#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco n GLY 2 N 0.00 2.95 3.56 -5.12 0.00 -1.26 -4.99 105.19 100.33 2kco n GLY 2 Ca 0.00 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 2kco n GLY 2 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kco s PHE 3 N 0.00 1.93 -0.70 1.61 0.08 -1.26 -4.92 117.98 114.72 2kco s PHE 3 Ca 0.00 0.38 -0.26 0.00 0.12 0.00 0.00 56.93 57.17 2kco s PHE 3 Cb 0.00 -4.14 -0.04 0.00 -0.57 0.00 0.00 43.02 38.27 2kco s PHE 3 CO 0.00 -1.71 1.99 -0.47 -0.10 0.00 0.00 175.22 174.93 2kco s TYR 4 N 9.42 1.60 0.59 0.36 5.04 -1.26 -4.97 117.35 128.14 2kco s TYR 4 Ca 0.66 0.91 -0.05 0.00 -2.44 0.00 0.00 57.07 56.15 2kco s TYR 4 Cb -0.05 -3.97 0.01 0.00 0.35 0.00 0.00 41.96 38.30 2kco s TYR 4 CO -0.00 -2.10 0.89 1.14 -1.34 0.00 0.00 175.55 174.13 2kco s GLN 5 N 7.30 2.86 -0.62 4.97 -2.07 -1.26 -5.08 119.66 125.77 2kco s GLN 5 Ca 0.73 -0.09 0.05 0.00 -1.82 0.00 0.00 55.36 54.23 2kco s GLN 5 Cb -0.11 -2.29 0.17 0.00 -1.09 0.00 0.00 33.01 29.68 2kco s GLN 5 CO 0.14 -0.71 0.44 0.20 -1.32 0.00 0.00 175.29 174.04 2kco s GLY 6 N -4.32 2.47 -0.74 2.60 0.00 -1.26 -5.08 107.32 101.00 2kco s GLY 6 Ca 0.54 -3.45 -0.26 0.00 0.00 0.00 0.00 44.72 41.54 2kco s GLY 6 CO 0.44 1.34 1.43 2.56 0.00 0.00 0.00 173.10 178.87 2kco s PRO 7 N -0.99 3.09 -0.36 2.90 0.04 -1.26 -4.97 135.00 133.45 2kco s PRO 7 Ca 0.26 -0.14 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 2kco s PRO 7 Cb -0.04 -4.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.14 2kco s PRO 7 CO -0.16 -2.31 1.67 -0.51 0.04 0.00 0.00 177.00 175.73 2kco s ASP 8 N 4.87 6.05 0.62 6.66 1.11 -1.26 -5.00 116.67 129.71 2kco s ASP 8 Ca 0.44 1.14 -0.16 0.00 0.18 0.00 0.00 52.55 54.15 2kco s ASP 8 Cb -0.08 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.36 2kco s ASP 8 CO 0.14 -1.61 1.10 0.54 1.18 0.00 0.00 175.17 176.52 2kco s ASN 9 N 5.34 5.37 -0.22 0.27 2.20 -1.26 -5.05 114.94 121.59 2kco s ASN 9 Ca 0.73 2.00 -0.02 0.00 -0.94 0.00 0.00 52.86 54.64 2kco s ASN 9 Cb -0.19 -2.55 0.01 0.00 -2.00 0.00 0.00 41.25 36.51 2kco s ASN 9 CO 0.33 -1.45 -0.10 -0.13 -2.94 0.00 0.00 177.10 172.81 2kco s ARG 10 N -3.92 3.05 -0.39 3.55 0.52 -1.26 -5.07 118.95 115.44 2kco s ARG 10 Ca 0.67 -0.82 -0.31 0.00 -0.52 0.00 0.00 55.73 54.76 2kco s ARG 10 Cb -0.20 -2.87 -0.09 0.00 0.52 0.00 0.00 34.95 32.31 2kco s ARG 10 CO 0.37 -0.28 2.29 1.63 0.02 0.00 0.00 175.30 179.34 2kco n LYS 11 N 4.69 1.26 -2.13 3.54 4.76 -1.26 -4.89 118.16 124.13 2kco n LYS 11 Ca -0.18 0.28 -0.43 0.00 -2.87 0.00 0.00 58.31 55.10 2kco n LYS 11 Cb 0.49 -2.85 -0.02 0.00 -1.84 0.00 0.00 35.03 30.80 2kco n LYS 11 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2kco s ILE 12 N 8.87 3.67 -0.02 -0.18 1.01 -1.26 -4.97 121.20 128.32 2kco s ILE 12 Ca 1.06 0.72 -0.30 0.00 0.00 0.00 0.00 60.65 62.13 2kco s ILE 12 Cb -0.57 -3.80 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 2kco s ILE 12 CO 0.40 -0.44 1.65 0.28 0.00 0.00 0.00 174.94 176.83 2kco s THR 13 N 5.85 3.47 0.48 2.92 -1.32 -1.26 -5.00 115.64 120.78 2kco s THR 13 Ca 0.72 0.66 -0.19 0.00 -1.21 0.00 0.00 61.69 61.67 2kco s THR 13 Cb -0.21 -3.43 -0.09 0.00 -1.51 0.00 0.00 72.50 67.26 2kco s THR 13 CO 0.31 -0.05 0.99 -0.83 -2.21 0.00 0.00 174.62 172.84 2kco s GLY 14 N 3.14 2.31 0.36 6.08 0.00 -1.26 -5.04 107.32 112.91 2kco s GLY 14 Ca 0.74 0.39 -0.27 0.00 0.00 0.00 0.00 44.72 45.57 2kco s GLY 14 CO 0.30 0.68 1.23 -0.32 0.00 0.00 0.00 173.10 174.99 2kco s GLY 15 N -2.42 2.95 -0.33 0.20 0.00 -1.26 -5.03 107.32 101.43 2kco s GLY 15 Ca 0.62 1.10 -0.04 0.00 0.00 0.00 0.00 44.72 46.40 2kco s GLY 15 CO 0.21 1.68 0.07 1.08 0.00 0.00 0.00 173.10 176.14 2kco s LEU 16 N -2.10 4.23 -0.26 0.66 1.43 -1.26 -5.05 118.68 116.32 2kco s LEU 16 Ca 0.53 -1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 52.34 2kco s LEU 16 Cb -0.35 -1.80 0.15 0.00 0.03 0.00 0.00 46.19 44.22 2kco s LEU 16 CO 0.45 -0.32 0.41 -0.75 0.23 0.00 0.00 176.35 176.38 2kco s LYS 17 N 1.32 0.39 0.57 1.70 2.20 -1.26 -5.16 119.74 119.50 2kco s LYS 17 Ca -0.02 0.45 -0.17 0.00 -0.36 0.00 0.00 55.97 55.86 2kco s LYS 17 Cb -0.20 -0.31 -0.05 0.00 -1.51 0.00 0.00 37.83 35.76 2kco s LYS 17 CO 0.01 -0.78 1.07 0.20 -0.36 0.00 0.00 175.35 175.49 2kco s GLY 18 N 2.58 2.31 -0.32 5.54 0.00 -1.26 -5.02 107.32 111.15 2kco s GLY 18 Ca 0.12 0.54 -0.27 0.00 0.00 0.00 0.00 44.72 45.11 2kco s GLY 18 CO -0.21 0.87 0.96 1.25 0.00 0.00 0.00 173.10 175.97 2kco s LYS 19 N -3.73 3.99 -0.03 2.90 