#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k1s s TYR 2 N 0.00 2.47 0.00 -3.48 5.04 -1.26 -2.02 117.35 118.10 2k1s s TYR 2 Ca 0.00 1.53 0.00 0.00 -2.44 0.00 0.00 57.07 56.16 2k1s s TYR 2 Cb 0.00 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 38.90 2k1s s TYR 2 CO 0.00 -2.02 0.00 -0.12 -1.34 0.00 0.00 175.55 172.07 2k1s n MET 3 N -1.58 0.00 -0.16 4.97 1.56 -1.26 -4.53 117.12 116.11 2k1s n MET 3 Ca 0.13 0.00 -0.09 0.00 -0.27 0.00 0.00 57.70 57.47 2k1s n MET 3 Cb 0.50 -0.06 0.01 0.00 2.15 0.00 0.00 33.22 35.82 2k1s n MET 3 CO 0.00 0.00 0.00 -0.44 -0.73 0.00 0.00 175.97 174.80 2k1s h ASP 4 N 0.00 0.66 0.23 6.12 5.19 -1.97 -2.39 116.42 124.26 2k1s h ASP 4 Ca 0.00 -0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.19 2k1s h ASP 4 Cb 0.00 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.33 2k1s h ASP 4 CO 0.00 0.65 -0.19 1.62 -3.12 0.00 0.00 179.24 178.20 2k1s h VAL 5 N 0.62 1.04 -0.53 -1.35 3.04 -1.64 -1.92 116.25 115.50 2k1s h VAL 5 Ca 0.16 -0.68 -0.12 0.00 -1.01 0.00 0.00 66.70 65.05 2k1s h VAL 5 Cb 0.21 1.38 -0.02 0.00 -2.01 0.00 0.00 31.29 30.85 2k1s h VAL 5 CO -0.01 0.19 -0.13 1.56 -1.01 0.00 0.00 177.57 178.17 2k1s h GLN 6 N 0.00 1.02 -0.60 4.17 4.20 -1.74 -1.35 115.11 120.80 2k1s h GLN 6 Ca -0.00 -0.39 0.03 0.00 0.06 0.00 0.00 58.65 58.35 2k1s h GLN 6 Cb 0.36 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.04 2k1s h GLN 6 CO 0.02 1.07 0.37 1.49 -0.67 0.00 0.00 178.83 181.11 2k1s h GLU 7 N 0.90 0.70 -0.14 1.46 4.22 -0.88 0.32 114.58 121.15 2k1s h GLU 7 Ca 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 59.36 59.52 2k1s h GLU 7 Cb 0.70 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 2k1s h GLU 7 CO 0.05 0.46 0.04 0.00 -2.18 0.00 0.00 179.01 177.38 2k1s h ALA 8 N 1.27 0.19 -0.01 2.92 0.00 -1.28 -1.48 119.26 120.86 2k1s h ALA 8 Ca 0.24 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2k1s h ALA 8 Cb 0.03 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k1s h ALA 8 CO -0.11 -0.19 0.00 0.87 0.00 0.00 0.00 179.25 179.83 2k1s h LYS 9 N 0.04 0.02 -0.96 0.00 1.57 -0.86 -2.38 116.57 114.00 2k1s h LYS 9 Ca 0.04 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2k1s h LYS 9 Cb 0.24 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.50 2k1s h LYS 9 CO -0.00 0.25 0.60 -0.07 -0.57 0.00 0.00 179.45 179.65 2k1s h LEU 10 N -0.20 1.14 -0.56 2.94 3.38 -0.41 0.25 115.31 121.85 2k1s h LEU 10 Ca 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k1s h LEU 10 Cb 0.23 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2k1s h LEU 10 CO 0.00 0.86 0.34 -0.09 0.09 0.00 0.00 178.44 179.64 2k1s h ARG 11 N 1.32 0.75 0.03 1.13 2.43 -1.13 0.47 114.38 119.38 2k1s h ARG 11 Ca 0.35 -0.07 -0.23 0.00 -0.81 0.00 0.00 59.98 59.22 2k1s h ARG 11 Cb -0.09 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.28 2k1s h ARG 11 CO -0.07 0.54 -1.13 -0.44 -1.51 0.00 0.00 179.97 177.36 2k1s h ASP 12 N 0.75 0.11 -0.40 -3.80 3.32 -1.07 -2.43 116.42 112.90 2k1s h ASP 12 Ca 0.20 -0.12 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 2k1s h ASP 12 Cb -0.02 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2k1s h ASP 12 CO -0.04 1.10 -0.33 0.11 -1.72 0.00 0.00 179.24 178.36 2k1s h LYS 13 N 0.02 0.94 0.00 3.56 1.57 -0.29 -3.39 116.57 118.98 2k1s h LYS 13 Ca -0.07 -0.46 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 2k1s h LYS 13 Cb 1.84 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.15 2k1s h LYS 13 CO 0.14 1.12 0.00 -1.33 -0.57 0.00 0.00 179.45 178.81 2k1s n MET 14 N -4.07 0.00 0.00 3.15 2.81 0.14 -4.85 117.12 114.30 2k1s n MET 14 Ca -0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.88 2k1s n MET 14 Cb 0.51 -0.20 0.00 0.00 -0.71 0.00 0.00 33.22 32.82 2k1s n MET 14 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2k1s n ARG 15 N -0.22 0.00 -0.21 0.03 0.63 -0.92 -2.46 116.66 113.51 2k1s n ARG 15 Ca 0.00 0.00 0.03 0.00 -0.92 0.00 0.00 57.85 56.96 2k1s n ARG 15 Cb 0.00 0.00 0.13 0.00 0.45 0.00 0.00 32.46 33.04 2k1s n ARG 15 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k1s n GLY 16 N 0.00 1.01 0.06 5.14 0.00 -1.26 -3.55 105.19 106.59 2k1s n GLY 16 Ca 