74 116.97 116.12 2k1g h TYR 147 Ca 0.24 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.92 2k1g h TYR 147 Cb 0.48 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.66 2k1g h TYR 147 CO -0.52 0.18 -0.65 -1.49 -1.64 0.00 0.00 178.16 174.04 2k1g h TRP 148 N 0.37 1.09 0.15 -3.82 4.06 -1.68 -2.30 115.95 113.83 2k1g h TRP 148 Ca 0.15 -0.43 0.00 0.00 2.06 0.00 0.00 58.89 60.67 2k1g h TRP 148 Cb 0.05 -0.19 -0.01 0.00 -1.00 0.00 0.00 29.16 28.01 2k1g h TRP 148 CO -0.10 1.26 -0.15 -0.22 -3.56 0.00 0.00 178.44 175.68 2k1g h LYS 149 N 0.60 -0.32 0.00 0.49 3.64 -0.82 0.12 116.57 120.28 2k1g h LYS 149 Ca -0.02 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k1g h LYS 149 Cb 1.27 0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2k1g h LYS 149 CO 0.14 -0.21 0.00 0.36 -2.27 0.00 0.00 179.45 177.47 2k1g n LYS 150 N -5.27 0.25 0.02 1.90 2.85 -1.04 -2.70 118.16 114.16 2k1g n LYS 150 Ca -0.08 0.26 0.12 0.00 -1.05 0.00 0.00 58.31 57.56 2k1g n LYS 150 Cb 0.19 -1.82 0.14 0.00 -0.65 0.00 0.00 35.03 32.88 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 -2.27 0.13 -1.52 -1.58 3.00 -0.86 -4.88 116.66 108.67 2k1g n ARG 151 Ca 0.05 0.01 -0.43 0.00 -0.01 0.00 0.00 57.85 57.47 2k1g n ARG 151 Cb 0.39 -1.56 -0.06 0.00 0.00 0.00 0.00 32.46 31.24 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 -1.73 1.50 -0.10 -1.55 9.36 0.38 -0.59 117.16 124.43 2k1g n TYR 152 Ca 0.04 0.15 -0.20 0.00 3.32 0.00 0.00 57.90 61.22 2k1g n TYR 152 Cb 0.38 -2.59 -0.10 0.00 -0.63 0.00 0.00 39.34 36.40 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 12.32 1.86 -3.61 2.98 5.15 0.06 -4.93 115.26 129.08 2k1g n ASN 153 Ca 0.41 0.45 -0.07 0.00 -0.60 0.00 0.00 54.58 54.77 2k1g n ASN 153 Cb 0.36 -0.94 -0.05 0.00 -0.53 0.00 0.00 39.78 38.61 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 -2.35 0.36 0.27 1.20 -1.05 -1.20 -5.02 118.70 110.91 2k1g s GLU 154 Ca -0.27 0.16 0.06 0.00 -0.15 0.00 0.00 54.97 54.78 2k1g s GLU 154 Cb 0.06 0.17 -0.03 0.00 -0.44 0.00 0.00 34.13 33.89 2k1g s GLU 154 CO 0.53 -0.10 0.31 0.00 0.95 0.00 0.00 175.26 176.95 2k1g s ALA 155 N -0.75 3.85 -0.19 -0.84 0.00 -1.24 -0.42 121.76 122.16 2k1g s ALA 155 Ca 0.03 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.55 2k1g s ALA 155 Cb -0.02 -1.48 0.09 0.00 0.00 0.00 0.00 23.12 21.71 