2.47 -1.26 -5.03 119.74 119.05 2kco s LYS 19 Ca 0.66 0.84 -0.30 0.00 -1.56 0.00 0.00 55.97 55.61 2kco s LYS 19 Cb -0.18 -3.75 -0.04 0.00 -1.46 0.00 0.00 37.83 32.40 2kco s LYS 19 CO 0.32 -0.84 1.33 -3.38 0.16 0.00 0.00 175.35 172.93 2kco s HIS 20 N 3.41 2.94 -1.07 4.03 -3.43 -1.26 -4.96 115.29 114.95 2kco s HIS 20 Ca 0.40 0.95 -0.20 0.00 -0.80 0.00 0.00 55.06 55.41 2kco s HIS 20 Cb -0.13 -3.58 0.09 0.00 -1.43 0.00 0.00 32.58 27.54 2kco s HIS 20 CO 0.15 -2.06 1.40 1.03 -2.00 0.00 0.00 174.74 173.27 2kco s ARG 21 N 2.45 3.73 0.60 -0.38 1.81 -1.26 -5.00 118.95 120.90 2kco s ARG 21 Ca 0.61 -1.66 -0.17 0.00 -1.72 0.00 0.00 55.73 52.79 2kco s ARG 21 Cb -0.29 -5.22 -0.03 0.00 -0.45 0.00 0.00 34.95 28.96 2kco s ARG 21 CO 0.24 -2.03 1.11 0.34 -0.68 0.00 0.00 175.30 174.28 2kco s ASP 22 N 4.17 5.48 0.53 0.23 2.15 -1.26 -5.02 116.67 122.94 2kco s ASP 22 Ca 0.43 2.03 -0.18 0.00 0.43 0.00 0.00 52.55 55.26 2kco s ASP 22 Cb -0.01 -2.56 -0.06 0.00 -0.30 0.00 0.00 42.92 39.99 2kco s ASP 22 CO -0.05 -1.38 1.05 -1.59 -0.17 0.00 0.00 175.17 173.03 2kco s LYS 23 N -3.76 3.59 -0.03 4.34 0.00 -1.26 -5.03 119.74 117.59 2kco s LYS 23 Ca 0.69 1.32 -0.28 0.00 0.00 0.00 0.00 55.97 57.70 2kco s LYS 23 Cb -0.21 -2.06 -0.03 0.00 0.00 0.00 0.00 37.83 35.53 2kco s LYS 23 CO 0.35 -0.60 0.88 1.03 0.00 0.00 0.00 175.35 177.00 2kco s ARG 24 N -3.55 4.50 -0.12 1.78 3.00 -1.26 -4.96 118.95 118.34 2kco s ARG 24 Ca 0.66 1.22 -0.00 0.00 0.00 0.00 0.00 55.73 57.61 2kco s ARG 24 Cb -0.17 -3.46 0.11 0.00 0.00 0.00 0.00 34.95 31.43 2kco s ARG 24 CO 0.27 -0.03 1.75 1.63 0.00 0.00 0.00 175.30 178.92 2kco n LYS 25 N 3.94 1.32 -3.08 3.54 4.76 -1.26 -4.71 118.16 122.67 2kco n LYS 25 Ca 0.03 -0.66 -0.45 0.00 -2.87 0.00 0.00 58.31 54.36 2kco n LYS 25 Cb 0.51 -1.26 -0.04 0.00 -1.84 0.00 0.00 35.03 32.40 2kco n LYS 25 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 2kco s TYR 26 N -0.76 3.07 -0.35 2.13 1.51 -1.26 -5.03 117.35 116.66 2kco s TYR 26 Ca 0.13 -1.10 -0.28 0.00 -1.01 0.00 0.00 57.07 54.80 2kco s TYR 26 Cb 0.10 -4.06 -0.02 0.00 -0.11 0.00 0.00 41.96 37.87 2kco s TYR 26 CO 0.01 -1.32 1.84 -1.21 -1.11 0.00 0.00 175.55 173.75 2kco s GLU 27 N 2.53 3.25 0.21 -0.62 8.01 -1.26 -4.94 118.70 125.88 2kco s GLU 27 Ca 0.16 1.40 -0.32 0.00 0.01 0.00 0.00 54.97 56.22 2kco s GLU 27 Cb -0.19 -4.23 -0.13 0.00 -4.31 0.00 0.00 34.13 25.27 2kco s GLU 27 CO 0.03 -1.96 1.62 -0.89 0.01 0.00 0.00 175.26 174.07 2kco n ILE 28 N 7.43 0.25 0.00 -1.63 5.41 -1.26 -3.58 119.36 125.98 2kco n ILE 28 Ca 0.23 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.92 2kco n ILE 28 Cb 0.47 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.63 2kco n ILE 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2kco n GLY 29 N 3.32 0.90 3.69 7.39 0.00 -1.26 -5.09 105.19 114.14 2kco n GLY 29 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2kco n GLY 29 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kco s ASN 30 N -1.75 6.67 0.39 1.61 3.84 -1.24 -5.03 114.94 119.43 2kco s ASN 30 Ca 0.00 2.38 -0.06 0.00 0.21 0.00 0.00 52.86 55.39 2kco s ASN 30 Cb 0.00 -2.56 -0.05 0.00 -0.55 0.00 0.00 41.25 38.09 2kco s ASN 30 CO 0.00 -0.85 0.68 -2.16 -2.79 0.00 0.00 177.10 171.98 2kco s PRO 31 N 2.68 3.63 -0.56 0.43 0.04 -1.26 -5.04 135.00 134.92 2kco s PRO 31 Ca 0.71 0.15 -0.27 0.00 0.04 0.00 0.00 61.00 61.63 2kco s PRO 31 Cb -0.37 -2.50 -0.01 0.00 0.04 0.00 0.00 34.50 31.66 2kco s PRO 31 CO 0.31 0.01 1.71 -2.14 0.04 0.00 0.00 177.00 176.93 2kco s PRO 32 N -4.09 2.94 -0.10 0.56 0.02 -1.26 -4.90 135.00 128.17 2kco s PRO 32 Ca 0.46 0.67 -0.04 0.00 0.02 0.00 0.00 61.00 62.11 2kco s PRO 32 Cb -0.10 -4.28 -0.01 0.00 0.02 0.00 0.00 34.50 30.12 2kco s PRO 32 CO 0.36 -2.36 -0.08 1.79 -0.33 0.00 0.00 177.00 176.38 2kco h THR 33 N 6.70 0.00 -3.31 0.99 1.35 -2.05 -3.47 112.91 113.13 2kco h THR 33 Ca -0.28 -0.78 -0.66 0.00 -0.55 0.00 0.00 66.41 64.15 2kco h THR 33 Cb 1.14 0.00 -0.28 0.00 -1.73 0.00 0.00 68.15 67.28 2kco h THR 33 CO 1.18 0.00 -0.76 -0.36 -0.25 0.00 0.00 175.52 175.33 2kco s PHE 34 N -1.76 2.85 -0.92 4.73 0.08 -1.26 -5.06 117.98 116.64 2kco s PHE 34 Ca -0.07 -0.85 -0.24 0.00 0.12 0.00 0.00 56.93 55.88 2kco s PHE 34 Cb 0.01 -1.93 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2kco s PHE 34 CO 0.10 -0.39 1.68 -0.08 -0.10 0.00 0.00 175.22 176.44 2kco s THR 35 N 0.81 3.66 0.06 0.64 -1.32 -1.26 -4.78 115.64 113.44 2kco s THR 35 Ca -0.04 -0.45 -0.10 0.00 -1.21 0.00 0.00 61.69 59.89 2kco s