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 46.02 45.65 2k1s n GLY 16 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k1s h THR 17 N 1.47 1.69 0.00 2.61 1.35 -1.82 -3.47 112.91 114.73 2k1s h THR 17 Ca 0.00 -3.39 0.00 0.00 -0.55 0.00 0.00 66.41 62.47 2k1s h THR 17 Cb 0.64 2.83 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 2k1s h THR 17 CO 0.08 0.96 0.00 0.61 -0.25 0.00 0.00 175.52 176.92 2k1s n GLY 18 N 1.35 1.15 3.65 5.82 0.00 -1.23 -5.06 105.19 110.85 2k1s n GLY 18 Ca -0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.13 4.33 0.06 1.61 1.01 -1.26 -4.79 120.40 119.23 2k1s s VAL 19 Ca 0.00 1.56 -0.26 0.00 0.00 0.00 0.00 61.98 63.28 2k1s s VAL 19 Cb 0.00 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 2k1s s VAL 19 CO 0.00 -0.32 0.83 -0.44 0.00 0.00 0.00 175.10 175.17 2k1s s SER 20 N 2.08 7.29 -0.50 3.32 0.01 -0.99 -4.53 113.70 120.38 2k1s s SER 20 Ca 0.52 1.54 -0.16 0.00 1.31 0.00 0.00 55.95 59.16 2k1s s SER 20 Cb -0.17 -2.50 0.08 0.00 0.21 0.00 0.00 66.02 63.63 2k1s s SER 20 CO 0.16 -0.02 0.47 -0.69 0.41 0.00 0.00 173.24 173.57 2k1s s VAL 21 N 0.03 5.14 -0.24 3.43 1.01 -1.26 -0.21 120.40 128.30 2k1s s VAL 21 Ca 0.41 -1.02 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 2k1s s VAL 21 Cb -0.21 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 31.92 2k1s s VAL 21 CO 0.25 -0.69 0.12 -0.89 0.00 0.00 0.00 175.10 173.88 2k1s s THR 22 N 1.88 4.90 -0.29 3.92 2.01 0.93 -4.99 115.64 124.00 2k1s s THR 22 Ca 0.06 0.02 -0.08 0.00 0.31 0.00 0.00 61.69 62.01 2k1s s THR 22 Cb -0.24 -3.29 -0.00 0.00 0.01 0.00 0.00 72.50 68.98 2k1s s THR 22 CO 0.07 0.34 0.10 -0.13 -0.69 0.00 0.00 174.62 174.31 2k1s s ARG 23 N 1.29 3.24 0.39 4.92 1.81 -1.26 -0.12 118.95 129.22 2k1s s ARG 23 Ca 0.06 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 53.31 2k1s s ARG 23 Cb -0.14 -3.41 -0.02 0.00 -0.45 0.00 0.00 34.95 30.92 2k1s s ARG 23 CO 0.05 -0.39 0.60 -1.12 -0.68 0.00 0.00 175.30 173.76 2k1s s SER 24 N 1.55 6.15 0.34 0.23 0.01 0.23 -4.99 113.70 117.22 2k1s s SER 24 Ca 0.04 0.43 0.15 0.00 1.31 0.00 0.00 55.95 57.88 2k1s s SER 24 Cb -0.17 -1.89 1.14 0.00 0.21 0.00 0.00 66.02 65.32 2k1s s SER 24 CO 0.03 -0.44 1.54 0.61 0.41 0.00 0.00 173.24 175.39 2k1s n GLY 25 N -1.91 -0.91 0.18 3.44 0.00 -1.26 -2.39 105.19 102.34 2k1s n GLY 25 Ca -0.02 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.84 2k1s n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2k1s n ASP 26 N -5.28 0.02 -4.03 1.61 5.75 -1.26 -5.06 116.55 108.30 2k1s n ASP 26 Ca 0.33 -1.38 -0.29 0.00 -0.01 0.00 0.00 54.79 53.44 2k1s n ASP 26 Cb 1.10 -0.07 -0.17 0.00 -1.03 0.00 0.00 41.12 40.95 2k1s n ASP 26 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2k1s s ASN 27 N -0.38 2.55 -0.41 -1.12 2.47 -1.00 -4.36 114.94 112.68 2k1s s ASN 27 Ca 0.00 -0.45 -0.17 0.00 0.42 0.00 0.00 52.86 52.66 2k1s s ASN 27 Cb 0.00 -1.12 0.02 0.00 -1.45 0.00 0.00 41.25 38.70 2k1s s ASN 27 CO 0.00 -0.03 0.45 -0.63 -3.72 0.00 0.00 177.10 173.17 2k1s s ILE 28 N 1.28 5.07 -0.44 -5.21 1.01 0.25 -0.60 121.20 122.55 2k1s s ILE 28 Ca -0.00 -0.26 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 2k1s s ILE 28 Cb -0.14 -4.03 0.06 0.00 0.01 0.00 0.00 42.46 38.36 2k1s s ILE 28 CO -0.06 -0.41 0.33 -0.63 0.00 0.00 0.00 174.94 174.17 2k1s s ILE 29 N 2.19 4.93 -0.42 2.92 1.01 0.83 0.27 121.20 132.93 2k1s s ILE 29 Ca 0.13 -1.07 -0.18 0.00 0.00 0.00 0.00 60.65 59.53 2k1s s ILE 29 Cb -0.17 -3.91 0.02 0.00 0.01 0.00 0.00 42.46 38.41 2k1s s ILE 29 CO 0.14 -0.49 0.50 -0.76 0.00 0.00 0.00 174.94 174.33 2k1s s LEU 30 N 1.59 4.74 -0.76 2.97 1.43 0.26 -0.05 118.68 128.86 2k1s s LEU 30 Ca 0.04 -0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 52.32 2k1s s LEU 30 Cb -0.23 -2.49 0.02 0.00 0.03 0.00 0.00 46.19 43.52 2k1s s LEU 30 CO 0.06 -0.63 1.40 0.20 0.23 0.00 0.00 176.35 177.61 2k1s s ASN 31 N 1.86 6.04 -0.34 2.29 -0.87 0.70 -2.05 114.94 122.58 2k1s s ASN 31 Ca 0.15 -0.45 -0.18 0.00 -1.57 0.00 0.00 52.86 50.81 2k1s s ASN 31 Cb -0.16 -2.56 -0.00 0.00 -0.02 0.00 0.00 41.25 38.51 2k1s s ASN 31 CO 0.15 -1.90 0.53 -0.04 -2.57 0.00 0.00 177.10 173.26 2k1s s MET 32 N 5.88 3.66 -0.12 -0.60 -1.94 -0.89 -2.35 119.30 