#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s n TYR 2 N 0.00 0.00 1.02 2.98 9.36 -1.26 -4.27 117.16 124.99 2k1s n TYR 2 Ca 0.00 0.00 0.11 0.00 3.32 0.00 0.00 57.90 61.33 2k1s n TYR 2 Cb 0.00 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 38.73 2k1s n TYR 2 CO 0.00 0.00 0.00 -1.33 0.22 0.00 0.00 176.86 175.75 2k1s n MET 3 N 0.00 1.10 0.07 2.98 2.81 -1.26 -4.01 117.12 118.81 2k1s n MET 3 Ca 0.00 -0.89 -0.12 0.00 -1.81 0.00 0.00 57.70 54.87 2k1s n MET 3 Cb 0.00 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 30.96 2k1s n MET 3 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 2k1s h ASP 4 N 2.18 -0.09 0.36 7.83 3.58 -1.96 0.20 116.42 128.52 2k1s h ASP 4 Ca 0.00 0.01 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2k1s h ASP 4 Cb 0.72 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 2k1s h ASP 4 CO 0.00 -0.06 -0.45 1.62 -2.88 0.00 0.00 179.24 177.47 2k1s h VAL 5 N -0.09 1.32 -0.50 2.25 3.04 -1.95 -2.50 116.25 117.82 2k1s h VAL 5 Ca -0.00 -1.57 -0.10 0.00 -1.01 0.00 0.00 66.70 64.02 2k1s h VAL 5 Cb 0.08 1.79 -0.02 0.00 -2.01 0.00 0.00 31.29 31.13 2k1s h VAL 5 CO 0.00 0.46 -0.08 1.56 -1.01 0.00 0.00 177.57 178.50 2k1s h GLN 6 N 0.09 0.94 -0.91 4.17 4.20 -1.61 0.20 115.11 122.19 2k1s h GLN 6 Ca 0.00 -0.34 0.02 0.00 0.06 0.00 0.00 58.65 58.39 2k1s h GLN 6 Cb 0.83 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 28.49 2k1s h GLN 6 CO 0.06 1.00 0.60 1.49 -0.67 0.00 0.00 178.83 181.32 2k1s h GLU 7 N 0.80 1.17 -0.58 1.46 4.81 -0.37 0.24 114.58 122.11 2k1s h GLU 7 Ca 0.13 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.20 2k1s h GLU 7 Cb 0.63 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 29.73 2k1s h GLU 7 CO 0.04 0.77 -0.01 0.00 -0.73 0.00 0.00 179.01 179.08 2k1s h ALA 8 N 1.35 0.78 -0.22 2.92 0.00 -1.08 0.60 119.26 123.61 2k1s h ALA 8 Ca 0.35 -0.31 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2k1s h ALA 8 Cb -0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2k1s h ALA 8 CO -0.09 0.62 -0.01 0.87 0.00 0.00 0.00 179.25 180.64 2k1s h LYS 9 N 0.92 0.39 -0.60 0.00 1.57 -0.39 -2.04 116.57 116.43 2k1s h LYS 9 Ca 0.16 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 2k1s h LYS 9 Cb 0.56 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 2k1s h LYS 9 CO 0.03 0.59 0.03 -0.07 -0.57 0.00 0.00 179.45 179.46 2k1s h LEU 10 N 0.14 0.99 -1.29 2.94 3.38 -0.46 0.21 115.31 121.22 2k1s h LEU 10 Ca 0.06 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2k1s h LEU 10 Cb 0.43 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k1s h LEU 10 CO 0.01 1.02 -0.20 -0.09 0.09 0.00 0.00 178.44 179.28 2k1s h ARG 11 N 0.94 0.23 0.04 1.13 2.43 -0.83 0.26 114.38 118.58 2k1s h ARG 11 Ca 0.17 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.16 2k1s h ARG 11 Cb 0.51 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.04 2k1s h ARG 11 CO 0.02 0.43 -0.47 0.22 -1.51 0.00 0.00 179.97 178.66 2k1s h ASP 12 N 0.22 0.35 0.55 -3.80 3.58 -0.95 -2.93 116.42 113.43 2k1s h ASP 12 Ca 0.04 -0.85 -0.13 0.00 0.42 0.00 0.00 57.03 56.51 2k1s h ASP 12 Cb 0.49 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.41 2k1s h ASP 12 CO 0.03 1.16 -0.59 0.11 -2.88 0.00 0.00 179.24 177.08 2k1s h LYS 13 N -0.43 0.04 -0.81 0.28 1.57 -0.82 -2.54 116.57 113.87 2k1s h LYS 13 Ca -0.07 -0.03 -0.22 0.00 -1.87 0.00 0.00 60.65 58.46 2k1s h LYS 13 Cb 1.27 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.45 2k1s h LYS 13 CO 0.09 0.62 0.28 -1.33 -0.57 0.00 0.00 179.45 178.54 2k1s n MET 14 N -3.85 3.36 -0.31 3.15 2.81 0.90 -4.59 117.12 118.59 2k1s n MET 14 Ca -0.01 -2.74 0.14 0.00 -1.81 0.00 0.00 57.70 53.27 2k1s n MET 14 Cb 0.59 -2.12 0.32 0.00 -0.71 0.00 0.00 33.22 31.30 2k1s n MET 14 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2k1s h ARG 15 N 2.29 0.42 -0.21 0.03 9.65 -1.25 -3.26 114.38 122.05 2k1s h ARG 15 Ca 0.27 -0.03 -0.21 0.00 -1.10 0.00 0.00 59.98 58.91 2k1s h ARG 15 Cb 2.23 -0.09 -0.25 0.00 -1.39 0.00 0.00 29.97 30.47 2k1s h ARG 15 CO 0.70 0.28 -0.61 0.41 2.80 0.00 0.00 179.97 183.54 2k1s n GLY 16 N -1.33 1.85 0.11 2.80 0.00 -1.26 -4.92 105.19 102.44 2k1s n GLY 16 Ca 0.23 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 2k1s n GLY 16 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k1s n THR 17 N -1.04 1.70 0.00 2.61 -2.24 -1.23 -4.99 114.28 109.09 2k1s n THR 17 Ca -0.07 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2k1s n THR 17 Cb 0.85 -1.43 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2k1s n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k1s n GLY 18 N 1.82 1.36 3.72 3.38 0.00 -1.26 -5.02 105.19 109.18 2k1s n GLY 18 Ca -0.26 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.35 2k1s n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 19 N -1.93 4.88 -0.35 1.61 1.01 -1.26 -4.55 120.40 119.80 2k1s s VAL 19 Ca 0.00 1.79 -0.18 0.00 0.00 0.00 0.00 61.98 63.59 2k1s s VAL 19 Cb 0.00 -4.