THR 35 Cb -0.15 -4.52 -0.31 0.00 -1.51 0.00 0.00 72.50 66.01 2kco s THR 35 CO 0.01 -1.43 1.09 0.74 -2.21 0.00 0.00 174.62 172.81 2kco h THR 36 N 6.96 1.39 -0.13 5.08 2.02 -2.02 -3.25 112.91 122.96 2kco h THR 36 Ca 0.09 -2.85 -0.03 0.00 0.77 0.00 0.00 66.41 64.40 2kco h THR 36 Cb 1.02 2.95 -0.01 0.00 -1.74 0.00 0.00 68.15 70.37 2kco h THR 36 CO 1.31 0.84 -0.06 0.17 0.37 0.00 0.00 175.52 178.15 2kco h LEU 37 N 0.13 0.18 1.82 2.58 8.10 -2.07 -3.46 115.31 122.58 2kco h LEU 37 Ca -0.19 -0.02 -0.35 0.00 0.11 0.00 0.00 57.88 57.43 2kco h LEU 37 Cb 2.04 -0.05 -0.08 0.00 -0.44 0.00 0.00 40.66 42.13 2kco h LEU 37 CO 0.24 0.27 -0.38 -1.20 -4.11 0.00 0.00 178.44 173.26 2kco n SER 38 N -4.36 -4.81 0.22 0.17 7.64 -1.23 -4.89 113.62 106.36 2kco n SER 38 Ca -0.01 0.27 -0.15 0.00 1.01 0.00 0.00 58.87 59.99 2kco n SER 38 Cb 0.21 -4.19 -0.07 0.00 -1.01 0.00 0.00 64.21 59.14 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kco h ALA 39 N 0.64 -0.69 -0.34 -0.43 0.00 -1.91 -1.51 119.26 115.03 2kco h ALA 39 Ca -0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2kco h ALA 39 Cb 1.21 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2kco h ALA 39 CO 0.51 -0.92 0.12 0.93 0.00 0.00 0.00 179.25 179.89 2kco h GLU 40 N -0.68 0.48 0.42 0.00 5.08 -1.98 -1.21 114.58 116.68 2kco h GLU 40 Ca -0.02 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2kco h GLU 40 Cb 0.61 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2kco h GLU 40 CO -0.04 0.41 -0.20 -0.44 -1.00 0.00 0.00 179.01 177.74 2kco h ASP 41 N 0.48 -0.47 -0.24 1.42 5.19 -1.85 -2.32 116.42 118.63 2kco h ASP 41 Ca 0.12 -0.03 -0.12 0.00 -0.62 0.00 0.00 57.03 56.38 2kco h ASP 41 Cb 0.12 0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.74 2kco h ASP 41 CO -0.01 -0.27 -0.26 0.40 -3.12 0.00 0.00 179.24 175.98 2kco h ILE 42 N -0.64 1.27 0.00 0.35 1.08 -0.98 -0.84 117.51 117.75 2kco h ILE 42 Ca -0.06 -1.37 -0.05 0.00 -0.39 0.00 0.00 64.86 63.00 2kco h ILE 42 Cb 0.48 1.28 -0.01 0.00 -3.07 0.00 0.00 36.82 35.50 2kco h ILE 42 CO 0.09 0.45 -0.23 0.03 -0.69 0.00 0.00 178.15 177.81 2kco h ARG 43 N 0.62 0.00 0.07 2.37 -0.00 -1.27 0.73 114.38 116.90 2kco h ARG 43 Ca 0.08 0.00 -0.25 0.00 -0.50 0.00 0.00 59.98 59.32 2kco h ARG 43 Cb 0.76 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.73 2kco h ARG 43 CO 0.06 0.23 -1.10 0.82 0.00 0.00 0.00 179.97 179.98 2kco h ILE 44 N 0.00 1.51 0.00 2.04 5.03 -1.04 -0.96 117.51 124.09 2kco h ILE 44 Ca -0.00 -2.93 0.00 0.00 -0.12 0.00 0.00 64.86 61.81 2kco h ILE 44 Cb 0.80 2.77 0.00 0.00 -3.03 0.00 0.00 36.82 37.35 2kco h ILE 44 CO 0.03 0.86 0.00 0.29 -0.68 0.00 0.00 178.15 178.65 2kco n LYS 45 N -3.57 0.05 -0.05 2.37 5.02 -0.35 -1.98 118.16 119.66 2kco n LYS 45 Ca -0.06 0.14 -0.05 0.00 -2.02 0.00 0.00 58.31 56.32 2kco n LYS 45 Cb 0.95 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 34.31 2kco n LYS 45 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2kco n ASP 46 N -1.46 0.31 -0.08 4.39 8.00 0.16 -4.46 116.55 123.41 2kco n ASP 46 Ca 0.06 0.14 -0.03 0.00 0.71 0.00 0.00 54.79 55.67 2kco n ASP 46 Cb 0.22 0.81 0.20 0.00 -0.02 0.00 0.00 41.12 42.33 2kco n ASP 46 CO 0.00 0.00 0.00 0.08 -0.39 0.00 0.00 177.20 176.89 2kco h ARG 47 N 0.00 0.71 0.00 -1.24 0.11 -0.52 -2.44 114.38 111.01 2kco h ARG 47 Ca -0.35 -0.18 0.00 0.00 0.10 0.00 0.00 59.98 59.55 2kco h ARG 47 Cb 1.89 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 32.88 2kco h ARG 47 CO 0.04 0.73 0.00 -2.37 0.10 0.00 0.00 179.97 178.46 2kco n THR 48 N -4.23 0.88 -2.27 0.08 5.66 -1.10 -4.10 114.28 109.20 2kco n THR 48 Ca 0.02 0.21 -0.36 0.00 -3.05 0.00 0.00 64.05 60.88 2kco n THR 48 Cb 0.28 -1.02 -0.03 0.00 -1.55 0.00 0.00 70.33 68.01 2kco n THR 48 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2kco n LEU 49 N -1.79 4.09 -4.66 1.09 4.32 -0.92 -4.96 117.00 114.17 2kco n LEU 49 Ca 0.03 -3.55 -0.42 0.00 -0.02 0.00 0.00 56.01 52.06 2kco n LEU 49 Cb 0.21 -1.73 -0.04 0.00 -1.62 0.00 0.00 43.42 40.24 2kco n LEU 49 CO 0.17 -0.78 0.67 -0.83 -1.22 0.00 0.00 177.39 175.40 2kco s GLY 50 N 5.28 2.00 -0.98 -0.72 0.00 -1.26 -4.98 107.32 106.66 2kco s GLY 50 Ca 0.61 0.04 -0.25 0.00 0.00 0.00 0.00 44.72 45.12 2kco s GLY 50 CO 0.10 1.78 2.05 -0.32 0.00 0.00 0.00 173.10 176.71 2kco s GLY 51 N 1.20 -0.15 -0.17 0.20 0.00 -1.26 -4.94 107.32 102.20 2kco s GLY 51 Ca 0.39 -1.55 -0.28 0.00 0.00 0.00 0.00 44.72 43.28 2kco s GLY 51 CO 0.11 3.73 0.96 -1.31 0.00 0.00 0.00 173.10 176.59 2kco s ASN 