#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 7.25 -0.54 3.17 -0.87 -1.26 -4.99 114.94 117.70 2k1g s ASN 37 Ca 0.00 1.74 -0.28 0.00 -1.57 0.00 0.00 52.86 52.75 2k1g s ASN 37 Cb 0.00 -2.57 0.02 0.00 -0.02 0.00 0.00 41.25 38.68 2k1g s ASN 37 CO 0.00 -0.37 1.36 -0.69 -2.57 0.00 0.00 177.10 174.83 2k1g s VAL 38 N 1.29 3.87 -0.81 1.60 1.01 -1.26 -4.94 120.40 121.16 2k1g s VAL 38 Ca 0.53 0.78 -0.25 0.00 0.00 0.00 0.00 61.98 63.04 2k1g s VAL 38 Cb -0.23 -4.48 -0.10 0.00 0.00 0.00 0.00 36.38 31.58 2k1g s VAL 38 CO 0.26 -1.15 2.22 -1.81 0.00 0.00 0.00 175.10 174.62 2k1g s ASP 39 N 3.97 4.43 0.20 3.32 1.11 -1.26 -4.82 116.67 123.62 2k1g s ASP 39 Ca 0.51 -0.15 -0.12 0.00 0.18 0.00 0.00 52.55 52.97 2k1g s ASP 39 Cb -0.10 -2.55 0.23 0.00 1.07 0.00 0.00 42.92 41.57 2k1g s ASP 39 CO 0.26 -3.35 1.69 0.58 1.18 0.00 0.00 175.17 175.53 2k1g h VAL 40 N 7.50 0.61 -0.30 -1.27 2.07 -1.92 0.21 116.25 123.16 2k1g h VAL 40 Ca 0.01 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.52 2k1g h VAL 40 Cb 1.02 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 2k1g h VAL 40 CO 1.10 0.03 0.06 0.50 0.02 0.00 0.00 177.57 179.28 2k1g h LYS 41 N 0.16 0.16 -0.12 1.57 3.64 -1.87 -0.63 116.57 119.47 2k1g h LYS 41 Ca 0.28 -0.01 -0.11 0.00 -1.27 0.00 0.00 60.65 59.54 2k1g h LYS 41 Cb 0.42 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2k1g h LYS 41 CO -0.42 0.11 -0.41 1.03 -2.27 0.00 0.00 179.45 177.49 2k1g h SER 42 N 0.17 0.29 -0.39 4.20 0.87 -1.76 -1.89 113.55 115.04 2k1g h SER 42 Ca 0.14 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.51 2k1g h SER 42 Cb 0.15 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.01 2k1g h SER 42 CO -0.18 0.68 -0.00 0.03 -0.53 0.00 0.00 176.83 176.82 2k1g h ARG 43 N 0.23 0.69 -0.51 2.24 2.47 -0.17 0.17 114.38 119.51 2k1g h ARG 43 Ca 0.02 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.45 2k1g h ARG 43 Cb 0.83 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 29.07 2k1g h ARG 43 CO 0.07 0.78 0.03 0.82 0.56 0.00 0.00 179.97 182.23 2k1g h ILE 44 N 0.51 1.24 -0.46 2.04 2.04 -1.00 -0.51 117.51 121.37 2k1g h ILE 44 Ca 0.11 -0.98 -0.04 0.00 1.00 0.00 0.00 64.86 64.94 2k1g h ILE 44 Cb 0.48 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 37.36 2k1g h ILE 44 CO 0.02 0.35 0.12 0.24 0.00 0.00 0.00 178.15 178.88 2k1g h MET 45 N 0.78 0.73 -0.81 2.37 2.86 -1.17 0.11 114.93 119.80 2k1g h MET 45 Ca 0.15 -0.17 0.03 0.00 -2.06 0.00 0.00 59.70 57.65 2k1g h MET 45 Cb 0.43 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 2k1g h MET 45 CO 0.02 0.72 0.53 0.22 1.06 0.00 0.00 176.91 179.45 2k1g h ASP 46 N 0.62 0.88 0.08 1.22 3.58 -0.28 0.30 116.42 122.82 2k1g h ASP 46 Ca 0.15 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k1g h ASP 46 Cb 0.31 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.16 2k1g h ASP 46 CO -0.00 0.62 -0.04 -0.61 -2.88 0.00 0.00 179.24 176.33 2k1g h GLN 47 N 1.04 -0.10 -0.81 0.28 -0.00 -0.98 -3.06 115.11 111.47 2k1g h GLN 47 Ca 0.32 0.01 0.17 0.00 -0.00 0.00 0.00 58.65 59.14 2k1g h GLN 47 Cb -0.02 0.02 -0.06 0.00 0.00 0.00 0.00 27.48 27.42 2k1g h GLN 47 CO -0.10 0.21 0.54 -0.92 0.00 0.00 0.00 178.83 178.56 2k1g h TYR 48 N -0.42 0.51 -0.76 3.99 3.20 -0.41 -0.11 116.97 122.96 2k1g h TYR 48 Ca -0.01 0.02 0.17 0.00 3.14 0.00 0.00 58.73 62.05 2k1g h TYR 48 Cb 0.36 -0.16 -0.05 0.00 1.54 0.00 0.00 36.73 38.43 2k1g h TYR 48 CO 0.03 0.18 0.52 0.00 -1.64 0.00 0.00 178.16 177.24 2k1g h ALA 49 N 1.63 2.29 -0.02 1.82 0.00 -0.30 0.20 119.26 124.88 2k1g h ALA 49 Ca 0.41 -0.00 -0.16 0.00 0.00 0.00 0.00 54.91 55.15 2k1g h ALA 49 Cb 0.96 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2k1g h ALA 49 CO -0.14 -0.51 -0.73 -0.44 0.00 0.00 0.00 179.25 177.43 2k1g h ASP 50 N 0.29 0.16 -0.49 0.00 3.32 -1.09 -3.32 116.42 115.29 2k1g h ASP 50 Ca 0.38 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2k1g h ASP 50 Cb 1.05 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.55 2k1g h ASP 50 CO -0.10 0.83 0.00 0.79 -1.72 0.00 0.00 179.24 179.05 2k1g n TRP 51 N -3.74 0.92 -1.55 4.55 7.02 0.46 -4.95 117.44 120.15 2k1g n TRP 51 Ca -0.02 -0.59 -0.27 0.00 -1.02 0.00 0.00 57.50 55.60 2k1g n TRP 51 Cb 0.71 -0.13 -0.05 0.00 -2.42 0.00 0.00 31.31 29.41 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 