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.18 2k1s s VAL 19 CO 0.00 0.24 0.52 -0.44 0.00 0.00 0.00 175.10 175.42 2k1s s SER 20 N 0.69 6.32 -0.70 3.32 0.01 -0.84 -4.98 113.70 117.53 2k1s s SER 20 Ca 0.45 -0.03 -0.22 0.00 1.31 0.00 0.00 55.95 57.46 2k1s s SER 20 Cb -0.20 -2.27 0.07 0.00 0.21 0.00 0.00 66.02 63.83 2k1s s SER 20 CO 0.24 -0.49 1.00 -0.69 0.41 0.00 0.00 173.24 173.71 2k1s s VAL 21 N 2.42 4.33 -0.49 3.43 1.01 -1.26 -2.27 120.40 127.57 2k1s s VAL 21 Ca 0.19 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.58 2k1s s VAL 21 Cb -0.15 -4.71 0.11 0.00 0.00 0.00 0.00 36.38 31.63 2k1s s VAL 21 CO 0.13 -1.49 0.39 -0.89 0.00 0.00 0.00 175.10 173.24 2k1s s THR 22 N 4.00 4.59 -0.48 3.92 2.01 0.48 -4.97 115.64 125.20 2k1s s THR 22 Ca 0.24 -1.60 -0.25 0.00 0.31 0.00 0.00 61.69 60.40 2k1s s THR 22 Cb -0.15 -3.95 0.03 0.00 0.01 0.00 0.00 72.50 68.44 2k1s s THR 22 CO 0.08 -0.76 0.89 -0.60 -0.69 0.00 0.00 174.62 173.55 2k1s s ARG 23 N 1.46 3.46 -0.42 4.92 3.00 -1.26 0.25 118.95 130.36 2k1s s ARG 23 Ca 0.04 0.01 -0.08 0.00 -1.00 0.00 0.00 55.73 54.71 2k1s s ARG 23 Cb -0.27 -3.95 0.09 0.00 0.00 0.00 0.00 34.95 30.82 2k1s s ARG 23 CO 0.01 -1.25 0.26 -1.12 0.00 0.00 0.00 175.30 173.20 2k1s s SER 24 N 2.34 5.55 0.89 -2.12 0.01 -0.19 -4.95 113.70 115.22 2k1s s SER 24 Ca 0.34 -1.69 0.00 0.00 1.31 0.00 0.00 55.95 55.91 2k1s s SER 24 Cb -0.11 -1.95 0.00 0.00 0.21 0.00 0.00 66.02 64.17 2k1s s SER 24 CO 0.24 -0.56 0.00 0.61 0.41 0.00 0.00 173.24 173.94 2k1s n GLY 25 N 4.84 1.42 0.08 3.44 0.00 -1.26 -2.47 105.19 111.24 2k1s n GLY 25 Ca -0.08 0.13 -0.08 0.00 0.00 0.00 0.00 46.02 45.98 2k1s n GLY 25 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k1s n ASP 26 N 8.99 1.17 -4.94 1.61 8.00 -1.26 -5.01 116.55 125.11 2k1s n ASP 26 Ca 0.00 -0.01 -0.24 0.00 0.71 0.00 0.00 54.79 55.25 2k1s n ASP 26 Cb 0.00 0.79 -0.02 0.00 -0.02 0.00 0.00 41.12 41.87 2k1s n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k1s s ASN 27 N -5.06 6.32 -0.16 -2.24 4.22 -1.03 -4.88 114.94 112.10 2k1s s ASN 27 Ca -0.10 0.43 -0.04 0.00 -2.14 0.00 0.00 52.86 51.02 2k1s s ASN 27 Cb 0.05 -2.02 -0.03 0.00 1.28 0.00 0.00 41.25 40.53 2k1s s ASN 27 CO 0.64 -0.24 -0.02 -0.63 -2.04 0.00 0.00 177.10 174.80 2k1s s ILE 28 N -2.22 3.99 -0.41 0.54 1.01 -0.39 -1.02 121.20 122.69 2k1s s ILE 28 Ca 0.40 -0.32 -0.12 0.00 0.00 0.00 0.00 60.65 60.60 2k1s s ILE 28 Cb -0.10 -2.76 0.05 0.00 0.01 0.00 0.00 42.46 39.67 2k1s s ILE 28 CO 0.34 0.49 0.27 -0.63 0.00 0.00 0.00 174.94 175.41 2k1s s ILE 29 N 0.40 4.69 -0.77 2.92 -1.09 0.14 -0.61 121.20 126.87 2k1s s ILE 29 Ca -0.03 -1.03 -0.16 0.00 -2.23 0.00 0.00 60.65 57.19 2k1s s ILE 29 Cb -0.14 -3.72 0.16 0.00 -1.58 0.00 0.00 42.46 37.18 2k1s s ILE 29 CO 0.03 -0.39 0.82 -0.76 -1.23 0.00 0.00 174.94 173.40 2k1s s LEU 30 N 1.55 5.98 -0.21 2.97 1.43 -0.09 -0.39 118.68 129.92 2k1s s LEU 30 Ca 0.03 -2.17 -0.15 0.00 -1.03 0.00 0.00 54.13 50.82 2k1s s LEU 30 Cb -0.21 -2.28 -0.04 0.00 0.03 0.00 0.00 46.19 43.69 2k1s s LEU 30 CO 0.06 -0.84 0.35 0.54 0.23 0.00 0.00 176.35 176.68 2k1s s ASN 31 N 2.99 6.38 -0.21 2.29 2.20 -0.96 -0.27 114.94 127.36 2k1s s ASN 31 Ca 0.19 0.44 -0.05 0.00 -0.94 0.00 0.00 52.86 52.50 2k1s s ASN 31 Cb -0.14 -2.21 -0.02 0.00 -2.00 0.00 0.00 41.25 36.89 2k1s s ASN 31 CO -0.05 -0.04 -0.02 -0.04 -2.94 0.00 0.00 177.10 174.02 2k1s s MET 32 N 1.20 3.53 0.57 3.55 -1.94 0.49 -1.98 119.30 124.72 2k1s s MET 32 Ca 0.17 -0.56 -0.20 0.00 -1.71 0.00 0.00 55.69 53.38 2k1s s MET 32 Cb -0.14 -3.05 -0.05 0.00 2.01 0.00 0.00 34.83 33.60 2k1s s MET 32 CO 0.07 -0.05 1.21 -2.30 -0.01 0.00 0.00 175.02 173.94 2k1s n PRO 33 N 4.42 1.36 -0.35 2.03 -0.02 -1.26 -2.76 135.00 138.42 2k1s n PRO 33 Ca -0.17 0.51 0.11 0.00 -2.02 0.00 0.00 63.50 61.93 2k1s n PRO 33 Cb 0.51 -2.41 0.31 0.00 -0.02 0.00 0.00 33.50 31.89 2k1s n PRO 33 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2k1s h ASN 34 N 1.04 0.81 0.44 2.55 -0.00 -1.93 -2.23 115.58 116.27 2k1s h ASN 34 Ca -0.50 0.08 -0.14 0.00 -0.00 0.00 0.00 56.30 55.74 2k1s h ASN 34 Cb 1.33 -0.07 -0.01 0.00 -0.00 0.00 0.00 38.32 39.56 2k1s h ASN 34 CO 0.55 0.34 -0.62 -1.13 -0.00 0.00 0.00 177.43 176.57 2k1s h ASN 35 N 0.82 0.20 1.24 1.15 -1.24 -1.91 -1.81 115.58 114.03 2k1s h ASN 35 Ca 0.55 -0.12 -0.11 0.00 0.71 0.00 0.00 56.30 57.32 2k1s h ASN 35 Cb 0.78 -0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.75 2k1s h ASN 35 CO -0.33 0.77 -0.79 -0.37 -1.29 0.00 0.00 177.43 175.41 2k1s h VAL 36 N 0.13 0.67 0.04 2.57 -1.51 -1.77 -3.36 116.25 113.00 2k1s h VAL 36 Ca -0.01 -2.03 -0.35 0.00 -1.23 0.00 0.00 66.70 63.08 2k1s h VAL 36 Cb 1.12 2.23 -0.04 0.00 -2.13 0.00 0.00 31.29 32.47 2k1s h VAL 36 CO 0.09 0.38 -1.99 0.41 -1.23 0.00 0.00 177.57 175.23 2k1s n THR 37 N -3.08 1.60 -4.40 7.19 -1.04 -1.14 -3.42 114.28 109.98 2k1s n THR 37 Ca -0.02 -0.39 -0.24 0.00 -2.04 0.00 0.00 64.05 61.37 2k1s n THR 37 Cb 0.75 -1.80 -0.09 0.00 -1.82 0.00 0.00 70.33 67.36 2k1s n THR 37 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2k1s s PHE 38 N -2.48 2.44 0.00 -1.42 0.08 -0.68 -3.29 117.98 112.62 2k1s s PHE 38 Ca -0.31 -0.29 0.00 0.00 0.12 0.00 0.00 56.93 56.45 2k1s s PHE 38 Cb 0.09 -1.09 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 2k1s s PHE 38 CO 0.62 0.66 0.14 -3.47 -0.10 0.00 