52 N 8.20 7.10 0.40 1.64 0.01 -1.26 -5.03 114.94 126.00 2kco s ASN 52 Ca 0.75 1.36 -0.25 0.00 -0.71 0.00 0.00 52.86 54.00 2kco s ASN 52 Cb -0.06 -2.52 -0.08 0.00 0.41 0.00 0.00 41.25 39.00 2kco s ASN 52 CO 0.06 -0.50 1.20 0.72 -1.51 0.00 0.00 177.10 177.07 2kco s PHE 53 N 2.44 3.00 -0.46 2.20 -0.71 -1.26 -5.02 117.98 118.17 2kco s PHE 53 Ca 0.43 1.52 0.03 0.00 -1.04 0.00 0.00 56.93 57.88 2kco s PHE 53 Cb -0.17 -3.46 0.16 0.00 -1.21 0.00 0.00 43.02 38.34 2kco s PHE 53 CO 0.12 -1.51 0.32 0.21 -1.34 0.00 0.00 175.22 173.03 2kco s LYS 54 N -2.29 1.23 0.20 1.99 2.20 -1.26 -5.12 119.74 116.70 2kco s LYS 54 Ca 0.57 -2.19 -0.19 0.00 -0.36 0.00 0.00 55.97 53.80 2kco s LYS 54 Cb -0.32 -2.00 -0.08 0.00 -1.51 0.00 0.00 37.83 33.92 2kco s LYS 54 CO 0.41 -1.29 0.70 0.14 -0.36 0.00 0.00 175.35 174.95 2kco s VAL 55 N 0.01 4.61 -0.14 4.02 -7.23 -1.26 -5.09 120.40 115.32 2kco s VAL 55 Ca 0.25 1.23 0.01 0.00 -1.81 0.00 0.00 61.98 61.67 2kco s VAL 55 Cb -0.09 -3.85 0.02 0.00 0.56 0.00 0.00 36.38 33.02 2kco s VAL 55 CO -0.11 0.24 -0.17 0.00 -0.31 0.00 0.00 175.10 174.75 2kco s ARG 56 N -1.90 2.57 -0.14 4.82 3.03 -1.26 -5.13 118.95 120.95 2kco s ARG 56 Ca 0.41 -0.68 -0.04 0.00 2.03 0.00 0.00 55.73 57.45 2kco s ARG 56 Cb -0.17 -2.21 -0.03 0.00 -1.03 0.00 0.00 34.95 31.51 2kco s ARG 56 CO 0.21 -0.13 0.01 -0.51 -1.13 0.00 0.00 175.30 173.74 2kco s LEU 57 N 1.16 3.53 -0.08 -1.89 2.01 -1.26 -5.09 118.68 117.06 2kco s LEU 57 Ca -0.01 0.03 -0.30 0.00 0.01 0.00 0.00 54.13 53.86 2kco s LEU 57 Cb -0.14 -1.85 -0.03 0.00 0.01 0.00 0.00 46.19 44.18 2kco s LEU 57 CO -0.07 0.24 1.20 -0.75 1.01 0.00 0.00 176.35 177.99 2kco s LYS 58 N -0.07 4.33 -0.39 1.70 2.20 -1.26 -5.01 119.74 121.24 2kco s LYS 58 Ca 0.04 1.66 0.03 0.00 -0.36 0.00 0.00 55.97 57.33 2kco s LYS 58 Cb -0.13 -3.60 0.11 0.00 -1.51 0.00 0.00 37.83 32.70 2kco s LYS 58 CO 0.02 -0.50 0.13 0.71 -0.36 0.00 0.00 175.35 175.35 2kco s TYR 59 N 2.49 2.92 -0.39 4.03 2.02 -1.26 -5.06 117.35 122.10 2kco s TYR 59 Ca 0.55 -2.67 0.02 0.00 -0.37 0.00 0.00 57.07 54.60 2kco s TYR 59 Cb -0.24 -2.48 0.11 0.00 -0.40 0.00 0.00 41.96 38.96 2kco s TYR 59 CO 0.20 -0.86 0.14 0.95 -1.57 0.00 0.00 175.55 174.41 2kco s THR 60 N 0.73 1.75 -0.26 -0.71 -4.23 -1.26 -5.09 115.64 106.56 2kco s THR 60 Ca 0.13 -2.30 -0.15 0.00 -1.18 0.00 0.00 61.69 58.19 2kco s THR 60 Cb -0.21 -2.27 -0.04 0.00 1.34 0.00 0.00 72.50 71.33 2kco s THR 60 CO -0.09 -0.72 0.38 -0.89 -0.54 0.00 0.00 174.62 172.76 2kco s THR 61 N 0.77 5.17 0.12 3.99 2.01 -1.26 -4.84 115.64 121.60 2kco s THR 61 Ca 0.13 0.60 0.08 0.00 0.31 0.00 0.00 61.69 62.81 2kco s THR 61 Cb -0.21 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 2kco s THR 61 CO -0.09 0.16 -0.19 -0.89 -0.69 0.00 0.00 174.62 172.92 2kco s THR 62 N 2.00 1.65 -0.04 -0.82 2.01 -0.28 -1.29 115.64 118.88 2kco s THR 62 Ca 0.16 -1.66 0.06 0.00 0.31 0.00 0.00 61.69 60.55 2kco s THR 62 Cb -0.16 -1.60 -0.01 0.00 0.01 0.00 0.00 72.50 70.74 2kco s THR 62 CO 0.10 -0.19 -0.21 0.00 -0.69 0.00 0.00 174.62 173.62 2kco s ALA 63 N -1.56 1.82 -0.60 7.40 0.00 -0.18 -1.62 121.76 127.02 2kco s ALA 63 Ca 0.09 -0.89 -0.05 0.00 0.00 0.00 0.00 51.96 51.11 2kco s ALA 63 Cb -0.08 -0.54 0.16 0.00 0.00 0.00 0.00 23.12 22.65 2kco s ALA 63 CO 0.05 0.38 0.43 1.21 0.00 0.00 0.00 175.76 177.83 2kco s ASN 64 N -0.22 5.45 -0.08 0.00 2.47 -0.47 -1.45 114.94 120.64 2kco s ASN 64 Ca 0.01 -2.64 -0.30 0.00 0.42 0.00 0.00 52.86 50.35 2kco s ASN 64 Cb -0.11 -1.90 -0.02 0.00 -1.45 0.00 0.00 41.25 37.77 2kco s ASN 64 CO 0.02 -0.44 1.03 0.68 -3.72 0.00 0.00 177.10 174.66 2kco s VAL 65 N 0.26 4.72 -0.08 -5.21 -7.23 0.31 -1.13 120.40 112.04 2kco s VAL 65 Ca 0.15 1.99 -0.29 0.00 -1.81 0.00 0.00 61.98 62.01 2kco s VAL 65 Cb -0.20 -4.28 -0.06 0.00 0.56 0.00 0.00 36.38 32.40 2kco s VAL 65 CO -0.04 0.03 1.88 -0.22 -0.31 0.00 0.00 175.10 176.44 2kco s LEU 66 N 1.88 4.12 -0.58 1.32 1.98 -0.87 0.83 118.68 127.35 2kco s LEU 66 Ca 0.50 2.23 -0.23 0.00 -2.89 0.00 0.00 54.13 53.74 2kco s LEU 66 Cb -0.20 -3.53 0.05 0.00 0.66 0.00 0.00 46.19 43.18 2kco s LEU 66 CO 0.20 -1.24 0.92 -0.62 -1.89 0.00 0.00 176.35 173.72 2kco s ASP 67 N 4.91 6.27 0.00 3.68 -1.08 0.02 -3.59 116.67 126.87 2kco s ASP 67 Ca 0.84 -0.62 0.06 0.00 -0.52 0.00 0.00 52.55 52.31 2kco s ASP 67 Cb -0.35 -2.42 0.33 0.00 -1.46 0.00 0.00 42.92 39.02 2kco s ASP 67 CO 0.35 -1.27 0.78 -0.81 0.52 0.00 0.00 175.17 174.74 2kco n PRO 68 N 7.43 0.47 -0.09 4.34 -0.04 -1.26 -0.38 135.00 145.47 