0.73 0.79 -0.39 -0.99 5.02 0.10 -1.84 118.16 121.58 2k1g n LYS 52 Ca 0.19 -0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.14 2k1g n LYS 52 Cb 0.66 -3.44 0.00 0.00 -0.02 0.00 0.00 35.03 32.23 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 6.33 1.42 3.70 0.72 0.00 -1.20 -5.07 105.19 111.09 2k1g n GLY 53 Ca 0.43 -0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 2k1g n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1g s VAL 54 N -2.00 4.52 0.90 1.61 1.01 -0.76 -4.89 120.40 120.79 2k1g s VAL 54 Ca 0.00 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 63.69 2k1g s VAL 54 Cb 0.00 -4.16 0.14 0.00 0.00 0.00 0.00 36.38 32.35 2k1g s VAL 54 CO 0.00 0.05 1.13 0.00 0.00 0.00 0.00 175.10 176.28 2k1g s ARG 55 N 1.71 1.15 -0.18 2.72 1.70 -1.26 -1.54 118.95 123.25 2k1g s ARG 55 Ca 0.53 1.40 -0.25 0.00 -0.47 0.00 0.00 55.73 56.94 2k1g s ARG 55 Cb -0.23 -1.75 -0.01 0.00 -0.57 0.00 0.00 34.95 32.39 2k1g s ARG 55 CO 0.23 -2.49 0.82 -0.47 -1.08 0.00 0.00 175.30 172.31 2k1g s TYR 56 N -2.70 3.41 -0.03 5.89 5.04 -1.26 -0.80 117.35 126.90 2k1g s TYR 56 Ca 0.66 1.22 0.01 0.00 -2.44 0.00 0.00 57.07 56.51 2k1g s TYR 56 Cb -0.22 -3.00 0.02 0.00 0.35 0.00 0.00 41.96 39.12 2k1g s TYR 56 CO 0.58 -0.25 -0.01 0.50 -1.34 0.00 0.00 175.55 175.03 2k1g s ARG 57 N 2.20 0.42 -0.41 4.97 3.52 -0.62 -4.66 118.95 124.38 2k1g s ARG 57 Ca 0.37 0.02 -0.28 0.00 -0.13 0.00 0.00 55.73 55.71 2k1g s ARG 57 Cb -0.16 -0.55 0.02 0.00 -1.56 0.00 0.00 34.95 32.70 2k1g s ARG 57 CO 0.12 -0.11 1.07 -0.51 -0.81 0.00 0.00 175.30 175.06 2k1g s LEU 58 N 0.93 3.81 0.00 -0.88 1.02 -1.26 -0.84 118.68 121.45 2k1g s LEU 58 Ca -0.10 0.65 0.00 0.00 0.02 0.00 0.00 54.13 54.70 2k1g s LEU 58 Cb -0.13 -3.48 0.00 0.00 0.02 0.00 0.00 46.19 42.60 2k1g s LEU 58 CO -0.01 -1.06 0.00 0.61 0.02 0.00 0.00 176.35 175.91 2k1g n GLY 59 N 4.47 2.10 3.23 -3.19 0.00 -1.26 -4.89 105.19 105.66 2k1g n GLY 59 Ca 0.11 -0.35 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 2k1g n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1g n GLY 60 N 0.00 2.14 3.55 -0.02 0.00 -1.26 -4.90 105.19 104.71 2k1g n GLY 60 Ca 0.00 -1.12 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 2k1g n GLY 60 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k1g s SER 61 N 5.39 5.32 0.20 1.61 0.15 -1.26 -4.30 113.70 120.82 2k1g s SER 61 Ca 0.60 0.41 -0.14 0.00 0.70 0.00 0.00 55.95 57.52 2k1g s SER 61 Cb 0.11 -2.53 0.01 0.00 -1.71 0.00 0.00 66.02 61.90 2k1g s SER 61 CO 0.13 -2.32 0.46 0.28 1.20 0.00 0.00 173.24 172.98 2k1g s THR 62 N 8.90 0.03 -1.35 6.45 -1.32 -0.26 -5.01 115.64 123.07 2k1g s THR 62 Ca 0.68 -1.12 0.16 0.00 -1.21 0.00 0.00 61.69 60.20 2k1g s THR 62 Cb -0.13 -1.83 0.25 0.00 -1.51 0.00 0.00 72.50 69.27 2k1g s THR 62 CO 0.22 -0.13 1.46 0.29 -2.21 0.00 0.00 174.62 174.25 2k1g n LYS 63 N -0.32 0.18 -0.41 7.08 5.02 -1.26 -1.30 118.16 127.15 2k1g n LYS 63 Ca -0.07 0.15 0.09 0.00 -2.02 0.00 0.00 58.31 56.47 2k1g n LYS 63 Cb 0.62 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.42 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 -1.32 3.14 0.00 1.97 4.76 -1.26 -4.78 118.16 120.67 2k1g n LYS 64 Ca 0.07 -2.59 0.00 0.00 -2.87 0.00 0.00 58.31 52.91 2k1g n LYS 64 Cb 0.14 -1.62 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 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 0.96 3.16 3.44 0.72 0.00 -0.42 -4.69 105.19 108.37 2k1g n GLY 65 Ca 0.21 0.02 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 0.01 0.56 -0.61 2.07 0.02 -1.10 121.20 122.15 2k1g s ILE 66 Ca 0.00 -0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.23 2k1g s ILE 66 Cb 0.00 -0.99 0.07 0.00 0.13 0.00 0.00 42.46 41.67 2k1g s ILE 66 CO 0.00 -0.05 0.67 1.51 -1.91 0.00 0.00 174.94 175.15 2k1g s ASP 67 N -1.91 4.98 0.10 4.50 -4.77 -0.02 -1.59 116.67 117.95 2k1g s ASP 67 Ca -0.06 -0.95 -0.26 0.00 -3.30 0.00 0.00 52.55 47.98 2k1g s ASP 67 Cb -0.01 0.29 -0.12 0.00 -1.09 0.00 0.00 42.92 42.00 2k1g s ASP 67 CO -0.01 -1.25 1.68 0.00 0.70 0.00 0.00 175.17 176.30 2k1g h SER 69 N -0.35 0.68 -0.40 0.00 0.87 -1.89 -2.87 113.55 109.60 2k1g h SER 69 Ca 0.00 -0.45 0.02 0.00 -1.23 0.00 0.00 61.79 60.13 2k1g h SER 69 Cb 0.32 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2k1g