0.00 175.22 173.06 2k1s n ASP 39 N -0.58 0.00 0.00 1.36 2.03 -1.03 -4.42 116.55 113.90 2k1s n ASP 39 Ca -0.06 0.24 0.00 0.00 0.52 0.00 0.00 54.79 55.49 2k1s n ASP 39 Cb 0.59 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 2k1s n ASP 39 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 2k1s n SER 40 N -0.91 0.00 0.00 1.67 2.88 -1.26 -4.92 113.62 111.09 2k1s n SER 40 Ca 0.00 0.09 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2k1s n SER 40 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 2k1s n SER 40 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2k1s n SER 41 N -2.20 0.00 -4.70 -3.46 3.41 -1.26 -5.01 113.62 100.41 2k1s n SER 41 Ca 0.00 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 2k1s n SER 41 Cb 0.00 0.11 0.14 0.00 -0.26 0.00 0.00 64.21 64.19 2k1s n SER 41 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2k1s s SER 42 N -1.83 3.47 -0.71 4.04 0.01 -1.26 -4.86 113.70 112.57 2k1s s SER 42 Ca 0.00 2.25 -0.26 0.00 1.31 0.00 0.00 55.95 59.25 2k1s s SER 42 Cb 0.00 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.60 2k1s s SER 42 CO 0.00 -2.74 2.06 0.00 0.41 0.00 0.00 173.24 172.97 2k1s s ALA 43 N -2.40 1.71 -0.22 1.44 0.00 -1.26 -4.49 121.76 116.54 2k1s s ALA 43 Ca 0.70 -0.83 -0.01 0.00 0.00 0.00 0.00 51.96 51.81 2k1s s ALA 43 Cb -0.25 -4.43 0.07 0.00 0.00 0.00 0.00 23.12 18.50 2k1s s ALA 43 CO 0.53 -4.57 0.01 0.95 0.00 0.00 0.00 175.76 172.69 2k1s s THR 44 N 10.72 0.93 -0.66 0.00 -4.23 -1.26 -5.02 115.64 116.12 2k1s s THR 44 Ca 0.77 -0.91 -0.27 0.00 -1.18 0.00 0.00 61.69 60.10 2k1s s THR 44 Cb -0.11 -1.39 0.02 0.00 1.34 0.00 0.00 72.50 72.36 2k1s s THR 44 CO 0.13 -0.24 1.38 -0.76 -0.54 0.00 0.00 174.62 174.59 2k1s s LEU 45 N 1.66 3.28 0.57 4.79 1.43 -1.26 -2.47 118.68 126.67 2k1s s LEU 45 Ca -0.01 -0.08 -0.16 0.00 -1.03 0.00 0.00 54.13 52.85 2k1s s LEU 45 Cb -0.18 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.23 2k1s s LEU 45 CO -0.10 -1.83 1.04 -1.59 0.23 0.00 0.00 176.35 174.10 2k1s s LYS 46 N 5.75 3.51 0.28 1.70 -2.85 -1.21 -4.80 119.74 122.12 2k1s s LYS 46 Ca 0.45 1.12 0.01 0.00 -1.00 0.00 0.00 55.97 56.55 2k1s s LYS 46 Cb -0.09 -2.06 0.65 0.00 -2.06 0.00 0.00 37.83 34.26 2k1s s LYS 46 CO 0.20 -0.65 1.67 -1.35 0.10 0.00 0.00 175.35 175.32 2k1s h PRO 47 N 0.57 0.27 -0.32 1.78 0.11 -1.94 0.83 132.00 133.29 2k1s h PRO 47 Ca -0.47 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.63 2k1s h PRO 47 Cb 1.21 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 2k1s h PRO 47 CO 0.59 0.18 0.21 0.00 -0.21 0.00 0.00 178.00 178.76 2k1s h ALA 48 N 1.72 0.41 -0.35 -0.75 0.00 -1.93 0.59 119.26 118.95 2k1s h ALA 48 Ca 0.52 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.35 2k1s h ALA 48 Cb 0.99 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2k1s h ALA 48 CO -0.59 -0.14 -0.02 0.78 0.00 0.00 0.00 179.25 179.28 2k1s h GLY 49 N 0.42 0.69 1.28 0.00 0.00 -1.10 -1.53 103.07 102.82 2k1s h GLY 49 Ca 0.12 -0.53 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 2k1s h GLY 49 CO -0.04 0.48 0.41 0.00 0.00 0.00 0.00 176.54 177.40 2k1s h ALA 50 N 0.85 1.40 -0.41 3.60 0.00 -0.73 0.35 119.26 124.31 2k1s h ALA 50 Ca 0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k1s h ALA 50 Cb 0.50 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2k1s h ALA 50 CO 0.02 0.51 0.14 -0.97 0.00 0.00 0.00 179.25 178.96 2k1s h ASN 51 N 0.97 0.59 -0.43 0.00 -1.24 -0.64 -1.12 115.58 113.71 2k1s h ASN 51 Ca 0.25 -0.19 -0.14 0.00 0.71 0.00 0.00 56.30 56.93 2k1s h ASN 51 Cb -0.02 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 38.87 2k1s h ASN 51 CO -0.05 0.62 -0.28 0.74 -1.29 0.00 0.00 177.43 177.18 2k1s h THR 52 N 0.52 1.27 -0.29 -3.57 2.02 -0.61 -2.54 112.91 109.72 2k1s h THR 52 Ca 0.13 -1.45 -0.02 0.00 0.77 0.00 0.00 66.41 65.85 2k1s h THR 52 Cb 0.24 1.26 -0.02 0.00 -1.74 0.00 0.00 68.15 67.89 2k1s h THR 52 CO -0.01 0.49 0.09 -0.07 0.37 0.00 0.00 175.52 176.40 2k1s h LEU 53 N 0.78 0.36 -0.60 2.58 3.38 -0.21 -1.03 115.31 120.57 2k1s h LEU 53 Ca 0.09 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2k1s h LEU 53 Cb 0.86 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2k1s h LEU 53 CO 0.08 0.36 0.23 0.74 0.09 0.00 0.00 178.44 179.93 2k1s h THR 54 N 0.41 1.23 -0.74 0.22 2.02 -0.92 0.22 112.91 115.35 2k1s h THR 54 Ca 0.10 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.54 2k1s h THR 54 Cb 0.12 0.59 -0.04 0.00 -1.74 0.00 0.00 68.15 67.08 2k1s h THR 54 CO -0.01 0.29 0.47 1.23 0.37 0.00 0.00 175.52 177.87 2k1s h GLY 55 N 0.84 1.05 0.97 2.16 0.00 -0.82 0.71 103.07 107.98 2k1s h GLY 55 Ca 0.20 -0.42 -0.00 0.00 0.00 0.00 0.00 47.33 47.11 2k1s h GLY 55 CO -0.01 0.41 0.17 -2.08 0.00 0.00 0.00 176.54 175.03 2k1s h VAL 56 N 1.00 1.12 -0.49 4.60 2.07 -0.99 -2.60 116.25 120.96 2k1s h VAL 56 Ca 0.27 -0.30 -0.00 0.00 0.82 0.00 0.00 66.70 67.49 2k1s h VAL 56 Cb -0.07 0.77 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 2k1s h VAL 56 CO -0.05 0.12 0.30 0.00 0.02 0.00 0.00 177.57 177.95 2k1s h ALA 57 N 1.05 1.60 -0.43 1.67 0.00 -0.42 -1.03 119.26 121.70 2k1s h ALA 57 Ca 0.11 