2kco n PRO 68 Ca -0.01 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.28 2kco n PRO 68 Cb 0.47 -1.19 -0.09 0.00 -0.04 0.00 0.00 33.50 32.65 2kco n PRO 68 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kco h ALA 69 N 2.31 0.18 -0.00 0.55 0.00 -1.95 -3.41 119.26 116.93 2kco h ALA 69 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 54.91 53.95 2kco h ALA 69 Cb 0.00 0.60 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kco h ALA 69 CO 0.00 0.58 -0.87 0.25 0.00 0.00 0.00 179.25 179.20 2kco n THR 70 N -4.50 0.00 -3.46 0.00 -2.24 -1.13 -5.00 114.28 97.95 2kco n THR 70 Ca -0.24 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.27 2kco n THR 70 Cb 0.55 1.03 0.07 0.00 -2.10 0.00 0.00 70.33 69.88 2kco n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2kco n ASN 71 N -1.30 -5.65 -4.28 3.42 4.05 0.49 -5.04 115.26 106.95 2kco n ASN 71 Ca 0.04 -0.48 -0.15 0.00 0.45 0.00 0.00 54.58 54.44 2kco n ASN 71 Cb 0.32 -4.52 -0.10 0.00 1.23 0.00 0.00 39.78 36.71 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 2kco s THR 72 N -3.29 1.01 0.26 -0.44 -4.23 -1.22 -4.92 115.64 102.81 2kco s THR 72 Ca 0.49 -2.03 -0.20 0.00 -1.18 0.00 0.00 61.69 58.77 2kco s THR 72 Cb -0.21 -2.10 -0.09 0.00 1.34 0.00 0.00 72.50 71.44 2kco s THR 72 CO 0.65 -0.53 0.76 0.00 -0.54 0.00 0.00 174.62 174.96 2kco s ALA 73 N -3.44 3.36 -0.19 3.99 0.00 -1.26 -0.80 121.76 123.42 2kco s ALA 73 Ca 0.23 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.34 2kco s ALA 73 Cb 0.05 -2.86 0.08 0.00 0.00 0.00 0.00 23.12 20.39 2kco s ALA 73 CO 0.04 0.30 0.20 0.21 0.00 0.00 0.00 175.76 176.52 2kco s LYS 74 N -2.23 0.16 -0.43 0.00 2.20 0.24 -4.91 119.74 114.78 2kco s LYS 74 Ca 0.47 0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 56.20 2kco s LYS 74 Cb -0.15 -1.21 0.10 0.00 -1.51 0.00 0.00 37.83 35.05 2kco s LYS 74 CO 0.20 -0.62 0.27 0.21 -0.36 0.00 0.00 175.35 175.04 2kco s LYS 75 N 2.30 2.45 0.06 4.03 2.20 -1.26 -0.53 119.74 128.99 2kco s LYS 75 Ca 0.06 -1.61 0.08 0.00 -0.36 0.00 0.00 55.97 54.14 2kco s LYS 75 Cb -0.15 -3.77 -0.03 0.00 -1.51 0.00 0.00 37.83 32.37 2kco s LYS 75 CO -0.11 -1.03 -0.22 0.14 -0.36 0.00 0.00 175.35 173.77 2kco s VAL 76 N 1.35 1.78 0.59 4.02 -7.23 -0.53 -4.96 120.40 115.42 2kco s VAL 76 Ca 0.04 -1.31 -0.18 0.00 -1.81 0.00 0.00 61.98 58.72 2kco s VAL 76 Cb -0.24 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.11 2kco s VAL 76 CO -0.00 0.18 1.14 -0.75 -0.31 0.00 0.00 175.10 175.36 2kco s LYS 77 N -1.35 3.09 0.01 4.82 2.20 -1.26 -1.01 119.74 126.23 2kco s LYS 77 Ca 0.08 1.60 -0.23 0.00 -0.36 0.00 0.00 55.97 57.07 2kco s LYS 77 Cb -0.09 -1.97 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 2kco s LYS 77 CO 0.02 -1.06 0.68 0.42 -0.36 0.00 0.00 175.35 175.06 2kco s ILE 78 N -1.89 4.84 0.00 5.43 1.01 -0.41 -2.73 121.20 127.44 2kco s ILE 78 Ca 0.72 1.44 0.00 0.00 0.00 0.00 0.00 60.65 62.81 2kco s ILE 78 Cb -0.24 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.20 2kco s ILE 78 CO 0.32 0.38 0.00 0.18 0.00 0.00 0.00 174.94 175.82 2kco n LEU 79 N 2.86 0.45 -3.57 2.97 4.77 -0.71 -4.94 117.00 118.82 2kco n LEU 79 Ca -0.04 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.80 2kco n LEU 79 Cb 0.51 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 2kco n LEU 79 CO 0.45 -0.02 0.28 -1.83 -1.33 0.00 0.00 177.39 174.94 2kco s GLU 80 N -0.05 1.04 0.25 3.23 1.03 -1.18 -5.00 118.70 118.02 2kco s GLU 80 Ca 0.00 -0.25 -0.19 0.00 0.03 0.00 0.00 54.97 54.56 2kco s GLU 80 Cb 0.00 0.47 -0.09 0.00 -0.80 0.00 0.00 34.13 33.72 2kco s GLU 80 CO 0.00 -0.38 0.74 0.96 -1.33 0.00 0.00 175.26 175.26 2kco s ILE 81 N -2.49 4.56 -0.10 1.83 -0.00 -1.26 -0.66 121.20 123.09 2kco s ILE 81 Ca -0.05 1.26 -0.11 0.00 -0.00 0.00 0.00 60.65 61.75 2kco s ILE 81 Cb -0.01 -3.82 -0.05 0.00 -0.00 0.00 0.00 42.46 38.59 2kco s ILE 81 CO -0.02 0.12 -0.23 0.18 -0.00 0.00 0.00 174.94 174.99 2kco n LEU 82 N 0.49 1.58 -4.62 0.37 7.99 -0.68 -4.86 117.00 117.28 2kco n LEU 82 Ca -0.01 0.26 -0.43 0.00 -0.01 0.00 0.00 56.01 55.82 2kco n LEU 82 Cb 0.51 -0.59 -0.02 0.00 -0.11 0.00 0.00 43.42 43.21 2kco n LEU 82 CO 0.43 -0.29 1.29 -0.70 -1.51 0.00 0.00 177.39 176.61 2kco s GLU 83 N -2.54 3.71 -0.17 3.23 2.12 -1.25 -4.98 118.70 118.81 2kco s GLU 83 Ca -0.20 1.33 -0.29 0.00 0.36 0.00 0.00 54.97 56.17 2kco s GLU 83 Cb 0.04 -4.01 -0.04 0.00 0.26 0.00 0.00 34.13 30.38 2kco s GLU 83 CO 0.29 -1.39 1.69 0.99 -0.54 0.00 0.00 175.26 176.29 2kco s THR 84 N 5.27 