h SER 69 CO -0.03 0.99 0.27 1.23 -0.53 0.00 0.00 176.83 178.75 2k1g h GLY 70 N 0.38 0.50 0.64 5.77 0.00 -1.75 -2.80 103.07 105.80 2k1g h GLY 70 Ca 0.05 -0.18 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2k1g h GLY 70 CO 0.06 0.16 -0.03 -2.75 0.00 0.00 0.00 176.54 173.98 2k1g h PHE 71 N 0.45 0.13 -0.55 5.60 3.57 -0.87 -2.63 116.94 122.63 2k1g h PHE 71 Ca 0.16 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 2k1g h PHE 71 Cb 0.08 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.76 2k1g h PHE 71 CO -0.00 0.50 0.29 -0.24 -2.23 0.00 0.00 178.31 176.63 2k1g h VAL 72 N -0.28 1.19 -0.59 1.41 3.04 -1.36 -1.17 116.25 118.49 2k1g h VAL 72 Ca 0.01 -0.51 -0.05 0.00 -1.01 0.00 0.00 66.70 65.14 2k1g h VAL 72 Cb 0.47 0.51 -0.03 0.00 -2.01 0.00 0.00 31.29 30.24 2k1g h VAL 72 CO 0.01 0.21 0.14 0.06 -1.01 0.00 0.00 177.57 176.98 2k1g h GLN 73 N 0.75 0.91 0.41 4.17 3.07 -1.57 -2.78 115.11 120.06 2k1g h GLN 73 Ca 0.19 -0.19 -0.02 0.00 0.09 0.00 0.00 58.65 58.72 2k1g h GLN 73 Cb 0.07 -0.13 0.00 0.00 0.08 0.00 0.00 27.48 27.50 2k1g h GLN 73 CO -0.03 0.81 -0.20 0.00 0.09 0.00 0.00 178.83 179.50 2k1g h ARG 74 N 0.87 -0.53 -0.86 0.06 2.47 -1.09 -2.80 114.38 112.50 2k1g h ARG 74 Ca 0.19 0.04 0.22 0.00 -1.26 0.00 0.00 59.98 59.17 2k1g h ARG 74 Cb 0.31 0.12 -0.15 0.00 -1.65 0.00 0.00 29.97 28.60 2k1g h ARG 74 CO -0.00 -0.36 0.10 1.15 0.56 0.00 0.00 179.97 181.42 2k1g h THR 75 N -0.55 0.25 -0.34 2.04 2.02 -1.18 0.16 112.91 115.30 2k1g h THR 75 Ca -0.06 -0.04 -0.09 0.00 0.77 0.00 0.00 66.41 66.99 2k1g h THR 75 Cb 0.43 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 2k1g h THR 75 CO 0.09 0.02 -0.14 -0.26 0.37 0.00 0.00 175.52 175.60 2k1g h PHE 76 N 0.12 0.79 -0.01 3.16 0.04 -1.57 -1.76 116.94 117.70 2k1g h PHE 76 Ca 0.51 -0.19 -0.13 0.00 2.80 0.00 0.00 57.97 60.97 2k1g h PHE 76 Cb 1.00 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.95 2k1g h PHE 76 CO -0.38 0.88 -0.60 0.07 -0.60 0.00 0.00 178.31 177.69 2k1g h ARG 77 N 0.47 0.02 0.04 1.51 0.11 -0.11 0.23 114.38 116.65 2k1g h ARG 77 Ca 0.08 -0.01 -0.00 0.00 0.10 0.00 0.00 59.98 60.14 2k1g h ARG 77 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 2k1g h ARG 77 CO 0.04 0.61 -0.02 0.93 0.10 0.00 0.00 179.97 181.64 2k1g h GLU 78 N 0.02 -0.05 0.00 0.08 4.39 -0.68 -2.97 114.58 115.36 2k1g h GLU 78 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2k1g h GLU 78 Cb 1.06 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.72 2k1g h GLU 78 CO 0.08 0.35 -0.34 1.96 -1.16 0.00 0.00 179.01 179.91 2k1g h GLN 79 N -0.47 0.00 -0.01 2.33 1.08 -1.36 -3.41 115.11 113.26 2k1g h GLN 79 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 2k1g h GLN 79 Cb 0.43 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.86 2k1g h GLN 79 CO 0.01 0.00 -0.20 1.19 -0.95 0.00 0.00 178.83 178.88 2k1g n PHE 80 N -4.27 0.00 -1.72 2.96 3.72 -0.04 -4.93 117.46 113.17 2k1g n PHE 80 Ca -0.05 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.21 2k1g n PHE 80 Cb 0.17 -0.06 -0.04 0.00 -0.94 0.00 0.00 39.48 38.61 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 1.31 0.87 3.56 1.37 0.00 0.60 -4.92 105.19 107.98 2k1g n GLY 81 Ca 0.14 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2k1g n GLY 81 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k1g s LEU 82 N -3.54 4.34 -0.56 0.99 2.96 -0.43 -4.78 118.68 117.66 2k1g s LEU 82 Ca 0.00 -0.05 -0.21 0.00 -0.22 0.00 0.00 54.13 53.65 2k1g s LEU 82 Cb 0.00 -2.48 0.06 0.00 0.50 0.00 0.00 46.19 44.27 2k1g s LEU 82 CO 0.00 -0.39 0.79 -1.61 -1.32 0.00 0.00 176.35 173.82 2k1g s GLU 83 N 2.22 3.17 0.21 1.98 2.02 -1.26 -1.60 118.70 125.43 2k1g s GLU 83 Ca 0.16 -0.75 -0.14 0.00 0.02 0.00 0.00 54.97 54.26 2k1g s GLU 83 Cb -0.16 -4.13 -0.08 0.00 0.10 0.00 0.00 34.13 29.87 2k1g s GLU 83 CO 0.12 -1.45 0.61 -0.51 0.02 0.00 0.00 175.26 174.05 2k1g s LEU 84 N 3.29 4.25 1.21 1.80 1.43 -1.26 -5.07 118.68 124.33 2k1g s LEU 84 Ca 0.20 1.13 -0.15 0.00 -1.03 0.00 0.00 54.13 54.28 2k1g s LEU 84 Cb -0.17 -3.55 0.29 0.00 0.03 0.00 0.00 46.19 42.79 2k1g s LEU 84 CO 0.13 -0.00 1.02 -2.16 0.23 0.00 0.00 176.35 175.57 2k1g s PRO 85 N -2.34 -1.28 0.02 1.29 0.04 -1.26 -4.80 135.00 126.67 2k1g s PRO 85 Ca 0.44 0.54 -0.23 0.00 0.04 0.00 0.00 61.00 61.78 2k1g