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k1s h ALA 57 Cb 0.04 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2k1s h ALA 57 CO -0.02 0.35 0.25 0.52 0.00 0.00 0.00 179.25 180.36 2k1s h MET 58 N 0.67 0.59 -0.26 0.00 2.86 -0.53 -1.29 114.93 116.97 2k1s h MET 58 Ca 0.18 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 2k1s h MET 58 Cb -0.03 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.50 2k1s h MET 58 CO -0.03 0.44 -0.21 0.28 1.06 0.00 0.00 176.91 178.45 2k1s h VAL 59 N 0.56 1.25 0.00 -2.22 2.07 -0.99 -0.66 116.25 116.26 2k1s h VAL 59 Ca 0.15 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2k1s h VAL 59 Cb 0.01 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2k1s h VAL 59 CO -0.03 0.38 -0.02 -0.07 0.02 0.00 0.00 177.57 177.85 2k1s h LEU 60 N 0.43 0.00 0.07 2.57 3.38 -0.77 -0.88 115.31 120.11 2k1s h LEU 60 Ca 0.07 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.75 2k1s h LEU 60 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2k1s h LEU 60 CO 0.04 0.02 -1.53 0.11 0.09 0.00 0.00 178.44 177.18 2k1s h LYS 61 N 0.00 0.15 -0.42 1.13 1.57 -0.20 -3.32 116.57 115.47 2k1s h LYS 61 Ca -0.00 -0.25 -0.07 0.00 -1.87 0.00 0.00 60.65 58.45 2k1s h LYS 61 Cb 0.43 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 2k1s h LYS 61 CO 0.00 0.95 -0.05 0.93 -0.57 0.00 0.00 179.45 180.71 2k1s h GLU 62 N 0.04 0.70 -3.38 3.15 5.08 -0.34 -3.38 114.58 116.45 2k1s h GLU 62 Ca -0.23 -0.20 -0.59 0.00 -1.00 0.00 0.00 59.36 57.34 2k1s h GLU 62 Cb 1.98 -0.08 -0.40 0.00 0.50 0.00 0.00 28.75 30.75 2k1s h GLU 62 CO 0.13 0.75 -0.76 0.71 -1.00 0.00 0.00 179.01 178.85 2k1s s TYR 63 N -4.89 1.73 -2.07 4.33 2.02 -0.41 -4.99 117.35 113.06 2k1s s TYR 63 Ca -0.09 -1.89 0.28 0.00 -0.37 0.00 0.00 57.07 55.00 2k1s s TYR 63 Cb 0.15 -1.72 1.57 0.00 -0.40 0.00 0.00 41.96 41.55 2k1s s TYR 63 CO 0.80 -0.86 2.02 -0.35 -1.57 0.00 0.00 175.55 175.60 2k1s n PRO 64 N 4.51 1.11 -0.79 -1.71 -0.04 -1.25 -3.51 135.00 133.32 2k1s n PRO 64 Ca 0.01 -0.16 -0.11 0.00 -0.04 0.00 0.00 63.50 63.20 2k1s n PRO 64 Cb 0.40 -1.44 0.17 0.00 -0.04 0.00 0.00 33.50 32.59 2k1s n PRO 64 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k1s n LYS 65 N -0.76 2.36 -4.02 0.54 4.01 -1.26 -4.88 118.16 114.15 2k1s n LYS 65 Ca 0.21 -2.11 -0.35 0.00 -0.51 0.00 0.00 58.31 55.55 2k1s n LYS 65 Cb 0.14 -1.88 -0.09 0.00 -0.51 0.00 0.00 35.03 32.69 2k1s n LYS 65 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 2k1s s THR 66 N -2.27 4.85 -0.29 -0.18 -4.23 -1.23 -1.10 115.64 111.20 2k1s s THR 66 Ca 0.39 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.72 2k1s s THR 66 Cb 0.32 -3.16 -0.03 0.00 1.34 0.00 0.00 72.50 70.97 2k1s s THR 66 CO 0.09 0.50 0.42 0.00 -0.54 0.00 0.00 174.62 175.08 2k1s s ALA 67 N 0.05 3.55 -0.71 3.99 0.00 0.18 -4.82 121.76 123.99 2k1s s ALA 67 Ca 0.06 -0.85 -0.17 0.00 0.00 0.00 0.00 51.96 51.00 2k1s s ALA 67 Cb -0.12 -2.80 0.15 0.00 0.00 0.00 0.00 23.12 20.34 2k1s s ALA 67 CO 0.01 -0.80 0.77 0.08 0.00 0.00 0.00 175.76 175.81 2k1s s VAL 68 N 2.16 5.08 -0.49 0.00 1.01 0.65 -2.28 120.40 126.53 2k1s s VAL 68 Ca 0.16 -1.59 -0.18 0.00 0.00 0.00 0.00 61.98 60.38 2k1s s VAL 68 Cb -0.16 -4.52 0.06 0.00 0.00 0.00 0.00 36.38 31.77 2k1s s VAL 68 CO 0.10 -1.13 0.53 0.20 0.00 0.00 0.00 175.10 174.80 2k1s s ASN 69 N 3.21 6.19 -0.63 3.32 0.02 -0.83 -0.35 114.94 125.86 2k1s s ASN 69 Ca 0.16 -1.05 -0.21 0.00 -1.02 0.00 0.00 52.86 50.74 2k1s s ASN 69 Cb -0.17 -2.25 0.08 0.00 0.02 0.00 0.00 41.25 38.93 2k1s s ASN 69 CO -0.01 -0.79 0.86 -0.69 0.02 0.00 0.00 177.10 176.48 2k1s s VAL 70 N 2.25 4.53 -0.28 1.60 1.01 0.81 -0.34 120.40 129.98 2k1s s VAL 70 Ca 0.11 -0.64 -0.08 0.00 0.00 0.00 0.00 61.98 61.38 2k1s s VAL 70 Cb -0.21 -4.60 -0.01 0.00 0.00 0.00 0.00 36.38 31.56 2k1s s VAL 70 CO 0.10 -1.32 0.09 -0.63 0.00 0.00 0.00 175.10 173.34 2k1s s ILE 71 N 3.47 4.21 -0.15 2.22 1.01 -0.76 -1.22 121.20 129.98 2k1s s ILE 71 Ca 0.18 -0.45 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 2k1s s ILE 71 Cb -0.20 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.14 2k1s s ILE 71 CO 0.08 0.17 0.35 -0.83 0.00 0.00 0.00 174.94 174.72 2k1s s GLY 72 N 1.56 2.25 0.17 6.18 0.00 -0.80 -1.33 107.32 115.35 2k1s s GLY 72 Ca 0.04 -0.39 0.08 0.00 0.00 0.00 0.00 44.72 44.45 2k1s s GLY 72 CO 0.03 0.57 -0.05 -0.19 0.00 0.00 0.00 173.10 173.47 2k1s s TYR 73 N 0.61 2.75 -0.21 1.90 2.02 -0.07 -1.58 117.35 122.76 2k1s s TYR 73 Ca 0.19 -0.17 -0.29 0.00 -0.37 0.00 0.00 57.07 56.43 2k1s s TYR 73 Cb -0.14 -1.34 0.14 0.00 -0.40 0.00 0.00 41.96 40.22 2k1s s TYR 73 CO 0.06 0.51 1.10 -0.08 -1.57 0.00 0.00 175.55 175.57 2k1s s THR 74 N -1.68 0.00 0.60 -0.71 -1.32 -0.91 -1.28 115.64 110.35 2k1s s THR 74 Ca 0.26 0.00 -0.19 0.00 -1.21 0.00 0.00 61.69 60.55 2k1s s THR 74 Cb -0.09 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.87 2k1s s THR 74 CO 0.17 0.00 1.22 -0.62 -2.21 0.00 0.00 174.62 173.18 2k1s s ASP 75 N -0.87 5.11 -0.18 8.08 2.15 -1.26 -3.40 116.67 126.29 2k1s s ASP 75 Ca 0.02 2.43 0.17 0.00 0.43 0.00 0.00 52.55 55.59 2k1s s ASP 75 Cb -0.01 -2.60 0.55 0.00 -0.30 0.00 0.00 42.92 40.55 