3.58 0.57 -1.70 2.01 -1.26 -4.03 115.64 120.07 2kco s THR 84 Ca 0.66 0.66 -0.17 0.00 0.31 0.00 0.00 61.69 63.15 2kco s THR 84 Cb -0.19 -3.56 -0.04 0.00 0.01 0.00 0.00 72.50 68.71 2kco s THR 84 CO 0.29 -0.21 1.07 -2.16 -0.69 0.00 0.00 174.62 172.92 2kco s PRO 85 N 4.68 3.35 0.38 4.92 0.04 -1.26 -4.97 135.00 142.15 2kco s PRO 85 Ca 0.75 1.32 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2kco s PRO 85 Cb -0.28 -2.03 0.77 0.00 0.04 0.00 0.00 34.50 33.00 2kco s PRO 85 CO 0.30 -0.80 2.02 0.00 0.04 0.00 0.00 177.00 178.56 2kco h ALA 86 N 0.72 1.61 -0.72 8.56 0.00 -2.00 -1.89 119.26 125.55 2kco h ALA 86 Ca -0.48 -0.06 -0.56 0.00 0.00 0.00 0.00 54.91 53.81 2kco h ALA 86 Cb 1.23 -0.18 -0.21 0.00 0.00 0.00 0.00 17.79 18.63 2kco h ALA 86 CO 0.57 0.33 0.65 0.27 0.00 0.00 0.00 179.25 181.07 2kco n ASN 87 N -4.43 6.96 0.15 0.00 6.94 -1.26 -4.55 115.26 119.07 2kco n ASN 87 Ca 0.03 -3.44 0.05 0.00 -0.02 0.00 0.00 54.58 51.21 2kco n ASN 87 Cb 0.09 -1.11 0.49 0.00 -2.36 0.00 0.00 39.78 36.89 2kco n ASN 87 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2kco h LYS 88 N 2.47 0.19 -0.97 -3.83 -0.00 -1.68 -0.69 116.57 112.07 2kco h LYS 88 Ca 0.45 -0.03 0.26 0.00 -0.00 0.00 0.00 60.65 61.34 2kco h LYS 88 Cb 0.61 -0.04 -0.06 0.00 -0.00 0.00 0.00 32.23 32.75 2kco h LYS 88 CO 1.12 0.23 0.67 1.05 -0.00 0.00 0.00 179.45 182.52 2kco h GLU 89 N 0.19 0.16 0.03 0.07 4.11 -1.86 -2.04 114.58 115.24 2kco h GLU 89 Ca 0.05 -0.01 -0.34 0.00 0.07 0.00 0.00 59.36 59.12 2kco h GLU 89 Cb 0.16 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2kco h GLU 89 CO 0.00 0.11 -2.06 1.28 0.07 0.00 0.00 179.01 178.41 2kco n LEU 90 N -4.38 1.41 0.14 3.06 4.77 -0.43 -4.22 117.00 117.35 2kco n LEU 90 Ca 0.21 0.18 0.08 0.00 -0.03 0.00 0.00 56.01 56.46 2kco n LEU 90 Cb 0.94 -0.23 0.45 0.00 -2.33 0.00 0.00 43.42 42.25 2kco n LEU 90 CO 0.35 0.61 0.77 0.00 -1.33 0.00 0.00 177.39 177.79 2kco n ALA 91 N -2.82 0.94 0.17 -1.18 0.00 -0.40 -1.00 120.51 116.23 2kco n ALA 91 Ca -0.29 0.15 0.04 0.00 0.00 0.00 0.00 53.44 53.34 2kco n ALA 91 Cb 1.07 -1.15 0.44 0.00 0.00 0.00 0.00 19.45 19.81 2kco n ALA 91 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2kco h ARG 92 N 0.00 0.11 -0.27 0.00 0.11 -1.62 -1.87 114.38 110.85 2kco h ARG 92 Ca 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.06 2kco h ARG 92 Cb 0.13 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.19 2kco h ARG 92 CO 0.00 0.28 0.00 0.54 0.10 0.00 0.00 179.97 180.89 2kco n ARG 93 N -4.29 1.82 -1.06 0.08 1.74 -0.17 -4.90 116.66 109.88 2kco n ARG 93 Ca -0.02 -1.25 -0.02 0.00 -0.77 0.00 0.00 57.85 55.79 2kco n ARG 93 Cb 0.26 -1.35 -0.01 0.00 -1.02 0.00 0.00 32.46 30.34 2kco n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kco n GLY 94 N 1.13 0.55 3.49 -0.13 0.00 -0.70 -4.98 105.19 104.54 2kco n GLY 94 Ca 0.15 -0.49 -0.44 0.00 0.00 0.00 0.00 46.02 45.24 2kco n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kco s ILE 95 N -1.99 4.70 0.02 -0.61 -1.09 -0.99 -4.91 121.20 116.33 2kco s ILE 95 Ca 0.00 -2.08 -0.07 0.00 -2.23 0.00 0.00 60.65 56.27 2kco s ILE 95 Cb 0.00 -4.94 -0.05 0.00 -1.58 0.00 0.00 42.46 35.89 2kco s ILE 95 CO 0.00 -1.69 0.30 -0.63 -1.23 0.00 0.00 174.94 171.69 2kco s ILE 96 N 2.62 5.26 0.05 2.92 1.01 -1.26 -2.17 121.20 129.62 2kco s ILE 96 Ca 0.42 0.24 -0.10 0.00 0.00 0.00 0.00 60.65 61.21 2kco s ILE 96 Cb -0.02 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 38.81 2kco s ILE 96 CO -0.02 0.36 0.37 -0.51 0.00 0.00 0.00 174.94 175.14 2kco s ILE 97 N -1.31 5.13 -0.18 2.92 2.07 -1.26 -4.41 121.20 124.16 2kco s ILE 97 Ca 0.28 0.48 -0.32 0.00 -1.41 0.00 0.00 60.65 59.68 2kco s ILE 97 Cb -0.13 -3.64 -0.09 0.00 0.13 0.00 0.00 42.46 38.73 2kco s ILE 97 CO 0.16 0.37 2.08 -1.14 -1.91 0.00 0.00 174.94 174.50 2kco n ARG 98 N 1.15 1.91 0.00 3.50 0.63 -1.26 -1.94 116.66 120.65 2kco n ARG 98 Ca -0.10 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.44 2kco n ARG 98 Cb 0.52 -2.84 0.00 0.00 0.45 0.00 0.00 32.46 30.60 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kco n GLY 99 N 5.40 1.47 3.75 5.14 0.00 0.50 -4.99 105.19 116.46 2kco n GLY 99 Ca 0.29 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.91 2kco n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kco s ALA 100 N -2.01 3.35 0.24 4.61 0.00 -0.82 -4.80 121.76 122.32 2kco s ALA 100 Ca 0.00 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.17 2kco s ALA 100 Cb 0.00 -3.14 -0.09 0.00 0.00 0.00 0.00 23.12 