s PRO 85 Cb -0.14 -1.54 -0.16 0.00 0.04 0.00 0.00 34.50 32.71 2k1g s PRO 85 CO 0.20 -3.89 1.39 -0.09 0.04 0.00 0.00 177.00 174.65 2k1g h ARG 86 N -2.73 0.15 -6.17 4.56 1.12 -1.97 -3.45 114.38 105.89 2k1g h ARG 86 Ca -0.56 -0.06 -0.67 0.00 -1.11 0.00 0.00 59.98 57.58 2k1g h ARG 86 Cb 1.34 -0.01 -0.15 0.00 -0.01 0.00 0.00 29.97 31.14 2k1g h ARG 86 CO 0.46 0.49 -0.66 -1.12 -3.11 0.00 0.00 179.97 176.04 2k1g s SER 87 N -5.75 5.01 0.29 -3.80 0.01 -1.26 -4.41 113.70 103.80 2k1g s SER 87 Ca -0.15 -0.03 0.04 0.00 1.31 0.00 0.00 55.95 57.12 2k1g s SER 87 Cb 0.04 -1.29 0.75 0.00 0.21 0.00 0.00 66.02 65.73 2k1g s SER 87 CO 0.70 0.29 1.66 0.71 0.41 0.00 0.00 173.24 177.01 2k1g h THR 88 N 3.63 0.35 -0.83 1.44 1.35 -1.87 0.70 112.91 117.68 2k1g h THR 88 Ca -0.49 -0.09 0.15 0.00 -0.55 0.00 0.00 66.41 65.43 2k1g h THR 88 Cb 1.18 0.06 -0.06 0.00 -1.73 0.00 0.00 68.15 67.60 2k1g h THR 88 CO 0.56 0.05 0.54 1.88 -0.25 0.00 0.00 175.52 178.30 2k1g h TYR 89 N 0.26 0.64 -0.07 4.73 0.05 -1.95 0.17 116.97 120.81 2k1g h TYR 89 Ca 0.57 0.02 -0.24 0.00 0.05 0.00 0.00 58.73 59.13 2k1g h TYR 89 Cb 1.16 -0.20 0.01 0.00 1.01 0.00 0.00 36.73 38.71 2k1g h TYR 89 CO -0.21 0.24 -0.90 0.93 -1.05 0.00 0.00 178.16 177.17 2k1g h GLU 90 N 0.55 0.68 -0.10 4.88 5.08 -1.27 -3.27 114.58 121.12 2k1g h GLU 90 Ca 0.41 -0.64 -0.03 0.00 -1.00 0.00 0.00 59.36 58.10 2k1g h GLU 90 Cb 0.80 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2k1g h GLU 90 CO -0.16 1.24 -0.10 1.96 -1.00 0.00 0.00 179.01 180.95 2k1g h GLN 91 N 0.42 0.15 -0.50 2.33 4.20 -0.21 -1.66 115.11 119.84 2k1g h GLN 91 Ca -0.09 -0.03 0.01 0.00 0.06 0.00 0.00 58.65 58.61 2k1g h GLN 91 Cb 1.54 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 29.27 2k1g h GLN 91 CO 0.18 0.25 0.33 1.96 -0.67 0.00 0.00 178.83 180.88 2k1g h GLN 92 N 0.14 0.64 -0.04 1.46 4.20 -1.12 -1.75 115.11 118.64 2k1g h GLN 92 Ca 0.03 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2k1g h GLN 92 Cb 0.27 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.90 2k1g h GLN 92 CO 0.01 0.42 0.00 0.39 -0.67 0.00 0.00 178.83 178.99 2k1g n GLU 93 N -4.46 1.11 -0.02 1.46 1.02 -0.63 -4.12 120.64 115.01 2k1g n GLU 93 Ca 0.05 -0.17 -0.01 0.00 -0.02 0.00 0.00 57.16 57.00 2k1g n GLU 93 Cb 0.06 -1.10 -0.00 0.00 -0.02 0.00 0.00 31.44 30.37 2k1g n GLU 93 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2k1g n MET 94 N -0.42 0.09 -2.50 3.49 2.81 -0.66 -5.04 117.12 114.89 2k1g n MET 94 Ca 0.05 0.09 -0.26 0.00 -1.81 0.00 0.00 57.70 55.77 2k1g n MET 94 Cb 0.06 -0.72 0.03 0.00 -0.71 0.00 0.00 33.22 31.87 2k1g n MET 94 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2k1g s GLY 95 N -3.24 1.60 0.24 3.03 0.00 -1.24 -4.98 107.32 102.73 2k1g s GLY 95 Ca -0.05 -0.75 -0.09 0.00 0.00 0.00 0.00 44.72 43.84 2k1g s GLY 95 CO 0.07 -0.49 0.55 0.54 0.00 0.00 0.00 173.10 173.77 2k1g s LYS 96 N -4.91 3.76 -0.29 2.90 -0.14 -1.22 -4.77 119.74 115.07 2k1g s LYS 96 Ca 0.53 0.22 -0.29 0.00 -1.36 0.00 0.00 55.97 55.07 2k1g s LYS 96 Cb -0.10 -2.65 0.00 0.00 -1.68 0.00 0.00 37.83 33.40 2k1g s LYS 96 CO 0.44 0.29 1.26 -1.54 -0.76 0.00 0.00 175.35 175.04 2k1g s SER 97 N -2.53 6.74 0.12 2.83 1.04 -1.26 -2.17 113.70 118.47 2k1g s SER 97 Ca 0.47 1.22 0.03 0.00 0.48 0.00 0.00 55.95 58.15 2k1g s SER 97 Cb -0.11 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.43 2k1g s SER 97 CO 0.23 -1.02 0.15 0.68 0.98 0.00 0.00 173.24 174.26 2k1g s VAL 98 N 4.18 4.73 0.45 5.02 -7.23 0.19 -4.96 120.40 122.77 2k1g s VAL 98 Ca 0.54 -0.83 0.05 0.00 -1.81 0.00 0.00 61.98 59.93 2k1g s VAL 98 Cb -0.16 -3.36 0.08 0.00 0.56 0.00 0.00 36.38 33.50 2k1g s VAL 98 CO 0.21 0.01 0.62 -0.24 -0.31 0.00 0.00 175.10 175.39 2k1g n SER 99 N -0.01 1.35 -0.09 4.85 2.88 -1.26 -3.23 113.62 118.10 2k1g n SER 99 Ca -0.08 -2.02 0.03 0.00 -1.33 0.00 0.00 58.87 55.47 2k1g n SER 99 Cb 0.53 -0.36 0.35 0.00 -0.75 0.00 0.00 64.21 63.99 2k1g n SER 99 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 2k1g h ARG 100 N 0.00 0.72 0.00 -1.46 -0.00 -1.99 0.08 114.38 111.74 2k1g h ARG 100 Ca -0.21 -0.04 0.00 0.00 -0.50 0.00 0.00 59.98 59.23 2k1g h ARG 100 Cb 0.89 -0.16 0.00 0.00 0.00 0.00 0.00 29.97 30.70 2k1g h ARG 100 CO 0.27 0.48 0.00 0.43 0.00 0.00 0.00 179.97 181.15 2k1g n SER 101 N -4.45 