2k1s s ASP 75 CO -0.02 -1.65 1.44 -1.54 -0.17 0.00 0.00 175.17 173.23 2k1s n SER 76 N -1.62 4.01 -4.56 -0.34 3.41 -1.26 -4.91 113.62 108.35 2k1s n SER 76 Ca 0.14 -3.01 -0.41 0.00 -0.26 0.00 0.00 58.87 55.33 2k1s n SER 76 Cb 0.49 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.86 2k1s n SER 76 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2k1s s THR 77 N -2.83 3.66 0.00 6.66 2.01 -1.26 -3.11 115.64 120.77 2k1s s THR 77 Ca 0.43 0.48 0.00 0.00 0.31 0.00 0.00 61.69 62.91 2k1s s THR 77 Cb 0.35 -4.47 0.00 0.00 0.01 0.00 0.00 72.50 68.39 2k1s s THR 77 CO 0.09 -1.33 0.00 0.61 -0.69 0.00 0.00 174.62 173.31 2k1s n GLY 78 N 5.40 4.46 0.00 4.40 0.00 -1.26 -5.02 105.19 113.17 2k1s n GLY 78 Ca 0.11 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.42 2k1s n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k1s n GLY 79 N 0.00 -0.68 0.40 -0.02 0.00 -1.18 -5.02 105.19 98.69 2k1s n GLY 79 Ca 0.00 0.80 0.22 0.00 0.00 0.00 0.00 46.02 47.04 2k1s n GLY 79 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2k1s h HIS 80 N 0.00 0.00 0.03 1.61 2.07 -1.96 0.25 115.15 117.15 2k1s h HIS 80 Ca 0.00 0.00 -0.19 0.00 -2.85 0.00 0.00 60.37 57.33 2k1s h HIS 80 Cb 0.00 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.00 2k1s h HIS 80 CO 0.00 0.00 -0.75 -0.44 -3.07 0.00 0.00 177.93 173.67 2k1s h ASP 81 N 0.00 0.60 -0.61 3.10 3.32 -1.96 -1.15 116.42 119.72 2k1s h ASP 81 Ca 0.25 -0.79 -0.09 0.00 0.02 0.00 0.00 57.03 56.42 2k1s h ASP 81 Cb 1.17 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.51 2k1s h ASP 81 CO -0.00 1.33 0.05 -0.07 -1.72 0.00 0.00 179.24 178.83 2k1s h LEU 82 N -0.05 1.02 -1.11 1.55 3.38 -1.12 -1.35 115.31 117.65 2k1s h LEU 82 Ca -0.10 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.52 2k1s h LEU 82 Cb 1.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 2k1s h LEU 82 CO 0.15 1.05 -0.28 0.78 0.09 0.00 0.00 178.44 180.22 2k1s h ASN 83 N 0.98 0.28 -0.69 -0.43 4.21 -0.72 -1.88 115.58 117.33 2k1s h ASN 83 Ca 0.18 -0.09 -0.04 0.00 1.21 0.00 0.00 56.30 57.57 2k1s h ASN 83 Cb 0.49 -0.08 -0.03 0.00 -1.12 0.00 0.00 38.32 37.59 2k1s h ASN 83 CO 0.02 0.56 0.29 0.24 -1.29 0.00 0.00 177.43 177.25 2k1s h MET 84 N 0.25 1.01 -0.03 0.81 2.86 -0.62 0.19 114.93 119.39 2k1s h MET 84 Ca 0.04 -0.17 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 2k1s h MET 84 Cb 0.63 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 2k1s h MET 84 CO 0.05 0.83 -0.02 0.00 1.06 0.00 0.00 176.91 178.82 2k1s h ARG 85 N 0.97 -0.03 -0.67 1.72 3.08 -0.80 -1.13 114.38 117.53 2k1s h ARG 85 Ca 0.23 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.25 2k1s h ARG 85 Cb 0.18 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.21 2k1s h ARG 85 CO -0.02 -0.02 0.27 1.25 -1.07 0.00 0.00 179.97 180.38 2k1s h LEU 86 N -0.03 0.91 -0.00 3.04 5.85 -1.12 0.37 115.31 124.33 2k1s h LEU 86 Ca 0.02 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.63 2k1s h LEU 86 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 2k1s h LEU 86 CO -0.05 0.81 -0.08 -1.28 -0.34 0.00 0.00 178.44 177.50 2k1s h SER 87 N 0.97 -0.23 -0.35 1.25 0.87 -0.30 0.14 113.55 115.89 2k1s h SER 87 Ca 0.23 0.04 -0.16 0.00 -1.23 0.00 0.00 61.79 60.66 2k1s h SER 87 Cb 0.18 0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2k1s h SER 87 CO -0.02 -0.12 -0.42 -0.61 -0.53 0.00 0.00 176.83 175.13 2k1s h GLN 88 N -0.14 0.91 -0.32 2.24 5.75 -0.85 -2.68 115.11 120.01 2k1s h GLN 88 Ca 0.03 -0.50 0.06 0.00 -0.15 0.00 0.00 58.65 58.09 2k1s h GLN 88 Cb 0.18 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.71 2k1s h GLN 88 CO -0.09 1.15 -0.01 0.37 -2.65 0.00 0.00 178.83 177.60 2k1s h GLN 89 N 0.71 0.08 -0.61 1.69 4.15 -0.07 0.10 115.11 121.17 2k1s h GLN 89 Ca 0.05 -0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.44 2k1s h GLN 89 Cb 1.02 -0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.66 2k1s h GLN 89 CO 0.10 0.05 0.30 0.00 -1.93 0.00 0.00 178.83 177.35 2k1s h ARG 90 N 0.08 0.87 -0.62 1.69 3.08 -0.93 -0.79 114.38 117.76 2k1s h ARG 90 Ca 0.16 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 60.04 2k1s h ARG 90 Cb 0.22 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 2k1s h ARG 90 CO -0.27 0.70 0.23 0.00 -1.07 0.00 0.00 179.97 179.55 2k1s h ALA 91 N 1.13 0.81 -0.51 0.04 0.00 -1.09 -2.62 119.26 117.02 2k1s h ALA 91 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2k1s h ALA 91 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2k1s h ALA 91 CO -0.03 0.45 0.06 0.22 0.00 0.00 0.00 179.25 179.94 2k1s h ASP 92 N 0.88 0.77 -0.64 0.00 3.58 -0.41 -0.91 116.42 119.69 2k1s h ASP 92 Ca 0.21 -0.17 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2k1s h ASP 92 Cb 0.24 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.05 2k1s h ASP 92 CO -0.01 0.81 0.37 0.28 -2.88 0.00 0.00 179.24 177.80 2k1s h SER 93 N 0.77 0.79 -0.27 2.28 0.02 -0.90 0.37 113.55 116.61 2k1s h SER 93 Ca 0.16 -0.08 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2k1s h SER 93 Cb 0.39 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 2k1s h SER 93 CO 0.01 0.64 0.02 0.58 -1.14 0.00 0.00 