19.89 2kco s ALA 100 CO 0.00 0.15 1.01 0.15 0.00 0.00 0.00 175.76 177.07 2kco s LYS 101 N -0.73 4.76 0.03 0.00 -0.14 -1.26 -2.48 119.74 119.92 2kco s LYS 101 Ca 0.41 1.61 0.01 0.00 -1.36 0.00 0.00 55.97 56.64 2kco s LYS 101 Cb -0.24 -3.25 -0.02 0.00 -1.68 0.00 0.00 37.83 32.63 2kco s LYS 101 CO 0.29 0.37 -0.05 -1.50 -0.76 0.00 0.00 175.35 173.70 2kco s ILE 102 N -1.06 0.30 -0.11 2.17 2.07 -0.40 -1.69 121.20 122.48 2kco s ILE 102 Ca 0.43 -1.06 0.01 0.00 -1.41 0.00 0.00 60.65 58.62 2kco s ILE 102 Cb -0.28 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 41.79 2kco s ILE 102 CO 0.35 -0.49 -0.15 -0.13 -1.91 0.00 0.00 174.94 172.61 2kco s ARG 103 N -1.71 3.16 0.39 3.50 0.52 0.17 -1.02 118.95 123.95 2kco s ARG 103 Ca -0.12 -0.72 0.01 0.00 -0.52 0.00 0.00 55.73 54.39 2kco s ARG 103 Cb -0.09 -2.53 0.01 0.00 0.52 0.00 0.00 34.95 32.87 2kco s ARG 103 CO -0.01 0.29 0.12 0.25 0.02 0.00 0.00 175.30 175.97 2kco n THR 104 N 3.29 0.00 0.27 0.02 -2.24 -0.58 -1.74 114.28 113.30 2kco n THR 104 Ca -0.18 -1.70 0.16 0.00 -2.27 0.00 0.00 64.05 60.06 2kco n THR 104 Cb 0.53 0.15 0.66 0.00 -2.10 0.00 0.00 70.33 69.56 2kco n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kco h GLU 105 N 0.00 0.00 0.04 -0.78 5.08 -1.81 -3.33 114.58 113.79 2kco h GLU 105 Ca -0.29 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2kco h GLU 105 Cb 0.94 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kco h GLU 105 CO 0.47 0.05 -0.02 0.00 -1.00 0.00 0.00 179.01 178.51 2kco h ALA 106 N 1.95 -0.21 -2.99 3.43 0.00 -1.94 -3.51 119.26 115.99 2kco h ALA 106 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kco h ALA 106 Cb 0.54 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 2kco h ALA 106 CO 0.01 -0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.46 2kco n GLY 107 N 1.35 2.46 3.72 0.00 0.00 -1.25 -5.13 105.19 106.33 2kco n GLY 107 Ca -0.01 -0.72 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2kco n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 108 N 0.00 4.39 0.20 0.99 2.96 -1.26 -1.53 118.68 124.44 2kco s LEU 108 Ca 0.00 2.17 0.02 0.00 -0.22 0.00 0.00 54.13 56.10 2kco s LEU 108 Cb 0.00 -3.59 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 2kco s LEU 108 CO 0.00 -0.49 0.01 0.00 -1.32 0.00 0.00 176.35 174.55 2kco s ALA 109 N 0.73 1.56 -0.14 5.97 0.00 -0.19 -0.91 121.76 128.79 2kco s ALA 109 Ca 0.58 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.84 2kco s ALA 109 Cb -0.32 0.60 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 2kco s ALA 109 CO 0.32 -0.32 -0.10 0.54 0.00 0.00 0.00 175.76 176.21 2kco s VAL 110 N -3.59 3.37 0.03 0.00 0.11 -0.24 -1.27 120.40 118.80 2kco s VAL 110 Ca 0.28 -0.55 -0.30 0.00 -2.93 0.00 0.00 61.98 58.47 2kco s VAL 110 Cb 0.06 -2.44 -0.07 0.00 -1.53 0.00 0.00 36.38 32.40 2kco s VAL 110 CO 0.07 0.52 1.56 0.68 -3.33 0.00 0.00 175.10 174.60 2kco s VAL 111 N 0.32 3.34 -0.03 2.04 -7.23 -1.04 -0.83 120.40 116.97 2kco s VAL 111 Ca -0.08 0.73 0.04 0.00 -1.81 0.00 0.00 61.98 60.87 2kco s VAL 111 Cb -0.15 -3.47 0.07 0.00 0.56 0.00 0.00 36.38 33.39 2kco s VAL 111 CO 0.05 -0.01 0.94 1.07 -0.31 0.00 0.00 175.10 176.83 2kco n THR 112 N 4.80 0.92 -4.12 5.32 5.66 -0.70 -0.37 114.28 125.78 2kco n THR 112 Ca 0.15 -1.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.03 2kco n THR 112 Cb 0.42 0.43 -0.08 0.00 -1.55 0.00 0.00 70.33 69.55 2kco n THR 112 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kco s SER 113 N -1.24 0.23 0.32 1.09 0.01 -0.84 -4.97 113.70 108.31 2kco s SER 113 Ca 0.07 -1.25 -0.24 0.00 1.31 0.00 0.00 55.95 55.85 2kco s SER 113 Cb 0.07 0.50 -0.10 0.00 0.21 0.00 0.00 66.02 66.69 2kco s SER 113 CO 0.01 -1.01 0.90 -0.13 0.41 0.00 0.00 173.24 173.41 2kco s ARG 114 N -3.95 4.44 -0.22 12.44 0.52 -1.26 -4.51 118.95 126.42 2kco s ARG 114 Ca 0.32 1.18 -0.36 0.00 -0.52 0.00 0.00 55.73 56.35 2kco s ARG 114 Cb 0.03 -2.70 -0.13 0.00 0.52 0.00 0.00 34.95 32.67 2kco s ARG 114 CO 0.13 0.24 1.91 -2.30 0.02 0.00 0.00 175.30 175.30 2kco n PRO 115 N 0.36 1.58 -2.14 3.54 -0.02 -1.26 -4.56 135.00 132.49 2kco n PRO 115 Ca 0.02 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.71 2kco n PRO 115 Cb 0.51 -2.43 0.01 0.00 -0.02 0.00 0.00 33.50 31.58 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kco s GLY 116 N 4.67 2.51 0.52 -1.23 0.00 -0.35 -4.95 107.32 108.49 2kco s GLY 116 Ca 0.99 0.75 0.34 0.00 0.00 0.00 0.00 44.72 46.79 2kco s GLY 116 CO 0.56 1.10 2.00 1.46 0.00 0.00 0.00 173.10 