0.40 -0.38 7.04 7.64 -1.26 -3.17 113.62 119.43 2k1g n SER 101 Ca 0.06 0.56 0.09 0.00 1.01 0.00 0.00 58.87 60.58 2k1g n SER 101 Cb 0.06 -0.66 -0.01 0.00 -1.01 0.00 0.00 64.21 62.59 2k1g n SER 101 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2k1g n ASN 102 N -1.90 1.70 -4.68 6.43 4.13 -0.03 -5.00 115.26 115.91 2k1g n ASN 102 Ca 0.05 -1.35 -0.45 0.00 1.68 0.00 0.00 54.58 54.51 2k1g n ASN 102 Cb 0.31 0.51 -0.04 0.00 -1.54 0.00 0.00 39.78 39.02 2k1g n ASN 102 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 2k1g n LEU 103 N -0.17 3.57 -3.80 3.41 4.77 -0.90 -4.85 117.00 119.02 2k1g n LEU 103 Ca 0.07 1.02 -0.13 0.00 -0.03 0.00 0.00 56.01 56.94 2k1g n LEU 103 Cb 0.37 -1.46 -0.14 0.00 -2.33 0.00 0.00 43.42 39.86 2k1g n LEU 103 CO 0.24 -0.04 -0.29 -0.13 -1.33 0.00 0.00 177.39 175.84 2k1g s ARG 104 N 2.33 0.05 -0.93 3.23 0.52 -1.26 -5.08 118.95 117.81 2k1g s ARG 104 Ca 0.83 0.19 -0.26 0.00 -0.52 0.00 0.00 55.73 55.97 2k1g s ARG 104 Cb -0.60 -0.10 -0.22 0.00 0.52 0.00 0.00 34.95 34.55 2k1g s ARG 104 CO 0.41 -0.09 2.45 2.41 0.02 0.00 0.00 175.30 180.49 2k1g n THR 105 N 3.66 0.00 0.00 0.02 -1.04 -1.26 -2.02 114.28 113.64 2k1g n THR 105 Ca -0.20 -0.06 0.00 0.00 -2.04 0.00 0.00 64.05 61.75 2k1g n THR 105 Cb 0.55 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2k1g n THR 105 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k1g n GLY 106 N 5.94 -0.55 3.92 3.41 0.00 -0.13 -4.85 105.19 112.93 2k1g n GLY 106 Ca 0.62 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.37 2k1g n GLY 106 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k1g s ASP 107 N -0.00 6.31 -0.25 1.61 1.47 -0.86 -3.95 116.67 121.01 2k1g s ASP 107 Ca 0.00 0.77 -0.08 0.00 1.18 0.00 0.00 52.55 54.42 2k1g s ASP 107 Cb 0.00 -2.17 -0.03 0.00 -0.34 0.00 0.00 42.92 40.37 2k1g s ASP 107 CO 0.00 -0.43 0.09 -0.76 0.68 0.00 0.00 175.17 174.75 2k1g s LEU 108 N -4.40 3.58 -0.38 2.11 1.43 -0.17 -1.01 118.68 119.84 2k1g s LEU 108 Ca 0.45 -0.15 -0.18 0.00 -1.03 0.00 0.00 54.13 53.22 2k1g s LEU 108 Cb -0.10 -1.96 0.01 0.00 0.03 0.00 0.00 46.19 44.16 2k1g s LEU 108 CO 0.39 -0.02 0.49 0.68 0.23 0.00 0.00 176.35 178.12 2k1g s VAL 109 N 1.55 5.03 -0.27 -1.59 -7.23 -0.11 -0.13 120.40 117.65 2k1g s VAL 109 Ca 0.06 0.08 -0.18 0.00 -1.81 0.00 0.00 61.98 60.13 2k1g s VAL 109 Cb -0.15 -4.00 -0.02 0.00 0.56 0.00 0.00 36.38 32.77 2k1g s VAL 109 CO 0.05 -0.31 0.53 -0.76 -0.31 0.00 0.00 175.10 174.30 2k1g s LEU 110 N 2.33 4.07 0.15 1.32 1.43 0.25 -1.61 118.68 126.62 2k1g s LEU 110 Ca 0.16 0.49 0.06 0.00 -1.03 0.00 0.00 54.13 53.81 2k1g s LEU 110 Cb -0.16 -2.67 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 2k1g s LEU 110 CO 0.14 -0.31 0.02 -0.36 0.23 0.00 0.00 176.35 176.07 2k1g s PHE 111 N 2.34 2.94 -0.37 0.29 0.08 0.15 -1.31 117.98 122.10 2k1g s PHE 111 Ca 0.21 -0.09 -0.22 0.00 0.12 0.00 0.00 56.93 56.95 2k1g s PHE 111 Cb -0.16 -1.44 0.01 0.00 -0.57 0.00 0.00 43.02 40.86 2k1g s PHE 111 CO 0.10 0.51 0.75 1.03 -0.10 0.00 0.00 175.22 177.50 2k1g s ARG 112 N -2.81 3.68 0.58 0.44 0.52 0.17 -2.22 118.95 119.32 2k1g s ARG 112 Ca 0.28 0.19 -0.02 0.00 -0.52 0.00 0.00 55.73 55.66 2k1g s ARG 112 Cb -0.10 -3.83 0.03 0.00 0.52 0.00 0.00 34.95 31.58 2k1g s ARG 112 CO 0.19 -0.86 0.84 0.00 0.02 0.00 0.00 175.30 175.49 2k1g s ALA 113 N 3.03 3.61 0.33 2.13 0.00 -1.23 -4.83 121.76 124.80 2k1g s ALA 113 Ca 0.29 -1.12 0.08 0.00 0.00 0.00 0.00 51.96 51.22 2k1g s ALA 113 Cb -0.13 -2.29 0.79 0.00 0.00 0.00 0.00 23.12 21.49 2k1g s ALA 113 CO 0.17 -0.86 1.80 0.78 0.00 0.00 0.00 175.76 177.65 2k1g h GLY 114 N -0.10 1.56 -2.74 0.00 0.00 -1.97 -3.42 103.07 96.40 2k1g h GLY 114 Ca -0.44 -0.33 -0.45 0.00 0.00 0.00 0.00 47.33 46.11 2k1g h GLY 114 CO 0.56 -0.02 -0.36 -0.56 0.00 0.00 0.00 176.54 176.16 2k1g s SER 115 N -5.50 5.83 -0.43 0.19 0.01 -1.26 -5.03 113.70 107.51 2k1g s SER 115 Ca -0.11 -0.25 -0.27 0.00 1.31 0.00 0.00 55.95 56.63 2k1g s SER 115 Cb 0.24 -1.17 -0.05 0.00 0.21 0.00 0.00 66.02 65.25 2k1g s SER 115 CO 0.80 -0.42 2.24 0.42 0.41 0.00 0.00 173.24 176.68 2k1g s THR 116 N -2.20 3.10 0.00 1.44 -4.23 -1.26 -4.84 115.64 107.64 2k1g s THR 116 Ca 0.44 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 61.03 2k1g s THR 116 Cb -0.09 -3.20 0.00 0.00 1.34 0.00 0.00 72.50 