122.93 2k1s s MET 32 Ca 0.42 -0.10 -0.29 0.00 -1.71 0.00 0.00 55.69 54.01 2k1s s MET 32 Cb -0.08 -3.80 -0.03 0.00 2.01 0.00 0.00 34.83 32.94 2k1s s MET 32 CO 0.13 -0.63 1.36 -2.14 -0.01 0.00 0.00 175.02 173.73 2k1s s PRO 33 N 2.42 4.23 0.54 2.03 0.02 -1.26 -1.66 135.00 141.31 2k1s s PRO 33 Ca 0.19 1.81 0.20 0.00 0.02 0.00 0.00 61.00 63.22 2k1s s PRO 33 Cb -0.15 -3.79 1.40 0.00 0.02 0.00 0.00 34.50 31.98 2k1s s PRO 33 CO 0.13 -0.71 2.16 -2.95 -0.33 0.00 0.00 177.00 175.30 2k1s h ASN 34 N 8.43 0.00 1.54 2.53 -1.07 -1.90 -1.54 115.58 123.57 2k1s h ASN 34 Ca -0.31 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.03 2k1s h ASN 34 Cb 1.13 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.38 2k1s h ASN 34 CO 0.96 0.00 -0.15 -1.13 0.07 0.00 0.00 177.43 177.18 2k1s h ASN 35 N 0.00 0.00 0.01 6.14 -1.24 -1.91 -0.77 115.58 117.80 2k1s h ASN 35 Ca 0.01 0.00 -0.35 0.00 0.71 0.00 0.00 56.30 56.68 2k1s h ASN 35 Cb 0.06 0.00 -0.07 0.00 0.73 0.00 0.00 38.32 39.04 2k1s h ASN 35 CO -0.00 0.15 -2.36 1.33 -1.29 0.00 0.00 177.43 175.26 2k1s n VAL 36 N -3.17 1.32 -0.03 2.57 0.24 -0.66 -4.49 118.33 114.11 2k1s n VAL 36 Ca 0.02 -0.84 -0.16 0.00 -2.04 0.00 0.00 64.34 61.33 2k1s n VAL 36 Cb 0.52 -0.45 -0.12 0.00 -1.47 0.00 0.00 33.84 32.32 2k1s n VAL 36 CO 0.00 0.00 0.00 0.74 -2.14 0.00 0.00 176.83 175.43 2k1s h THR 37 N 0.00 1.61 -4.96 3.34 2.02 -1.35 -3.25 112.91 110.31 2k1s h THR 37 Ca -0.52 -2.13 -0.36 0.00 0.77 0.00 0.00 66.41 64.18 2k1s h THR 37 Cb 2.18 2.99 -0.04 0.00 -1.74 0.00 0.00 68.15 71.53 2k1s h THR 37 CO 0.03 0.58 -0.20 0.49 0.37 0.00 0.00 175.52 176.79 2k1s n PHE 38 N -4.48 -0.47 -2.98 3.16 3.72 -0.30 -2.14 117.46 113.97 2k1s n PHE 38 Ca -0.10 -1.41 -0.35 0.00 -0.05 0.00 0.00 57.45 55.53 2k1s n PHE 38 Cb 0.54 -0.25 -0.06 0.00 -0.94 0.00 0.00 39.48 38.77 2k1s n PHE 38 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k1s s ASP 39 N -2.84 7.09 0.29 4.37 2.15 0.10 -4.57 116.67 123.25 2k1s s ASP 39 Ca 0.13 1.56 0.02 0.00 0.43 0.00 0.00 52.55 54.69 2k1s s ASP 39 Cb -0.01 -2.47 0.61 0.00 -0.30 0.00 0.00 42.92 40.74 2k1s s ASP 39 CO 0.08 -0.08 1.81 0.28 -0.17 0.00 0.00 175.17 177.09 2k1s h SER 40 N 2.99 0.84 0.00 -0.34 0.02 -1.84 -2.35 113.55 112.87 2k1s h SER 40 Ca -0.48 0.07 -0.16 0.00 -0.84 0.00 0.00 61.79 60.38 2k1s h SER 40 Cb 1.19 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.61 2k1s h SER 40 CO 0.65 0.40 -1.59 -1.54 -1.14 0.00 0.00 176.83 173.60 2k1s n SER 41 N -4.69 3.00 0.23 3.07 3.41 -1.26 -4.67 113.62 112.72 2k1s n SER 41 Ca 0.20 -0.04 0.15 0.00 -0.26 0.00 0.00 58.87 58.92 2k1s n SER 41 Cb 0.43 -0.18 0.47 0.00 -0.26 0.00 0.00 64.21 64.68 2k1s n SER 41 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 2k1s h SER 42 N -0.03 0.00 -0.82 4.04 0.87 -1.98 -3.46 113.55 112.16 2k1s h SER 42 Ca -0.23 0.00 -0.35 0.00 -1.23 0.00 0.00 61.79 59.97 2k1s h SER 42 Cb 1.35 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.17 2k1s h SER 42 CO -0.05 0.00 -0.32 0.00 -0.53 0.00 0.00 176.83 175.93 2k1s n ALA 43 N -2.04 -0.26 -2.53 6.23 0.00 -0.89 -4.91 120.51 116.11 2k1s n ALA 43 Ca 0.02 0.28 -0.38 0.00 0.00 0.00 0.00 53.44 53.36 2k1s n ALA 43 Cb 0.38 -1.79 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 2k1s n ALA 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2k1s s THR 44 N -2.64 5.02 0.12 0.00 2.01 -1.26 -4.66 115.64 114.23 2k1s s THR 44 Ca 0.00 0.97 -0.31 0.00 0.31 0.00 0.00 61.69 62.66 2k1s s THR 44 Cb 0.00 -3.79 -0.09 0.00 0.01 0.00 0.00 72.50 68.62 2k1s s THR 44 CO 0.00 0.48 1.60 -0.76 -0.69 0.00 0.00 174.62 175.25 2k1s s LEU 45 N -0.45 4.37 0.39 4.42 1.43 -1.26 0.02 118.68 127.60 2k1s s LEU 45 Ca 0.26 2.54 -0.01 0.00 -1.03 0.00 0.00 54.13 55.89 2k1s s LEU 45 Cb -0.17 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.44 2k1s s LEU 45 CO 0.14 -0.85 0.62 -1.59 0.23 0.00 0.00 176.35 174.90 2k1s s LYS 46 N 1.83 3.45 0.24 1.70 -2.85 -0.91 -4.84 119.74 118.37 2k1s s LYS 46 Ca 0.72 -0.21 -0.12 0.00 -1.00 0.00 0.00 55.97 55.35 2k1s s LYS 46 Cb -0.42 -2.58 0.34 0.00 -2.06 0.00 0.00 37.83 33.11 2k1s s LYS 46 CO 0.32 0.01 1.58 -1.35 0.10 0.00 0.00 175.35 176.01 2k1s h PRO 47 N 0.58 -0.02 0.35 1.78 0.11 -1.93 0.24 132.00 133.11 2k1s h PRO 47 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.62 2k1s h PRO 47 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2k1s h PRO 47 CO 0.61 -0.01 -0.27 0.00 -0.21 0.00 0.00 178.00 178.12 2k1s h ALA 48 N 1.72 -0.62 -0.98 -0.75 0.00 -1.93 -0.72 119.26 115.99 2k1s h ALA 48 Ca 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2k1s h ALA 48 Cb 0.62 0.36 -0.05 0.00 0.00 0.00 0.00 17.79 18.72 2k1s h ALA 48 CO -0.88 -0.87 0.62 0.78 0.00 0.00 0.00 179.25 178.90 2k1s h GLY 49 N -0.62 1.40 0.93 0.00 0.00 -1.30 -0.11 103.07 103.36 2k1s h GLY 49 Ca -0.03 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 2k1s h GLY 49 CO -0.01 0.54 0.14 0.00 0.00 0.00 0.00 176.54 177.21 2k1s h ALA 50 N 1.34 0.40 0.00 3.60 0.00 -0.36 0.01 119.26 124.25 2k1s h ALA 50 Ca 0.35 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.06 2k1s h ALA 50 Cb -0.11 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2k1s h ALA 50 CO -0.07 -0.02 -0.47 -0.91 0.00 0.00 0.00 179.25 177.78 2k1s h ASN 51 N 0.36 0.00 -0.33 0.00 2.35 -0.86 0.11 115.58 117.21 2k1s h ASN 51 Ca 0.11 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.83 2k1s h ASN 51 Cb 0.14 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 2k1s h ASN 51 CO -0.01 0.47 0.10 0.74 -1.65 0.00 0.00 177.43 177.08 2k1s h THR 52 N 0.00 1.21 -0.19 2.81 2.02 -0.66 -2.55 112.91 115.54 2k1s h THR 52 Ca -0.00 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.45 2k1s h THR 52 Cb 0.96 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 68.38 2k1s h THR 52 CO 0.06 0.23 -0.11 -0.07 0.37 0.00 0.00 175.52 176.00 2k1s h LEU 53 N 0.38 0.29 -0.64 2.58 3.38 -0.53 -2.47 115.31 118.30 2k1s h LEU 53 Ca 0.11 -0.06 0.05 0.00 0.09 0.00 0.00 57.88 58.06 2k1s h LEU 53 Cb 0.25 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 2k1s h LEU 53 CO -0.00 0.43 0.37 0.74 0.09 0.00 0.00 178.44 180.07 2k1s h THR 54 N 0.29 1.01 -0.50 0.22 2.02 -0.63 0.30 112.91 115.62 2k1s h THR 54 Ca 0.06 -0.24 -0.03 0.00 0.77 0.00 0.00 66.41 66.97 2k1s h THR 54 Cb 0.37 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 2k1s h THR 54 CO 0.02 0.13 0.21 1.23 0.37 0.00 0.00 175.52 177.48 2k1s h GLY 55 N 0.70 0.80 0.96 2.16 0.00 -1.06 -1.11 103.07 105.52 2k1s h GLY 55 Ca 0.28 -0.42 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2k1s h GLY 55 CO -0.15 0.40 0.19 -2.08 0.00 0.00 0.00 176.54 174.90 2k1s h VAL 56 N 0.67 1.15 -0.56 4.60 2.07 -1.11 -2.66 116.25 120.40 2k1s h VAL 56 Ca 0.17 -0.40 0.01 0.00 0.82 0.00 0.00 66.70 67.30 2k1s h VAL 56 Cb 0.17 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.68 2k1s h VAL 56 CO -0.02 0.15 0.37 0.00 0.02 0.00 0.00 177.57 178.10 2k1s h ALA 57 N 1.05 1.61 -0.50 1.67 0.00 -0.18 -1.36 119.26 121.55 2k1s h ALA 57 Ca 0.12 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2k1s h ALA 57 Cb 0.08 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2k1s h ALA 57 CO -0.02 0.36 0.29 0.52 0.00 0.00 0.00 179.25 180.40 2k1s h MET 58 N 0.75 0.68 -0.47 0.00 2.86 -0.88 -1.42 114.93 116.44 2k1s h MET 58 Ca 0.21 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2k1s h MET 58 Cb -0.07 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.43 2k1s h MET 58 CO -0.05 0.50 0.20 0.28 1.06 0.00 0.00 176.91 178.91 2k1s h VAL 59 N 0.66 1.17 0.00 -2.22 2.07 -0.97 0.66 116.25 117.63 2k1s h VAL 59 Ca 0.18 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2k1s h VAL 59 Cb 0.01 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.37 2k1s h VAL 59 CO -0.03 0.20 -0.06 -0.07 0.02 0.00 0.00 177.57 177.64 2k1s h LEU 60 N 0.67 0.00 0.00 2.57 3.38 -0.61 0.11 115.31 121.42 2k1s h LEU 60 Ca 0.16 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 2k1s h LEU 60 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2k1s h LEU 60 CO -0.02 0.06 -1.52 0.29 0.09 0.00 0.00 178.44 177.34 2k1s n LYS 61 N -3.18 0.63 -0.07 1.13 5.02 -0.53 -3.55 118.16 117.60 2k1s n LYS 61 Ca 0.00 0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 56.34 2k1s n LYS 61 Cb 0.33 -1.77 -0.06 0.00 -0.02 0.00 0.00 35.03 33.52 2k1s n LYS 61 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2k1s h GLU 62 N 0.00 0.46 -4.00 1.97 5.08 -0.26 -3.41 114.58 114.42 2k1s h GLU 62 Ca -0.18 -0.22 -0.59 0.00 -1.00 0.00 0.00 59.36 57.37 2k1s h GLU 62 Cb 1.57 -0.01 -0.39 0.00 0.50 0.00 0.00 28.75 30.42 2k1s h GLU 62 CO 0.04 0.77 -0.76 0.71 -1.00 0.00 0.00 179.01 178.76 2k1s s TYR 63 N -4.50 2.15 -1.42 4.33 2.02 0.31 -5.01 117.35 115.24 2k1s s TYR 63 Ca -0.14 -1.80 0.28 0.00 -0.37 0.00 0.00 57.07 55.04 2k1s s TYR 63 Cb 0.07 -1.74 1.02 0.00 -0.40 0.00 0.00 41.96 40.90 2k1s s TYR 63 CO 0.77 -0.81 1.74 -0.35 -1.57 0.00 0.00 175.55 175.33 2k1s n PRO 64 N 4.73 0.45 -1.01 -1.71 -0.04 -1.23 -4.20 135.00 131.98 2k1s n PRO 64 Ca -0.06 -0.18 -0.22 0.00 -0.04 0.00 0.00 63.50 63.00 2k1s n PRO 64 Cb 0.43 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.46 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 -1.12 2.07 -4.27 0.54 4.01 -1.26 -4.79 118.16 113.34 2k1s n LYS 65 Ca 0.11 -2.12 -0.27 0.00 -0.51 0.00 0.00 58.31 55.52 2k1s n LYS 65 Cb 0.31 -1.83 -0.17 0.00 -0.51 0.00 0.00 35.03 32.83 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 -3.03 1.23 -0.23 -0.18 -4.23 -1.26 -0.30 115.64 107.64 2k1s s THR 66 Ca 0.42 -0.47 -0.25 0.00 -1.18 0.00 0.00 61.69 60.20 2k1s s THR 66 Cb 0.33 -1.17 -0.00 0.00 1.34 0.00 0.00 72.50 73.00 2k1s s THR 66 CO 0.00 0.39 0.85 0.00 -0.54 0.00 0.00 174.62 175.33 2k1s s ALA 67 N 1.18 3.64 -0.59 3.99 0.00 0.16 -4.81 121.76 125.33 2k1s s ALA 67 Ca -0.04 -0.08 -0.23 0.00 0.00 0.00 0.00 51.96 51.62 2k1s s ALA 67 Cb -0.14 -3.31 0.06 0.00 0.00 0.00 0.00 23.12 19.73 2k1s s ALA 67 CO -0.03 -0.91 0.90 0.08 0.00 0.00 0.00 175.76 175.80 2k1s s VAL 68 N 2.80 4.44 -0.59 0.00 1.01 -0.13 -1.91 120.40 126.02 2k1s s VAL 68 Ca 0.36 -0.13 -0.22 0.00 0.00 0.00 0.00 61.98 61.99 2k1s s VAL 68 Cb -0.15 -4.57 0.06 0.00 0.00 0.00 0.00 36.38 31.72 2k1s s VAL 68 CO 0.08 -1.22 0.89 0.20 0.00 0.00 0.00 175.10 175.05 2k1s s ASN 69 N 3.20 6.25 -0.69 3.32 0.01 0.13 -0.01 114.94 127.15 2k1s s ASN 69 Ca 0.24 -0.75 -0.19 0.00 -0.71 0.00 0.00 52.86 51.46 2k1s s ASN 69 Cb -0.16 -2.40 0.12 0.00 0.41 0.00 0.00 41.25 39.22 2k1s s ASN 69 CO 0.14 -1.26 0.82 -0.69 -1.51 0.00 0.00 177.10 174.60 2k1s s VAL 70 N 3.75 4.82 -0.40 1.60 1.01 0.16 -0.66 120.40 130.68 2k1s s VAL 70 Ca 0.24 -1.17 -0.18 0.00 0.00 0.00 0.00 61.98 60.87 2k1s s VAL 70 Cb -0.16 -4.57 0.01 0.00 0.00 0.00 0.00 36.38 31.67 2k1s s VAL 70 CO 0.14 -1.23 0.48 -0.63 0.00 0.00 0.00 175.10 173.86 2k1s s ILE 71 N 2.60 5.04 -0.10 2.22 1.01 0.54 -0.66 121.20 131.85 2k1s s ILE 71 Ca 0.17 -0.06 -0.21 0.00 0.00 0.00 0.00 60.65 60.56 2k1s s ILE 71 Cb -0.18 -4.02 -0.04 0.00 0.01 0.00 0.00 42.46 38.23 2k1s s ILE 71 CO 0.02 -0.36 0.60 -0.83 0.00 0.00 0.00 174.94 174.37 2k1s s GLY 72 N 1.82 2.48 0.51 6.18 0.00 -0.14 -0.17 107.32 118.00 2k1s s GLY 72 Ca 0.15 -0.04 0.05 0.00 0.00 0.00 0.00 44.72 44.89 2k1s s GLY 72 CO 0.14 1.01 0.29 -0.19 0.00 0.00 0.00 173.10 174.35 2k1s s TYR 73 N 0.81 1.91 -0.12 1.90 2.02 -0.90 -2.51 117.35 120.47 2k1s s TYR 73 Ca 0.32 -0.80 -0.30 0.00 -0.37 0.00 0.00 57.07 55.92 2k1s s TYR 73 Cb -0.16 -1.88 0.12 0.00 -0.40 0.00 0.00 41.96 39.63 2k1s s TYR 73 CO 0.14 -0.20 0.94 -0.08 -1.57 0.00 0.00 175.55 174.78 2k1s s THR 74 N -2.74 0.00 0.90 -0.71 -1.32 -0.32 -4.42 115.64 107.03 2k1s s THR 74 Ca 0.31 0.00 -0.12 0.00 -1.21 0.00 0.00 61.69 60.67 2k1s s THR 74 Cb -0.00 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.12 2k1s s THR 74 CO 0.18 0.00 1.09 1.51 -2.21 0.00 0.00 174.62 175.20 2k1s s ASP 75 N -1.42 3.46 -1.10 8.08 -4.77 -1.24 -3.25 116.67 116.44 2k1s s ASP 75 Ca -0.01 1.40 -0.22 0.00 -3.30 0.00 0.00 52.55 50.42 2k1s s ASP 75 Cb -0.01 -2.08 0.02 0.00 -1.09 0.00 0.00 42.92 39.76 2k1s s ASP 75 CO 0.00 -2.63 1.69 -0.94 0.70 0.00 0.00 175.17 173.99 2k1s s SER 76 N -3.50 6.14 0.55 2.11 1.04 -1.26 -4.73 113.70 114.05 2k1s s SER 76 Ca 0.63 -1.61 0.03 0.00 0.48 0.00 0.00 55.95 55.48 2k1s s SER 76 Cb -0.18 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.41 2k1s s SER 76 CO 0.57 -1.86 0.77 -0.89 0.98 0.00 0.00 173.24 172.80 2k1s s THR 77 N 6.55 2.64 0.37 2.02 2.01 -1.26 -5.01 115.64 122.97 2k1s s THR 77 Ca 0.56 -0.72 0.16 0.00 0.31 0.00 0.00 61.69 61.99 2k1s s THR 77 Cb -0.00 -2.91 