176.83 176.94 2k1s h VAL 94 N 0.88 1.24 0.11 2.27 2.07 -1.10 -2.36 116.25 119.36 2k1s h VAL 94 Ca 0.23 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.89 2k1s h VAL 94 Cb 0.01 1.28 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2k1s h VAL 94 CO -0.04 0.27 -0.05 0.00 0.02 0.00 0.00 177.57 177.77 2k1s h ALA 95 N 0.84 -0.15 -0.55 1.67 0.00 -0.90 -1.49 119.26 118.69 2k1s h ALA 95 Ca 0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k1s h ALA 95 Cb 0.38 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 2k1s h ALA 95 CO 0.01 -0.57 0.27 0.66 0.00 0.00 0.00 179.25 179.62 2k1s h SER 96 N -0.17 0.68 -0.63 0.00 4.64 -0.96 0.25 113.55 117.35 2k1s h SER 96 Ca -0.02 -0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.21 2k1s h SER 96 Cb 0.14 -0.17 -0.03 0.00 -0.31 0.00 0.00 62.40 62.03 2k1s h SER 96 CO 0.02 0.57 0.24 0.00 -0.87 0.00 0.00 176.83 176.79 2k1s h ALA 97 N 1.54 0.83 0.09 5.18 0.00 -1.13 0.12 119.26 125.88 2k1s h ALA 97 Ca 0.19 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k1s h ALA 97 Cb 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2k1s h ALA 97 CO -0.03 0.46 -0.04 -0.07 0.00 0.00 0.00 179.25 179.57 2k1s h LEU 98 N 0.90 -0.11 -0.77 0.00 3.38 -0.29 -1.04 115.31 117.37 2k1s h LEU 98 Ca 0.21 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 58.07 2k1s h LEU 98 Cb 0.23 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 2k1s h LEU 98 CO -0.01 0.12 0.45 0.40 0.09 0.00 0.00 178.44 179.49 2k1s h ILE 99 N -0.33 0.98 -0.96 1.22 2.04 -0.88 0.01 117.51 119.60 2k1s h ILE 99 Ca -0.01 -0.28 0.03 0.00 1.00 0.00 0.00 64.86 65.59 2k1s h ILE 99 Cb 0.28 0.10 -0.05 0.00 -0.74 0.00 0.00 36.82 36.40 2k1s h ILE 99 CO 0.02 0.15 0.63 0.74 0.00 0.00 0.00 178.15 179.69 2k1s h THR 100 N 0.81 1.20 0.00 -0.27 2.02 -0.61 -2.44 112.91 113.62 2k1s h THR 100 Ca 0.35 -0.43 -0.11 0.00 0.77 0.00 0.00 66.41 66.99 2k1s h THR 100 Cb 0.22 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.45 2k1s h THR 100 CO -0.19 0.23 -0.54 -0.61 0.37 0.00 0.00 175.52 174.78 2k1s h GLN 101 N 1.25 0.00 0.00 6.66 5.75 0.15 -3.46 115.11 125.46 2k1s h GLN 101 Ca 0.37 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.87 2k1s h GLN 101 Cb -0.06 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2k1s h GLN 101 CO -0.11 0.54 0.00 0.41 -2.65 0.00 0.00 178.83 177.02 2k1s n GLY 102 N 0.67 -0.31 3.79 2.39 0.00 -0.29 -5.06 105.19 106.39 2k1s n GLY 102 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2k1s n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k1s s VAL 103 N -0.13 4.69 0.19 1.61 1.01 -0.17 -4.97 120.40 122.63 2k1s s VAL 103 Ca 0.00 1.35 -0.32 0.00 0.00 0.00 0.00 61.98 63.02 2k1s s VAL 103 Cb 0.00 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.30 2k1s s VAL 103 CO 0.00 0.51 1.67 -1.81 0.00 0.00 0.00 175.10 175.47 2k1s s ASP 104 N -0.88 6.46 0.48 3.32 1.11 -1.26 -3.94 116.67 121.96 2k1s s ASP 104 Ca 0.31 2.76 0.26 0.00 0.18 0.00 0.00 52.55 56.06 2k1s s ASP 104 Cb -0.20 -2.60 1.15 0.00 1.07 0.00 0.00 42.92 42.34 2k1s s ASP 104 CO 0.20 -0.92 1.93 0.00 1.18 0.00 0.00 175.17 177.56 2k1s h ALA 105 N 6.91 1.11 0.00 5.23 0.00 -1.93 -2.26 119.26 128.32 2k1s h ALA 105 Ca -0.43 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.32 2k1s h ALA 105 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2k1s h ALA 105 CO 0.94 0.23 -0.01 0.43 0.00 0.00 0.00 179.25 180.83 2k1s n SER 106 N -3.47 0.22 -0.88 0.00 7.64 -1.26 -2.77 113.62 113.10 2k1s n SER 106 Ca -0.01 0.50 0.12 0.00 1.01 0.00 0.00 58.87 60.50 2k1s n SER 106 Cb 0.35 -0.56 0.19 0.00 -1.01 0.00 0.00 64.21 63.19 2k1s n SER 106 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2k1s n ARG 107 N -1.70 2.22 -5.19 1.43 1.74 -0.85 -4.93 116.66 109.37 2k1s n ARG 107 Ca 0.07 -1.77 -0.32 0.00 -0.77 0.00 0.00 57.85 55.06 2k1s n ARG 107 Cb 0.36 -1.47 -0.16 0.00 -1.02 0.00 0.00 32.46 30.18 2k1s n ARG 107 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2k1s s ILE 108 N -1.95 2.29 0.01 0.55 1.01 -1.12 -0.25 121.20 121.73 2k1s s ILE 108 Ca 0.31 -1.00 0.03 0.00 0.00 0.00 0.00 60.65 59.98 2k1s s ILE 108 Cb 0.20 -1.83 -0.01 0.00 0.01 0.00 0.00 42.46 40.83 2k1s s ILE 108 CO 0.31 0.58 -0.08 -0.60 0.00 0.00 0.00 174.94 175.14 2k1s s ARG 109 N -0.41 0.63 -0.18 2.79 3.52 0.52 -4.97 118.95 120.86 2k1s s ARG 109 Ca 0.04 -0.41 -0.02 0.00 -0.13 0.00 0.00 55.73 55.21 2k1s s ARG 109 Cb -0.12 -0.58 -0.01 0.00 -1.56 0.00 0.00 34.95 32.68 2k1s s ARG 109 CO 0.01 0.15 -0.09 0.95 -0.81 0.00 0.00 175.30 175.51 2k1s s THR 110 N -0.45 3.12 -0.17 4.11 -4.23 -1.26 -0.13 115.64 116.63 2k1s s THR 110 Ca 0.01 -0.60 -0.00 0.00 -1.18 0.00 0.00 61.69 59.92 2k1s s THR 110 Cb -0.05 -2.37 0.04 0.00 1.34 0.00 0.00 72.50 71.46 2k1s s THR 110 CO 0.00 0.47 -0.07 -1.10 -0.54 0.00 0.00 174.62 173.39 2k1s s GLN 111 N 1.02 1.61 -0.78 3.99 1.11 -0.35 -4.97 119.66 121.29 2k1s s GLN 111 Ca -0.00 -0.56 -0.26 0.00 0.01 0.00 0.00 55.36 54.54 2k1s s GLN 111 Cb -0.15 -2.06 0.03 0.00 -1.01 0.00 0.00 33.01 29.83 2k1s s GLN 111 CO -0.01 -0.41 1.34 0.20 0.01 0.00 0.00 175.29 176.42 2k1s s GLY 112 N 1.58 0.89 -0.28 3.09 0.00 -1.26 -1.91 107.32 109.44 2k1s s GLY 112 Ca 0.01 -1.46 0.09 0.00 0.00 0.00 0.00 44.72 43.35 2k1s s GLY 112 CO -0.08 2.70 1.32 1.04 0.00 0.00 0.00 173.10 178.08 2k1s n LEU 113 N 9.53 3.93 0.00 0.66 7.99 -0.77 -4.89 117.00 133.44 2k1s n LEU 113 Ca 0.09 -4.12 0.00 0.00 -0.01 0.00 0.00 56.01 51.97 2k1s n LEU 113 Cb 0.49 -0.53 0.00 0.00 -0.11 0.00 0.00 43.42 43.27 2k1s n LEU 113 CO 0.70 1.56 0.37 0.61 -1.51 0.00 0.00 177.39 179.13 2k1s n GLY 114 N -1.01 -3.02 1.26 -0.72 0.00 -0.62 -2.51 105.19 98.57 2k1s n GLY 114 Ca 0.32 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.65 2k1s n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k1s n PRO 115 N -1.56 0.92 -0.02 1.61 -0.04 -1.22 -3.62 135.00 131.07 2k1s n PRO 115 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2k1s n PRO 115 Cb 0.00 -1.04 -0.01 0.00 -0.04 0.00 0.00 33.50 32.41 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k1s n ALA 116 N 1.02 1.77 -3.74 0.55 0.00 -1.04 -4.96 120.51 114.11 2k1s n ALA 116 Ca 0.00 -0.35 -0.35 0.00 0.00 0.00 0.00 53.44 52.73 2k1s n ALA 116 Cb 0.46 0.10 -0.12 0.00 0.00 0.00 0.00 19.45 19.89 2k1s n ALA 116 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2k1s s ASN 117 N -5.58 5.13 -0.31 0.00 0.01 -1.23 -5.07 114.94 107.89 2k1s s ASN 117 Ca -0.11 -1.83 -0.29 0.00 -0.71 0.00 0.00 52.86 49.92 2k1s s ASN 117 Cb 0.02 -1.79 0.00 0.00 0.41 0.00 0.00 41.25 39.89 2k1s s ASN 117 CO 0.17 -0.45 1.35 -2.84 -1.51 0.00 0.00 177.10 173.81 2k1s s PRO 118 N 1.16 3.85 0.36 -0.60 0.02 -1.26 -4.89 135.00 133.64 2k1s s PRO 118 Ca 0.05 1.23 0.19 0.00 0.02 0.00 0.00 61.00 62.49 2k1s s PRO 118 Cb -0.22 -3.92 0.51 0.00 0.02 0.00 0.00 34.50 30.90 2k1s s PRO 118 CO -0.03 -1.21 1.65 0.97 -0.33 0.00 0.00 177.00 178.05 2k1s h ILE 119 N 6.06 0.78 -4.67 2.83 2.10 -1.93 -3.46 117.51 119.22 2k1s h ILE 119 Ca -0.27 -1.67 -0.46 0.00 1.08 0.00 0.00 64.86 63.54 2k1s h ILE 119 Cb 1.10 2.07 -0.13 0.00 -1.09 0.00 0.00 36.82 38.77 2k1s h ILE 119 CO 1.04 0.37 -0.50 0.00 -1.08 0.00 0.00 178.15 177.98 2k1s s ALA 120 N -3.37 1.91 0.42 0.18 0.00 -1.26 -5.05 121.76 114.59 2k1s s ALA 120 Ca 0.02 -1.97 -0.26 0.00 0.00 0.00 0.00 51.96 49.75 2k1s s ALA 120 Cb 0.09 1.41 -0.09 0.00 0.00 0.00 0.00 23.12 24.54 2k1s s ALA 120 CO 0.69 -0.63 1.34 -1.12 0.00 0.00 0.00 175.76 176.05 2k1s s SER 121 N -3.38 6.20 -0.02 0.00 0.01 -1.26 -4.88 113.70 110.36 2k1s s SER 121 Ca 0.39 2.74 0.20 0.00 1.31 0.00 0.00 55.95 60.59 2k1s s SER 121 Cb 0.03 -2.64 -0.29 0.00 0.21 0.00 0.00 66.02 63.33 2k1s s SER 121 CO 0.25 -0.94 0.55 0.59 0.41 0.00 0.00 173.24 174.10 2k1s n ASN 122 N 0.05 0.51 0.05 2.44 4.13 -1.26 -2.36 115.26 118.82 2k1s n ASN 122 Ca 0.04 -0.25 -0.15 0.00 1.68 0.00 0.00 54.58 55.90 2k1s n ASN 122 Cb 0.43 1.69 -0.05 0.00 -1.54 0.00 0.00 39.78 40.31 2k1s n ASN 122 CO 0.00 0.00 0.00 -1.28 0.28 0.00 0.00 177.26 176.26 2k1s h SER 123 N 0.00 0.65 -3.30 6.41 0.87 -1.97 -3.43 113.55 112.78 2k1s h SER 123 Ca 0.00 -0.49 -0.56 0.00 -1.23 0.00 0.00 61.79 59.51 2k1s h SER 123 Cb 0.81 -0.20 -0.04 0.00 -0.44 0.00 0.00 62.40 62.53 2k1s h SER 123 CO 0.00 1.28 -0.13 0.42 -0.53 0.00 0.00 176.83 177.87 2k1s s THR 124 N -3.40 4.93 0.37 2.23 -4.23 -1.26 -4.97 115.64 109.31 2k1s s THR 124 Ca -0.07 0.64 0.19 0.00 -1.18 0.00 0.00 61.69 61.27 2k1s s THR 124 Cb 0.09 -3.68 0.18 0.00 1.34 0.00 0.00 72.50 70.43 2k1s s THR 124 CO 0.88 0.17 1.92 0.00 -0.54 0.00 0.00 174.62 177.05 2k1s h ALA 125 N 3.33 1.34 0.21 3.99 0.00 -1.89 0.08 119.26 126.32 2k1s h ALA 125 Ca -0.48 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.20 2k1s h ALA 125 Cb 1.19 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k1s h ALA 125 CO 0.67 0.31 -0.19 0.93 0.00 0.00 0.00 179.25 180.97 2k1s h GLU 126 N 0.00 -0.41 -0.14 0.00 4.39 -1.93 0.04 114.58 116.52 2k1s h GLU 126 Ca -0.00 0.03 -0.17 0.00 0.34 0.00 0.00 59.36 59.56 2k1s h GLU 126 Cb 0.53 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.26 2k1s h GLU 126 CO 0.03 -0.27 -0.61 0.78 -1.16 0.00 0.00 179.01 177.77 2k1s h GLY 127 N -0.43 0.54 0.56 -3.84 0.00 -1.57 -2.57 103.07 95.76 2k1s h GLY 127 Ca -0.00 -0.67 0.09 0.00 0.00 0.00 0.00 47.33 46.74 2k1s h GLY 127 CO -0.04 0.60 0.53 1.70 0.00 0.00 0.00 176.54 179.34 2k1s h LYS 128 N 0.37 0.87 -0.45 4.80 3.64 -0.59 0.33 116.57 125.53 2k1s h LYS 128 Ca -0.01 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.18 2k1s h LYS 128 Cb 1.17 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 2k1s h LYS 128 CO 0.11 0.57 -0.28 0.00 -2.27 0.00 0.00 179.45 177.59 2k1s h ALA 129 N 1.47 0.64 -0.22 5.00 0.00 -0.90 -3.09 119.26 122.15 2k1s h ALA 129 Ca 0.42 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2k1s h ALA 129 Cb 0.34 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2k1s h ALA 129 CO -0.23 0.67 -0.33 1.96 0.00 0.00 0.00 179.25 181.32 2k1s h GLN 130 N 0.82 0.45 -0.07 0.00 4.20 -0.82 -2.96 115.11 116.72 2k1s h GLN 130 Ca 0.09 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.53 2k1s h GLN 130 Cb 0.87 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 2k1s h GLN 130 CO 0.08 0.72 -0.33 -0.91 -0.67 0.00 0.00 178.83 177.72 