70.55 2k1g s THR 116 CO 0.30 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 2k1g n GLY 117 N 5.86 1.97 3.59 3.99 0.00 -1.26 -5.09 105.19 114.25 2k1g n GLY 117 Ca 0.32 -0.88 -0.38 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.00 3.96 -0.24 1.61 1.81 -1.26 -3.54 118.95 119.28 2k1g s ARG 118 Ca 0.00 -0.22 -0.11 0.00 -1.72 0.00 0.00 55.73 53.68 2k1g s ARG 118 Cb 0.00 -3.66 -0.05 0.00 -0.45 0.00 0.00 34.95 30.79 2k1g s ARG 118 CO 0.00 -0.22 0.18 -1.58 -0.68 0.00 0.00 175.30 173.00 2k1g s HIS 119 N 1.86 3.30 0.01 -0.53 5.65 -0.94 -4.82 115.29 119.83 2k1g s HIS 119 Ca 0.09 0.24 0.03 0.00 0.25 0.00 0.00 55.06 55.67 2k1g s HIS 119 Cb -0.16 -2.30 -0.03 0.00 -1.18 0.00 0.00 32.58 28.90 2k1g s HIS 119 CO 0.11 0.03 -0.05 0.54 -0.65 0.00 0.00 174.74 174.71 2k1g s VAL 120 N 1.18 3.77 0.06 0.89 0.11 -1.26 -0.68 120.40 124.48 2k1g s VAL 120 Ca 0.08 -0.78 0.04 0.00 -2.93 0.00 0.00 61.98 58.40 2k1g s VAL 120 Cb -0.14 -2.67 -0.03 0.00 -1.53 0.00 0.00 36.38 32.02 2k1g s VAL 120 CO 0.06 0.35 -0.12 -0.83 -3.33 0.00 0.00 175.10 171.23 2k1g s GLY 121 N -1.56 0.75 -0.51 6.54 0.00 -0.64 -4.63 107.32 107.28 2k1g s GLY 121 Ca 0.18 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.80 2k1g s GLY 121 CO 0.09 -0.90 0.78 -0.42 0.00 0.00 0.00 173.10 172.65 2k1g s ILE 122 N -1.16 4.63 -0.33 0.90 1.01 -0.02 -0.93 121.20 125.29 2k1g s ILE 122 Ca -0.03 0.01 -0.29 0.00 0.00 0.00 0.00 60.65 60.35 2k1g s ILE 122 Cb -0.09 -4.40 -0.01 0.00 0.01 0.00 0.00 42.46 37.97 2k1g s ILE 122 CO 0.02 -0.91 1.59 -0.47 0.00 0.00 0.00 174.94 175.17 2k1g s TYR 123 N 3.30 2.13 -0.40 3.97 5.04 -0.18 -2.18 117.35 129.03 2k1g s TYR 123 Ca 0.24 0.64 0.22 0.00 -2.44 0.00 0.00 57.07 55.73 2k1g s TYR 123 Cb -0.15 -4.15 -0.10 0.00 0.35 0.00 0.00 41.96 37.91 2k1g s TYR 123 CO 0.17 -2.53 0.86 0.44 -1.34 0.00 0.00 175.55 173.14 2k1g n ILE 124 N 7.01 0.19 0.00 3.14 -5.35 -0.67 -0.95 119.36 122.73 2k1g n ILE 124 Ca 0.19 -0.36 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 2k1g n ILE 124 Cb 0.47 0.11 0.00 0.00 -1.74 0.00 0.00 39.64 38.48 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 1.31 3.27 2.74 3.28 0.00 -1.13 -4.58 105.19 110.08 2k1g n GLY 125 Ca -0.00 -1.90 -0.21 0.00 0.00 0.00 0.00 46.02 43.92 2k1g n GLY 125 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k1g n ASN 126 N 0.00 -5.61 -0.15 1.61 5.03 -1.26 -0.66 115.26 114.22 2k1g n ASN 126 Ca 0.00 -0.14 -0.02 0.00 0.87 0.00 0.00 54.58 55.29 2k1g n ASN 126 Cb 0.00 -4.61 -0.01 0.00 -1.02 0.00 0.00 39.78 34.14 2k1g n ASN 126 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 2k1g n ASN 127 N -2.23 -5.12 -4.89 6.41 3.02 -1.26 -4.94 115.26 106.25 2k1g n ASN 127 Ca -0.16 0.05 -0.35 0.00 -0.03 0.00 0.00 54.58 54.09 2k1g n ASN 127 Cb 0.64 -2.80 -0.05 0.00 -0.61 0.00 0.00 39.78 36.96 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 -1.68 3.41 0.00 3.52 -0.21 0.16 -0.45 119.66 124.42 2k1g s GLN 128 Ca 0.00 -0.26 -0.19 0.00 0.02 0.00 0.00 55.36 54.94 2k1g s GLN 128 Cb 0.00 -3.12 0.04 0.00 1.00 0.00 0.00 33.01 30.93 2k1g s GLN 128 CO 0.00 0.71 0.41 -0.59 -2.12 0.00 0.00 175.29 173.71 2k1g s PHE 129 N -1.20 -0.29 -0.07 0.91 -0.12 -0.52 -1.67 117.98 115.02 2k1g s PHE 129 Ca 0.22 0.39 -0.03 0.00 -0.05 0.00 0.00 56.93 57.46 2k1g s PHE 129 Cb -0.12 0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 42.43 2k1g s PHE 129 CO 0.13 -0.50 0.09 0.54 -0.05 0.00 0.00 175.22 175.42 2k1g s VAL 130 N -1.78 4.94 0.03 -2.49 0.11 -0.93 -1.26 120.40 119.03 2k1g s VAL 130 Ca -0.10 -0.12 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 2k1g s VAL 130 Cb -0.02 -3.17 0.00 0.00 -1.53 0.00 0.00 36.38 31.65 2k1g s VAL 130 CO 0.02 0.52 0.05 0.00 -3.33 0.00 0.00 175.10 172.37 2k1g n HIS 131 N 1.72 -0.97 -3.76 1.54 1.44 -0.34 -0.84 115.22 114.02 2k1g n HIS 131 Ca -0.17 -0.15 -0.28 0.00 -2.01 0.00 0.00 57.72 55.11 2k1g n HIS 131 Cb 0.54 0.06 -0.16 0.00 0.12 0.00 0.00 29.99 30.55 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 -1.21 1.22 0.32 1.59 0.00 -1.26 -0.58 121.76 121.84 2k1g s ALA 132 Ca 0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 50.97 2k1g s ALA 132 Cb -0.00 -1.