0.14 0.00 0.01 0.00 0.00 72.50 69.74 2k1s s THR 77 CO -0.00 0.00 1.89 1.23 -0.69 0.00 0.00 174.62 177.04 2k1s h GLY 78 N 0.10 0.00 -7.45 4.40 0.00 -2.06 -3.38 103.07 94.69 2k1s h GLY 78 Ca -0.41 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.23 2k1s h GLY 78 CO 0.49 0.00 0.61 -0.32 0.00 0.00 0.00 176.54 177.33 2k1s s GLY 79 N -4.27 1.95 0.23 4.60 0.00 -1.26 -4.87 107.32 103.70 2k1s s GLY 79 Ca -0.03 -2.68 -0.04 0.00 0.00 0.00 0.00 44.72 41.97 2k1s s GLY 79 CO 0.69 1.86 1.71 0.84 0.00 0.00 0.00 173.10 178.21 2k1s h HIS 80 N 8.81 0.96 -0.02 1.90 2.76 -2.00 -0.50 115.15 127.07 2k1s h HIS 80 Ca 0.05 -0.15 -0.10 0.00 -2.20 0.00 0.00 60.37 57.97 2k1s h HIS 80 Cb 1.04 -0.26 0.01 0.00 1.55 0.00 0.00 27.41 29.75 2k1s h HIS 80 CO 1.09 0.87 -0.36 0.22 -1.30 0.00 0.00 177.93 178.45 2k1s h ASP 81 N 0.82 0.35 -0.17 3.26 3.58 -1.96 -2.55 116.42 119.75 2k1s h ASP 81 Ca 0.15 -0.73 -0.07 0.00 0.42 0.00 0.00 57.03 56.80 2k1s h ASP 81 Cb 0.50 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 2k1s h ASP 81 CO 0.02 1.03 -0.10 -0.07 -2.88 0.00 0.00 179.24 177.25 2k1s h LEU 82 N -0.30 0.50 -0.77 2.28 3.38 -1.96 -2.07 115.31 116.38 2k1s h LEU 82 Ca -0.04 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.70 2k1s h LEU 82 Cb 1.07 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2k1s h LEU 82 CO 0.07 0.64 -0.23 0.78 0.09 0.00 0.00 178.44 179.80 2k1s h ASN 83 N 0.49 0.69 -0.27 -0.43 4.21 -1.11 0.26 115.58 119.42 2k1s h ASN 83 Ca 0.09 -0.24 0.03 0.00 1.21 0.00 0.00 56.30 57.39 2k1s h ASN 83 Cb 0.47 -0.19 -0.03 0.00 -1.12 0.00 0.00 38.32 37.45 2k1s h ASN 83 CO 0.03 0.91 0.08 -0.03 -1.29 0.00 0.00 177.43 177.12 2k1s h MET 84 N 0.60 0.18 -0.43 0.81 1.85 -0.99 -0.42 114.93 116.53 2k1s h MET 84 Ca 0.09 -0.01 -0.09 0.00 -0.61 0.00 0.00 59.70 59.07 2k1s h MET 84 Cb 0.71 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.68 2k1s h MET 84 CO 0.05 0.12 -0.11 0.00 -0.40 0.00 0.00 176.91 176.58 2k1s h ARG 85 N 0.19 0.77 -0.57 0.39 3.08 -0.99 -2.46 114.38 114.79 2k1s h ARG 85 Ca 0.12 -0.26 -0.02 0.00 0.07 0.00 0.00 59.98 59.90 2k1s h ARG 85 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 2k1s h ARG 85 CO -0.14 0.85 0.30 -0.07 -1.07 0.00 0.00 179.97 179.84 2k1s h LEU 86 N 0.70 0.73 -1.00 3.04 3.38 -0.12 0.28 115.31 122.32 2k1s h LEU 86 Ca 0.12 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2k1s h LEU 86 Cb 0.58 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k1s h LEU 86 CO 0.04 0.63 0.04 0.77 0.09 0.00 0.00 178.44 180.01 2k1s h SER 87 N 0.77 0.71 -0.23 -0.43 4.64 -0.85 0.10 113.55 118.27 2k1s h SER 87 Ca 0.20 -0.15 -0.14 0.00 -0.47 0.00 0.00 61.79 61.22 2k1s h SER 87 Cb 0.08 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2k1s h SER 87 CO -0.03 0.76 -0.41 1.56 -0.87 0.00 0.00 176.83 177.84 2k1s h GLN 88 N 0.72 0.68 -0.68 4.77 1.08 -1.13 -2.20 115.11 118.34 2k1s h GLN 88 Ca 0.15 -0.43 -0.03 0.00 -1.45 0.00 0.00 58.65 56.89 2k1s h GLN 88 Cb 0.38 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.83 2k1s h GLN 88 CO 0.01 1.05 0.31 0.37 -0.95 0.00 0.00 178.83 179.62 2k1s h GLN 89 N 0.39 1.00 -0.44 1.46 4.15 0.00 0.37 115.11 122.04 2k1s h GLN 89 Ca 0.01 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.25 2k1s h GLN 89 Cb 1.01 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.51 2k1s h GLN 89 CO 0.09 0.80 0.18 0.00 -1.93 0.00 0.00 178.83 177.98 2k1s h ARG 90 N 0.96 0.65 -0.49 1.69 3.08 -0.84 -1.00 114.38 118.43 2k1s h ARG 90 Ca 0.23 -0.11 -0.03 0.00 0.07 0.00 0.00 59.98 60.14 2k1s h ARG 90 Cb 0.15 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 2k1s h ARG 90 CO -0.03 0.59 0.18 0.00 -1.07 0.00 0.00 179.97 179.65 2k1s h ALA 91 N 1.03 0.64 -0.88 0.04 0.00 -0.90 -2.52 119.26 116.68 2k1s h ALA 91 Ca 0.15 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k1s h ALA 91 Cb 0.18 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 2k1s h ALA 91 CO -0.01 0.27 0.58 0.22 0.00 0.00 0.00 179.25 180.31 2k1s h ASP 92 N 0.66 1.01 -0.76 0.00 3.58 -0.11 -1.14 116.42 119.66 2k1s h ASP 92 Ca 0.16 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.58 2k1s h ASP 92 Cb 0.23 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2k1s