178.22 2kco h GLN 117 N 0.91 0.00 0.00 2.90 4.20 -1.94 -0.24 115.11 120.94 2kco h GLN 117 Ca -0.49 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.22 2kco h GLN 117 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2kco h GLN 117 CO 0.56 0.00 0.00 -0.25 -0.67 0.00 0.00 178.83 178.47 2kco n ASP 118 N -2.92 0.00 0.00 1.46 9.92 -1.26 -4.88 116.55 118.86 2kco n ASP 118 Ca 0.00 0.39 0.00 0.00 -0.53 0.00 0.00 54.79 54.66 2kco n ASP 118 Cb 0.24 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.27 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kco n GLY 119 N 0.67 0.82 3.31 0.44 0.00 -0.11 -4.89 105.19 105.43 2kco n GLY 119 Ca 0.06 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.23 2kco n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kco s VAL 120 N -2.00 3.98 -0.34 1.61 1.01 -1.20 -1.12 120.40 122.34 2kco s VAL 120 Ca 0.00 -1.00 -0.09 0.00 0.00 0.00 0.00 61.98 60.89 2kco s VAL 120 Cb 0.00 -3.21 0.02 0.00 0.00 0.00 0.00 36.38 33.19 2kco s VAL 120 CO 0.00 -0.15 0.15 -0.63 0.00 0.00 0.00 175.10 174.48 2kco s ILE 121 N 1.45 4.34 0.11 2.22 1.09 -0.64 -1.21 121.20 128.56 2kco s ILE 121 Ca -0.00 -0.77 -0.31 0.00 -1.10 0.00 0.00 60.65 58.47 2kco s ILE 121 Cb -0.19 -3.35 -0.09 0.00 -1.06 0.00 0.00 42.46 37.77 2kco s ILE 121 CO 0.04 -0.10 1.63 0.20 -0.10 0.00 0.00 174.94 176.61 2kco s ASN 122 N 1.53 6.59 0.35 3.58 0.01 -1.26 -1.37 114.94 124.37 2kco s ASN 122 Ca 0.02 2.54 0.03 0.00 -0.71 0.00 0.00 52.86 54.75 2kco s ASN 122 Cb -0.18 -2.57 -0.04 0.00 0.41 0.00 0.00 41.25 38.86 2kco s ASN 122 CO 0.05 -0.87 0.10 0.00 -1.51 0.00 0.00 177.10 174.87 2kco s ALA 123 N 2.10 2.46 -0.06 0.60 0.00 -0.28 -1.72 121.76 124.85 2kco s ALA 123 Ca 0.73 -1.68 0.02 0.00 0.00 0.00 0.00 51.96 51.03 2kco s ALA 123 Cb -0.41 0.79 0.01 0.00 0.00 0.00 0.00 23.12 23.51 2kco s ALA 123 CO 0.32 -0.36 -0.12 0.08 0.00 0.00 0.00 175.76 175.68 2kco s VAL 124 N -3.36 1.10 -0.09 0.00 1.01 -0.01 -2.04 120.40 117.01 2kco s VAL 124 Ca 0.32 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.54 2kco s VAL 124 Cb 0.06 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 2kco s VAL 124 CO 0.15 0.35 1.82 -0.76 0.00 0.00 0.00 175.10 176.66 2kco s LEU 125 N 0.62 4.14 0.00 3.92 1.43 -1.24 -1.08 118.68 126.47 2kco s LEU 125 Ca -0.13 2.18 -0.22 0.00 -1.03 0.00 0.00 54.13 54.93 2kco s LEU 125 Cb -0.15 -3.53 -0.19 0.00 0.03 0.00 0.00 46.19 42.35 2kco s LEU 125 CO 0.03 -1.19 1.20 -0.07 0.23 0.00 0.00 176.35 176.55 2kco h LEU 126 N 11.37 0.35 0.00 1.79 3.38 -1.33 -3.43 115.31 127.44 2kco h LEU 126 Ca -0.41 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 56.93 2kco h LEU 126 Cb 1.20 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2kco h LEU 126 CO 0.96 0.92 0.00 1.17 0.09 0.00 0.00 178.44 181.58 2kco n LYS 127 N -4.48 0.00 -2.65 1.13 4.81 -1.10 -4.99 118.16 110.88 2kco n LYS 127 Ca -0.08 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.15 2kco n LYS 127 Cb 0.46 -3.21 0.05 0.00 0.02 0.00 0.00 35.03 32.35 2kco n LYS 127 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kco s ASN 128 N -2.66 5.08 -0.82 3.14 4.22 -1.26 -4.98 114.94 117.66 2kco s ASN 128 Ca 0.00 -0.13 -0.16 0.00 -2.14 0.00 0.00 52.86 50.43 2kco s ASN 128 Cb 0.00 -0.64 0.17 0.00 1.28 0.00 0.00 41.25 42.07 2kco s ASN 128 CO 0.00 -1.29 0.86 -0.70 -2.04 0.00 0.00 177.10 173.93 2kco s GLU 129 N -4.83 3.51 -1.11 3.55 2.56 -1.26 -4.84 118.70 116.28 2kco s GLU 129 Ca 0.59 -2.08 -0.22 0.00 0.00 0.00 0.00 54.97 53.27 2kco s GLU 129 Cb -0.09 -4.56 0.02 0.00 2.00 0.00 0.00 34.13 31.50 2kco s GLU 129 CO 0.39 -1.47 1.71 -1.12 -0.56 0.00 0.00 175.26 174.21 2kco s SER 130 N 2.85 6.13 -1.08 -1.70 0.01 -1.26 -4.91 113.70 113.73 2kco s SER 130 Ca 0.21 -1.66 -0.22 0.00 1.31 0.00 0.00 55.95 55.59 2kco s SER 130 Cb -0.11 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.58 2kco s SER 130 CO -0.07 -1.87 1.61 -1.58 0.41 0.00 0.00 173.24 171.74 2kco s GLN 131 N 5.34 3.50 -0.14 12.44 2.00 -1.26 -4.97 119.66 136.57 2kco s GLN 131 Ca 0.56 -1.24 -0.02 0.00 -2.00 0.00 0.00 55.36 52.66 2kco s GLN 131 Cb -0.00 -5.36 -0.02 0.00 0.80 0.00 0.00 33.01 28.43 2kco s GLN 131 CO 0.01 -2.47 -0.08 0.50 -0.50 0.00 0.00 175.29 172.75 2kco s ARG 132 N 5.13 3.54 0.00 1.67 6.06 -1.26 -5.26 118.95 128.83 2kco s ARG 132 Ca 0.52 -0.59 0.00 0.00 -2.50 0.00 0.00 55.73 53.16 2kco s ARG 132 Cb 0.00 -2.79 0.00 0.00 0.06 0.00 0.00 34.95 32.23 2kco s ARG 132 CO -0.03 0.23 0.00 0.45 -2.50 0.00 0.00 175.30 173.45