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.78 2k1g s ALA 132 CO 0.01 -1.26 0.59 -1.54 0.00 0.00 0.00 175.76 173.56 2k1g s SER 133 N 1.76 6.44 0.00 0.00 1.04 0.25 -3.61 113.70 119.58 2k1g s SER 133 Ca 0.00 0.76 0.10 0.00 0.48 0.00 0.00 55.95 57.29 2k1g s SER 133 Cb -0.17 -2.16 0.58 0.00 0.10 0.00 0.00 66.02 64.37 2k1g s SER 133 CO -0.11 -0.24 1.13 0.35 0.98 0.00 0.00 173.24 175.35 2k1g n THR 134 N -1.09 0.32 -0.02 2.02 -2.24 -1.26 -1.12 114.28 110.88 2k1g n THR 134 Ca -0.01 0.08 -0.02 0.00 -2.27 0.00 0.00 64.05 61.83 2k1g n THR 134 Cb 0.54 -0.91 -0.01 0.00 -2.10 0.00 0.00 70.33 67.85 2k1g n THR 134 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k1g n SER 135 N -1.12 0.48 -0.26 3.42 2.88 -1.26 -4.80 113.62 112.96 2k1g n SER 135 Ca 0.07 0.15 0.08 0.00 -1.33 0.00 0.00 58.87 57.84 2k1g n SER 135 Cb 0.05 -0.57 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 2k1g n SER 135 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2k1g n SER 136 N -2.96 1.40 0.00 -3.46 7.64 -1.24 -4.83 113.62 110.17 2k1g n SER 136 Ca -0.03 -1.20 0.00 0.00 1.01 0.00 0.00 58.87 58.65 2k1g n SER 136 Cb 0.12 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.96 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 1.26 0.46 3.59 0.23 0.00 -0.27 -4.40 105.19 106.06 2k1g n GLY 137 Ca 0.06 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 3.52 0.34 1.61 1.01 -0.59 -0.58 120.40 125.70 2k1g s VAL 138 Ca 0.00 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.52 2k1g s VAL 138 Cb 0.00 -3.75 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2k1g s VAL 138 CO 0.00 -0.51 0.37 0.27 0.00 0.00 0.00 175.10 175.22 2k1g s ILE 139 N 6.96 0.00 0.08 2.22 -4.36 0.26 -3.26 121.20 123.10 2k1g s ILE 139 Ca 0.76 -1.83 0.04 0.00 -0.26 0.00 0.00 60.65 59.36 2k1g s ILE 139 Cb -0.20 -2.57 -0.04 0.00 1.25 0.00 0.00 42.46 40.90 2k1g s ILE 139 CO 0.32 0.00 0.05 -0.63 0.24 0.00 0.00 174.94 174.92 2k1g s ILE 140 N -3.24 4.32 0.26 8.37 -1.09 -1.26 -1.20 121.20 127.36 2k1g s ILE 140 Ca 0.37 -0.85 -0.08 0.00 -2.23 0.00 0.00 60.65 57.85 2k1g s ILE 140 Cb 0.01 -3.07 -0.01 0.00 -1.58 0.00 0.00 42.46 37.81 2k1g s ILE 140 CO 0.25 0.13 0.42 -0.44 -1.23 0.00 0.00 174.94 174.07 2k1g s SER 141 N -2.34 0.19 0.02 3.58 0.01 -0.39 -4.98 113.70 109.79 2k1g s SER 141 Ca 0.28 -1.15 0.05 0.00 1.31 0.00 0.00 55.95 56.44 2k1g s SER 141 Cb -0.12 0.57 -0.02 0.00 0.21 0.00 0.00 66.02 66.67 2k1g s SER 141 CO 0.20 -1.14 -0.14 -0.44 0.41 0.00 0.00 173.24 172.13 2k1g s SER 142 N -3.10 1.70 0.56 2.44 0.01 -1.26 -1.44 113.70 112.63 2k1g s SER 142 Ca 0.27 -0.36 0.24 0.00 1.31 0.00 0.00 55.95 57.41 2k1g s SER 142 Cb 0.01 -0.15 1.61 0.00 0.21 0.00 0.00 66.02 67.70 2k1g s SER 142 CO 0.12 0.11 2.21 0.24 0.41 0.00 0.00 173.24 176.33 2k1g h MET 143 N 5.34 0.00 -0.09 12.44 2.86 -1.12 -1.92 114.93 132.44 2k1g h MET 143 Ca -0.36 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.28 2k1g h MET 143 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2k1g h MET 143 CO 0.46 0.00 0.00 0.09 1.06 0.00 0.00 176.91 178.52 2k1g n ASN 144 N -4.11 1.00 -4.69 1.22 5.03 -1.26 -3.09 115.26 109.36 2k1g n ASN 144 Ca -0.03 -1.55 -0.42 0.00 0.87 0.00 0.00 54.58 53.45 2k1g n ASN 144 Cb 0.10 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.77 2k1g n ASN 144 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 2k1g s GLU 145 N -1.89 4.42 0.25 3.52 2.02 -0.72 -4.87 118.70 121.43 2k1g s GLU 145 Ca 0.32 1.28 -0.07 0.00 0.02 0.00 0.00 54.97 56.52 2k1g s GLU 145 Cb 0.16 -3.53 0.41 0.00 0.10 0.00 0.00 34.13 31.28 2k1g s GLU 145 CO 0.26 -0.26 1.42 -2.30 0.02 0.00 0.00 175.26 174.40 2k1g n PRO 146 N 4.83 -0.09 -0.25 0.39 -0.02 -1.26 -0.63 135.00 137.98 2k1g n PRO 146 Ca 0.07 1.42 -0.05 0.00 -2.02 0.00 0.00 63.50 62.91 2k1g n PRO 146 Cb 0.49 -2.11 0.05 0.00 -0.02 0.00 0.00 33.50 31.91 2k1g n PRO 146 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 2k1g h TYR 147 N 0.00 0.88 0.18 6.00 3.20 -1.95 -2.78 116.97 122.50 2k1g h TYR 147 Ca 0.43 0.01 -0.27 0.00 3.14 0.00 0.00 58.73 62.04 2k1g h TYR 147 Cb 0.66 -0.29 0.02 0.00 1.54 0.00 0.00 36.73 38.66 2k1g h TYR 147 CO -0.70 0.57 -1.23 -1.49 -1.64 0.00 0.00 178.16 173.68 2k1g h TRP 148 N 0.93 0.71 0.11 -3.82 4.06 -1.23 -3.21 115.95 113.50 2k1g h TRP 148 Ca 0.25 -0.52 0.02 0.00 2.06 0.00 0.00 58.89 60.70 2k1g h TRP 148 Cb -0.07 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 