h ASP 92 CO -0.01 0.73 0.45 0.28 -2.88 0.00 0.00 179.24 177.80 2k1s h SER 93 N 1.19 0.92 -0.02 2.28 0.02 -0.90 0.50 113.55 117.53 2k1s h SER 93 Ca 0.32 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 2k1s h SER 93 Cb -0.13 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.18 2k1s h SER 93 CO -0.07 0.72 0.01 0.58 -1.14 0.00 0.00 176.83 176.93 2k1s h VAL 94 N 1.04 1.11 -0.16 2.27 2.07 -1.02 -1.59 116.25 119.97 2k1s h VAL 94 Ca 0.27 -0.33 0.03 0.00 0.82 0.00 0.00 66.70 67.49 2k1s h VAL 94 Cb -0.02 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 2k1s h VAL 94 CO -0.05 0.09 -0.01 0.00 0.02 0.00 0.00 177.57 177.62 2k1s h ALA 95 N 0.87 0.14 -0.74 1.67 0.00 -0.80 -1.31 119.26 119.09 2k1s h ALA 95 Ca 0.01 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.07 2k1s h ALA 95 Cb 0.14 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.93 2k1s h ALA 95 CO -0.00 -0.45 0.38 1.03 0.00 0.00 0.00 179.25 180.21 2k1s h SER 96 N 0.05 0.49 0.15 0.00 0.87 0.09 0.85 113.55 116.05 2k1s h SER 96 Ca 0.08 0.06 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2k1s h SER 96 Cb 0.10 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.04 2k1s h SER 96 CO -0.14 0.27 -0.07 0.00 -0.53 0.00 0.00 176.83 176.36 2k1s h ALA 97 N 1.45 -0.21 -0.76 6.23 0.00 -0.80 -1.73 119.26 123.43 2k1s h ALA 97 Ca 0.37 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.25 2k1s h ALA 97 Cb 0.40 0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.21 2k1s h ALA 97 CO -0.28 -0.55 0.45 -0.07 0.00 0.00 0.00 179.25 178.79 2k1s h LEU 98 N -0.33 0.68 -1.82 0.00 3.38 -0.54 0.96 115.31 117.64 2k1s h LEU 98 Ca -0.02 0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.98 2k1s h LEU 98 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k1s h LEU 98 CO 0.03 0.43 0.13 0.40 0.09 0.00 0.00 178.44 179.52 2k1s h ILE 99 N 0.81 1.04 -0.26 1.22 2.04 -0.69 -1.74 117.51 119.93 2k1s h ILE 99 Ca 0.34 -0.08 -0.06 0.00 1.00 0.00 0.00 64.86 66.06 2k1s h ILE 99 Cb 0.20 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2k1s h ILE 99 CO -0.19 0.04 -0.09 0.74 0.00 0.00 0.00 178.15 178.66 2k1s h THR 100 N 0.24 1.20 -0.00 -0.27 2.02 0.13 -1.77 112.91 114.46 2k1s h THR 100 Ca 0.07 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2k1s h THR 100 Cb -0.01 1.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2k1s h THR 100 CO -0.02 0.29 -0.18 0.00 0.37 0.00 0.00 175.52 175.98 2k1s n GLN 101 N -4.25 0.31 0.00 6.66 3.00 -0.75 -4.89 117.38 117.47 2k1s n GLN 101 Ca 0.00 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 2k1s n GLN 101 Cb 0.28 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 29.02 2k1s n GLN 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2k1s n GLY 102 N 1.40 0.81 3.73 1.08 0.00 -0.67 -4.98 105.19 106.56 2k1s n GLY 102 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.57 3.54 0.26 1.61 1.01 -0.73 -4.96 120.40 119.55 2k1s s VAL 103 Ca 0.00 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 62.91 2k1s s VAL 103 Cb 0.00 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 2k1s s VAL 103 CO 0.00 0.16 1.13 -1.81 0.00 0.00 0.00 175.10 174.58 2k1s s ASP 104 N 0.46 7.20 0.52 3.32 1.01 -1.26 -3.66 116.67 124.27 2k1s s ASP 104 Ca 0.56 2.27 0.26 0.00 0.71 0.00 0.00 52.55 56.35 2k1s s ASP 104 Cb -0.33 -2.62 1.42 0.00 1.01 0.00 0.00 42.92 42.39 2k1s s ASP 104 CO 0.35 -0.22 2.07 0.00 0.21 0.00 0.00 175.17 177.59 2k1s h ALA 105 N 4.17 1.35 0.00 5.23 0.00 -1.93 -0.76 119.26 127.32 2k1s h ALA 105 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2k1s h ALA 105 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2k1s h ALA 105 CO 0.69 0.15 0.00 0.45 0.00 0.00 0.00 179.25 180.54 2k1s n SER 106 N -3.73 0.00 -0.98 0.00 2.88 -1.26 -2.13 113.62 108.40 2k1s n SER 106 Ca -0.02 0.33 0.09 0.00 -1.33 0.00 0.00 58.87 57.94 2k1s n SER 106 Cb 0.23 -0.43 0.22 0.00 -0.75 0.00 0.00 64.21 63.48 2k1s n SER 106 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2k1s n ARG 107 N -1.43 2.61 -4.95 -1.46 1.74 -0.29 -4.93 116.66 107.94 2k1s n ARG 107 Ca 0.07 -2.26 -0.32 0.00 -0.77 0.00 0.00 57.85 54.56 2k1s n ARG 107 Cb 0.23 -1.42 -0.15 0.00 -1.02 0.00 0.00 