2k1g s ALA 155 CO -0.04 0.16 0.26 1.03 0.00 0.00 0.00 175.76 177.18 2k1g s ARG 156 N -3.96 0.21 -0.79 0.00 0.52 0.72 -0.08 118.95 115.57 2k1g s ARG 156 Ca 0.36 0.43 -0.26 0.00 -0.52 0.00 0.00 55.73 55.75 2k1g s ARG 156 Cb -0.08 -0.72 0.02 0.00 0.52 0.00 0.00 34.95 34.69 2k1g s ARG 156 CO 0.28 -0.54 1.51 -0.98 0.02 0.00 0.00 175.30 175.58 2k1g s ARG 157 N 2.40 3.09 0.18 3.54 1.70 -0.81 -0.91 118.95 128.14 2k1g s ARG 157 Ca 0.06 -0.25 0.09 0.00 -0.47 0.00 0.00 55.73 55.16 2k1g s ARG 157 Cb -0.15 -4.56 0.01 0.00 -0.57 0.00 0.00 34.95 29.68 2k1g s ARG 157 CO -0.12 -2.41 1.41 -0.39 -1.08 0.00 0.00 175.30 172.71 2k1g h VAL 158 N 6.50 1.59 -3.84 4.99 -1.51 -1.89 -3.34 116.25 118.75 2k1g h VAL 158 Ca -0.14 -2.91 -0.48 0.00 -1.23 0.00 0.00 66.70 61.95 2k1g h VAL 158 Cb 1.06 2.58 -0.01 0.00 -2.13 0.00 0.00 31.29 32.78 2k1g h VAL 158 CO 1.29 0.83 0.36 -0.76 -1.23 0.00 0.00 177.57 178.06 2k1g s LEU 159 N -7.02 4.44 -1.42 4.19 1.43 -1.26 -3.52 118.68 115.51 2k1g s LEU 159 Ca 0.00 1.92 0.00 0.00 -1.03 0.00 0.00 54.13 55.02 2k1g s LEU 159 Cb 0.11 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.46 2k1g s LEU 159 CO 0.80 -0.03 0.00 -0.24 0.23 0.00 0.00 176.35 177.11 2k1g n SER 160 N 0.86 -4.61 -4.66 2.29 2.88 -1.26 -4.96 113.62 104.16 2k1g n SER 160 Ca 0.01 0.23 -0.42 0.00 -1.33 0.00 0.00 58.87 57.36 2k1g n SER 160 Cb 0.49 -3.49 -0.03 0.00 -0.75 0.00 0.00 64.21 60.43 2k1g n SER 160 CO 0.00 0.00 0.00 -0.60 -1.23 0.00 0.00 175.04 173.21 2k1g s ARG 161 N -3.70 4.16 0.58 -1.46 3.52 -1.23 -4.99 118.95 115.84 2k1g s ARG 161 Ca 0.00 2.13 -0.19 0.00 -0.13 0.00 0.00 55.73 57.54 2k1g s ARG 161 Cb 0.00 -3.98 -0.04 0.00 -1.56 0.00 0.00 34.95 29.37 2k1g s ARG 161 CO 0.00 -0.86 1.18 -1.54 -0.81 0.00 0.00 175.30 173.27 2k1g s SER 162 N 3.32 5.33 1.02 -2.12 1.04 -1.26 -5.01 113.70 116.02 2k1g s SER 162 Ca 0.72 2.32 -0.13 0.00 0.48 0.00 0.00 55.95 59.34 2k1g s SER 162 Cb -0.32 -2.59 0.20 0.00 0.10 0.00 0.00 66.02 63.40 2k1g s SER 162 CO 0.29 -1.50 1.09 -0.76 0.98 0.00 0.00 173.24 173.34 2k1g s LEU 163 N -4.03 1.50 0.00 2.42 1.02 -1.26 -5.16 118.68 113.18 2k1g s LEU 163 Ca 0.76 1.14 0.31 0.00 0.02 0.00 0.00 54.13 56.36 2k1g s LEU 163 Cb -0.28 -3.29 1.86 0.00 0.02 0.00 0.00 46.19 44.50 2k1g s LEU 163 CO 0.32 -3.22 2.18 -0.62 0.02 0.00 0.00 176.35 175.03