28.02 2k1g h TRP 148 CO -0.02 1.47 -0.32 -0.22 -3.56 0.00 0.00 178.44 175.79 2k1g h LYS 149 N -0.13 -0.52 0.00 0.49 3.64 -0.80 -0.07 116.57 119.18 2k1g h LYS 149 Ca -0.23 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 2k1g h LYS 149 Cb 1.89 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.83 2k1g h LYS 149 CO 0.19 -0.35 -0.02 0.36 -2.27 0.00 0.00 179.45 177.36 2k1g n LYS 150 N -5.42 0.09 0.00 1.90 2.85 -1.06 -3.06 118.16 113.47 2k1g n LYS 150 Ca -0.06 0.07 0.12 0.00 -1.05 0.00 0.00 58.31 57.39 2k1g n LYS 150 Cb 0.33 -1.61 0.06 0.00 -0.65 0.00 0.00 35.03 33.16 2k1g n LYS 150 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2k1g n ARG 151 N -1.77 1.81 -1.69 -1.58 5.12 -0.95 -4.97 116.66 112.63 2k1g n ARG 151 Ca 0.06 -1.49 -0.44 0.00 -1.93 0.00 0.00 57.85 54.06 2k1g n ARG 151 Cb 0.37 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 30.17 2k1g n ARG 151 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2k1g n TYR 152 N 0.70 2.54 -0.08 -1.55 9.36 -0.08 -0.65 117.16 127.40 2k1g n TYR 152 Ca 0.12 -0.01 -0.09 0.00 3.32 0.00 0.00 57.90 61.23 2k1g n TYR 152 Cb 0.54 -2.68 -0.03 0.00 -0.63 0.00 0.00 39.34 36.54 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 5.00 1.86 -3.61 2.98 5.15 -0.42 -4.88 115.26 121.34 2k1g n ASN 153 Ca 0.18 0.31 -0.09 0.00 -0.60 0.00 0.00 54.58 54.38 2k1g n ASN 153 Cb 0.34 -0.71 -0.06 0.00 -0.53 0.00 0.00 39.78 38.83 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 -2.81 0.52 0.00 1.20 -1.05 -1.07 -5.04 118.70 110.46 2k1g s GLU 154 Ca -0.27 0.31 -0.02 0.00 -0.15 0.00 0.00 54.97 54.85 2k1g s GLU 154 Cb 0.04 0.25 -0.04 0.00 -0.44 0.00 0.00 34.13 33.94 2k1g s GLU 154 CO 0.39 -0.12 0.18 0.00 0.95 0.00 0.00 175.26 176.66 2k1g s ALA 155 N -0.53 3.93 -0.12 -0.84 0.00 -1.20 -0.59 121.76 122.41 2k1g s ALA 155 Ca 0.01 -0.79 -0.04 0.00 0.00 0.00 0.00 51.96 51.15 2k1g s ALA 155 Cb -0.02 -1.85 0.06 0.00 0.00 0.00 0.00 23.12 21.31 2k1g s ALA 155 CO -0.03 0.76 0.15 1.03 0.00 0.00 0.00 175.76 177.67 2k1g s ARG 156 N -2.01 0.06 -0.18 0.00 0.52 0.82 0.54 118.95 118.70 2k1g s ARG 156 Ca 0.28 0.32 -0.28 0.00 -0.52 0.00 0.00 55.73 55.54 2k1g s ARG 156 Cb -0.13 -0.84 -0.00 0.00 0.52 0.00 0.00 34.95 34.50 2k1g s ARG 156 CO 0.20 -0.46 0.97 -0.98 0.02 0.00 0.00 175.30 175.04 2k1g s ARG 157 N 2.25 4.30 0.02 3.54 3.03 -0.92 -1.00 118.95 130.17 2k1g s ARG 157 Ca 0.04 1.25 0.22 0.00 2.03 0.00 0.00 55.73 59.27 2k1g s ARG 157 Cb -0.14 -3.60 -0.27 0.00 -1.03 0.00 0.00 34.95 29.91 2k1g s ARG 157 CO -0.07 -0.47 0.59 1.33 -1.13 0.00 0.00 175.30 175.55 2k1g n VAL 158 N 4.98 0.15 -1.98 4.99 0.24 -1.25 -3.43 118.33 122.02 2k1g n VAL 158 Ca 0.09 -0.51 -0.41 0.00 -2.04 0.00 0.00 64.34 61.47 2k1g n VAL 158 Cb 0.47 -0.08 -0.03 0.00 -1.47 0.00 0.00 33.84 32.74 2k1g n VAL 158 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2k1g s LEU 159 N -4.70 3.41 0.54 1.34 1.43 -1.26 -4.83 118.68 114.60 2k1g s LEU 159 Ca -0.07 0.88 0.34 0.00 -1.03 0.00 0.00 54.13 54.26 2k1g s LEU 159 Cb 0.13 -3.02 1.47 0.00 0.03 0.00 0.00 46.19 44.79 2k1g s LEU 159 CO 0.88 -2.08 2.01 0.77 0.23 0.00 0.00 176.35 178.16 2k1g h SER 160 N 14.26 0.00 -2.93 2.29 4.64 -1.97 -3.44 113.55 126.40 2k1g h SER 160 Ca -0.30 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.49 2k1g h SER 160 Cb 1.17 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2k1g h SER 160 CO 1.12 0.00 0.80 -0.13 -0.87 0.00 0.00 176.83 177.75 2k1g s ARG 161 N -3.70 4.29 0.33 4.77 0.52 -1.26 -5.03 118.95 118.87 2k1g s ARG 161 Ca 0.01 2.02 0.04 0.00 -0.52 0.00 0.00 55.73 57.28 2k1g s ARG 161 Cb 0.09 -3.47 -0.06 0.00 0.52 0.00 0.00 34.95 32.04 2k1g s ARG 161 CO 0.51 -0.53 0.07 -1.54 0.02 0.00 0.00 175.30 173.82 2k1g s SER 162 N 1.66 2.34 1.23 0.23 1.04 -1.26 -5.16 113.70 113.77 2k1g s SER 162 Ca 0.65 -1.41 -0.20 0.00 0.48 0.00 0.00 55.95 55.47 2k1g s SER 162 Cb -0.34 -0.01 0.30 0.00 0.10 0.00 0.00 66.02 66.07 2k1g s SER 162 CO 0.28 -0.65 1.09 -1.48 0.98 0.00 0.00 173.24 173.47 2k1g s LEU 163 N -3.49 0.48 0.00 2.42 2.34 -1.26 -5.22 118.68 113.96 2k1g s LEU 163 Ca 0.35 0.63 0.15 0.00 0.06 0.00 0.00 54.13 55.32 2k1g s LEU 163 Cb 0.08 -2.31 0.87 0.00 -0.56 0.00 0.00 46.19 44.28 2k1g s LEU 163 CO 0.15 -4.30 1.29 -1.84 -1.06 0.00 0.00 176.35 170.60