2k1s h ASN 131 N 0.39 0.14 -1.43 1.46 2.35 -0.36 -3.38 115.58 114.74 2k1s h ASN 131 Ca 0.05 -0.05 -0.53 0.00 -0.55 0.00 0.00 56.30 55.23 2k1s h ASN 131 Cb 0.76 -0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.01 2k1s h ASN 131 CO 0.06 0.47 1.25 -0.13 -1.65 0.00 0.00 177.43 177.43 2k1s s ARG 132 N -4.29 3.24 0.24 0.81 0.52 -1.12 -2.13 118.95 116.22 2k1s s ARG 132 Ca -0.04 -0.62 -0.17 0.00 -0.52 0.00 0.00 55.73 54.39 2k1s s ARG 132 Cb 0.14 -4.94 0.01 0.00 0.52 0.00 0.00 34.95 30.69 2k1s s ARG 132 CO 0.74 -2.44 0.57 -0.98 0.02 0.00 0.00 175.30 173.21 2k1s s ARG 133 N 5.68 1.58 -0.16 3.54 1.70 -0.40 -4.14 118.95 126.75 2k1s s ARG 133 Ca 0.49 -1.07 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 2k1s s ARG 133 Cb -0.04 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 34.90 2k1s s ARG 133 CO 0.00 -0.68 -0.09 0.08 -1.08 0.00 0.00 175.30 173.53 2k1s s VAL 134 N -3.95 1.32 -0.26 4.99 1.01 -1.11 -0.90 120.40 121.50 2k1s s VAL 134 Ca 0.15 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 2k1s s VAL 134 Cb -0.02 -1.36 0.02 0.00 0.00 0.00 0.00 36.38 35.01 2k1s s VAL 134 CO 0.05 0.28 -0.03 -1.61 0.00 0.00 0.00 175.10 173.79 2k1s s GLU 135 N 1.57 2.90 -0.47 2.72 2.02 -0.44 -0.38 118.70 126.62 2k1s s GLU 135 Ca 0.02 -0.94 -0.24 0.00 0.02 0.00 0.00 54.97 53.84 2k1s s GLU 135 Cb -0.14 -3.06 0.03 0.00 0.10 0.00 0.00 34.13 31.06 2k1s s GLU 135 CO -0.09 -0.40 0.84 0.42 0.02 0.00 0.00 175.26 176.06 2k1s s ILE 136 N 1.36 4.56 -0.58 -1.63 1.01 0.63 -1.83 121.20 124.72 2k1s s ILE 136 Ca 0.01 0.45 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 2k1s s ILE 136 Cb -0.17 -4.39 0.06 0.00 0.01 0.00 0.00 42.46 37.98 2k1s s ILE 136 CO -0.03 -0.82 0.84 -0.89 0.00 0.00 0.00 174.94 174.04 2k1s s THR 137 N 3.50 4.54 -0.52 2.92 2.01 0.54 -0.92 115.64 127.71 2k1s s THR 137 Ca 0.31 -0.30 -0.21 0.00 0.31 0.00 0.00 61.69 61.80 2k1s s THR 137 Cb -0.12 -4.53 0.05 0.00 0.01 0.00 0.00 72.50 67.92 2k1s s THR 137 CO 0.23 -1.16 0.73 -0.76 -0.69 0.00 0.00 174.62 172.96 2k1s s LEU 138 N 3.50 4.68 0.15 4.42 1.43 0.22 -1.97 118.68 131.10 2k1s s LEU 138 Ca 0.21 -0.73 0.09 0.00 -1.03 0.00 0.00 54.13 52.68 2k1s s LEU 138 Cb -0.17 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.43 2k1s s LEU 138 CO 0.13 -1.01 -0.17 -0.44 0.23 0.00 0.00 176.35 175.09 2k1s s SER 139 N 2.75 3.91 0.35 2.29 0.01 -0.96 -1.27 113.70 120.77 2k1s s SER 139 Ca 0.20 -0.61 -0.28 0.00 1.31 0.00 0.00 55.95 56.57 2k1s s SER 139 Cb -0.17 -0.54 -0.10 0.00 0.21 0.00 0.00 66.02 65.42 2k1s s SER 139 CO 0.14 0.15 1.32 -2.84 0.41 0.00 0.00 173.24 172.42 2k1s s PRO 140 N -2.40 4.25 -0.30 12.44 0.02 -1.26 0.49 135.00 148.24 2k1s s PRO 140 Ca 0.20 2.23 -0.31 0.00 0.02 0.00 0.00 61.00 63.13 2k1s s PRO 140 Cb -0.10 -2.99 -0.08 0.00 0.02 0.00 0.00 34.50 31.35 2k1s s PRO 140 CO 0.11 -0.28 2.22 1.28 -0.33 0.00 0.00 177.00 180.01 2k1s n LEU 141 N 0.62 2.66 -4.55 -5.54 4.77 -0.26 -4.69 117.00 110.02 2k1s n LEU 141 Ca 0.01 0.26 -0.40 0.00 -0.03 0.00 0.00 56.01 55.85 2k1s n LEU 141 Cb 0.42 -1.42 -0.03 0.00 -2.33 0.00 0.00 43.42 40.06 2k1s n LEU 141 CO 0.59 -0.75 1.34 -0.76 -1.33 0.00 0.00 177.39 176.47 2k1s s LEU 142 N 8.06 3.22 -0.23 2.23 1.02 -1.26 -4.33 118.68 127.39 2k1s s LEU 142 Ca 1.05 -0.28 -0.07 0.00 0.02 0.00 0.00 54.13 54.86 2k1s s LEU 142 Cb -0.58 -2.55 0.03 0.00 0.02 0.00 0.00 46.19 43.11 2k1s s LEU 142 CO 0.41 -2.02 0.13 -0.62 0.02 0.00 0.00 176.35 174.27 2k1s n GLU 143 N 9.27 -3.99 -1.58 1.70 1.02 -1.26 -4.93 120.64 120.86 2k1s n GLU 143 Ca 0.12 3.09 -0.37 0.00 -0.02 0.00 0.00 57.16 59.98 2k1s n GLU 143 Cb 0.50 -5.04 0.07 0.00 -0.02 0.00 0.00 31.44 26.95 2k1s n GLU 143 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2k1s n HIS 144 N 1.30 1.32 -1.52 -0.32 1.44 -1.26 -4.79 115.22 111.38 2k1s n HIS 144 Ca -0.23 0.42 -0.52 0.00 -2.01 0.00 0.00 57.72 55.38 2k1s n HIS 144 Cb 0.36 -2.18 -0.07 0.00 0.12 0.00 0.00 29.99 28.22 2k1s n HIS 144 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2k1s n HIS 145 N -2.11 1.78 -3.72 -1.40 1.44 -1.26 -4.90 115.22 105.05 2k1s n HIS 145 Ca 0.15 0.30 -0.37 0.00 -2.01 0.00 0.00 57.72 55.78 2k1s n HIS 145 Cb 0.48 -2.53 -0.11 0.00 0.12 0.00 0.00 29.99 27.95 2k1s n HIS 145 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2k1s s HIS 146 N 6.16 3.55 -0.41 -1.40 -0.00 -1.26 -5.00 115.29 116.93 2k1s s HIS 146 Ca 1.05 -2.30 0.01 0.00 -0.00 0.00 0.00 55.06 53.83 2k1s s HIS 146 Cb -0.89 -3.29 0.14 0.00 -0.00 0.00 0.00 32.58 28.54 2k1s s HIS 146 CO 0.53 -0.98 0.23 -1.01 -0.00 0.00 0.00 174.74 173.51 2k1s s HIS 147 N 1.19 1.57 0.00 0.38 3.76 -1.26 -4.84 115.29 116.09 2k1s s HIS 147 Ca 0.08 -2.16 0.00 0.00 -0.15 0.00 0.00 55.06 52.82 2k1s s HIS 147 Cb -0.24 -1.57 0.00 0.00 1.11 0.00 0.00 32.58 31.88 2k1s s HIS 147 CO -0.03 -0.80 0.48 0.72 -0.85 0.00 0.00 174.74 174.26 2k1s n HIS 148 N 3.72 0.00 0.35 1.40 8.25 -1.26 -5.33 115.22 122.34 2k1s n HIS 148 Ca 0.10 -0.09 0.04 0.00 -0.26 0.00 0.00 57.72 57.51 2k1s n HIS 148 Cb 0.35 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.49 2k1s n HIS 148 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70