32.46 30.11 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 -1.07 2.75 -0.30 0.55 -1.09 -0.90 -0.95 121.20 120.18 2k1s s ILE 108 Ca 0.35 -0.79 0.03 0.00 -2.23 0.00 0.00 60.65 58.00 2k1s s ILE 108 Cb 0.19 -2.10 0.08 0.00 -1.58 0.00 0.00 42.46 39.04 2k1s s ILE 108 CO 0.25 0.55 -0.02 -0.60 -1.23 0.00 0.00 174.94 173.89 2k1s s ARG 109 N -0.01 1.90 -0.41 2.79 3.52 0.99 -4.94 118.95 122.79 2k1s s ARG 109 Ca -0.05 -1.60 -0.18 0.00 -0.13 0.00 0.00 55.73 53.77 2k1s s ARG 109 Cb -0.14 -3.07 0.02 0.00 -1.56 0.00 0.00 34.95 30.19 2k1s s ARG 109 CO 0.04 -0.76 0.46 0.95 -0.81 0.00 0.00 175.30 175.19 2k1s s THR 110 N 1.02 5.05 -0.22 4.11 -4.23 -1.26 0.40 115.64 120.51 2k1s s THR 110 Ca 0.01 -0.17 -0.04 0.00 -1.18 0.00 0.00 61.69 60.30 2k1s s THR 110 Cb -0.20 -4.03 -0.01 0.00 1.34 0.00 0.00 72.50 69.60 2k1s s THR 110 CO -0.06 -0.39 -0.02 -1.10 -0.54 0.00 0.00 174.62 172.51 2k1s s GLN 111 N 2.24 3.45 -0.54 3.99 -0.21 0.17 -4.97 119.66 123.79 2k1s s GLN 111 Ca 0.14 -0.59 -0.16 0.00 0.02 0.00 0.00 55.36 54.77 2k1s s GLN 111 Cb -0.16 -3.05 0.13 0.00 1.00 0.00 0.00 33.01 30.92 2k1s s GLN 111 CO 0.14 -0.15 0.51 0.20 -2.12 0.00 0.00 175.29 173.88 2k1s s GLY 112 N 1.38 2.06 -0.14 3.09 0.00 -1.26 -0.96 107.32 111.49 2k1s s GLY 112 Ca 0.05 -2.50 0.17 0.00 0.00 0.00 0.00 44.72 42.43 2k1s s GLY 112 CO -0.01 1.23 0.15 1.04 0.00 0.00 0.00 173.10 175.50 2k1s n LEU 113 N 5.34 0.00 0.00 0.66 4.77 -1.17 -4.92 117.00 121.67 2k1s n LEU 113 Ca -0.14 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.84 2k1s n LEU 113 Cb 0.40 0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 2k1s n LEU 113 CO 0.54 0.34 0.00 0.61 -1.33 0.00 0.00 177.39 177.55 2k1s n GLY 114 N 1.78 1.92 1.37 -0.72 0.00 -1.05 -2.73 105.19 105.77 2k1s n GLY 114 Ca -0.23 -0.52 -0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 13.09 1.99 0.11 1.61 -0.05 -1.20 -3.21 135.00 147.34 2k1s n PRO 115 Ca 0.00 -1.33 -0.03 0.00 -0.05 0.00 0.00 63.50 62.09 2k1s n PRO 115 Cb 0.00 -1.64 0.10 0.00 -0.05 0.00 0.00 33.50 31.91 2k1s n PRO 115 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 2k1s h ALA 116 N 2.07 0.81 -3.50 0.55 0.00 -1.83 -3.39 119.26 113.98 2k1s h ALA 116 Ca 0.17 -0.63 -0.64 0.00 0.00 0.00 0.00 54.91 53.80 2k1s h ALA 116 Cb 1.56 -0.10 -0.40 0.00 0.00 0.00 0.00 17.79 18.84 2k1s h ALA 116 CO 0.38 0.86 -0.70 1.21 0.00 0.00 0.00 179.25 181.00 2k1s s ASN 117 N -6.84 4.49 -0.71 0.00 3.84 -1.26 -5.06 114.94 109.40 2k1s s ASN 117 Ca -0.01 -2.41 -0.26 0.00 0.21 0.00 0.00 52.86 50.39 2k1s s ASN 117 Cb 0.12 -1.53 -0.03 0.00 -0.55 0.00 0.00 41.25 39.26 2k1s s ASN 117 CO 0.78 -0.33 1.90 -2.84 -2.79 0.00 0.00 177.10 173.83 2k1s s PRO 118 N 0.56 2.59 0.47 0.43 0.02 -1.26 -4.81 135.00 133.00 2k1s s PRO 118 Ca 0.13 0.31 0.25 0.00 0.02 0.00 0.00 61.00 61.71 2k1s s PRO 118 Cb -0.21 -4.62 1.12 0.00 0.02 0.00 0.00 34.50 30.80 2k1s s PRO 118 CO -0.07 -2.97 1.92 0.97 -0.33 0.00 0.00 177.00 176.52 2k1s h ILE 119 N 7.03 0.59 -3.25 2.83 2.10 -1.92 -3.45 117.51 121.44 2k1s h ILE 119 Ca -0.14 -0.91 -0.55 0.00 1.08 0.00 0.00 64.86 64.34 2k1s h ILE 119 Cb 1.11 1.60 -0.13 0.00 -1.09 0.00 0.00 36.82 38.31 2k1s h ILE 119 CO 1.21 0.19 -0.49 0.00 -1.08 0.00 0.00 178.15 177.98 2k1s s ALA 120 N -3.88 2.71 -0.64 0.18 0.00 -1.26 -5.06 121.76 113.81 2k1s s ALA 120 Ca -0.01 -1.40 -0.26 0.00 0.00 0.00 0.00 51.96 50.29 2k1s s ALA 120 Cb 0.12 0.96 -0.06 0.00 0.00 0.00 0.00 23.12 24.14 2k1s s ALA 120 CO 0.62 -0.43 2.12 -1.12 0.00 0.00 0.00 175.76 176.95 2k1s s SER 121 N -3.56 4.79 0.32 0.00 0.01 -1.26 -4.78 113.70 109.22 2k1s s SER 121 Ca 0.27 0.39 0.26 0.00 1.31 0.00 0.00 55.95 58.18 2k1s s SER 121 Cb 0.02 -2.53 1.08 0.00 0.21 0.00 0.00 66.02 64.80 2k1s s SER 121 CO 0.18 -2.80 1.77 -0.55 0.41 0.00 0.00 173.24 172.26 2k1s h ASN 122 N 15.66 0.00 0.69 2.44 -1.07 -1.91 -1.07 115.58 130.33 2k1s h ASN 122 Ca -0.17 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.20 2k1s h ASN 122 Cb 1.15 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.40 2k1s h ASN 122 CO 1.17 0.00 -0.02 -0.24 0.07 0.00 0.00 177.43 178.41 2k1s n SER 123 N -2.40 0.05 -4.49 6.14 2.88 -1.26 -4.57 113.62 109.97 2k1s n SER 123 Ca 0.02 0.03 -0.27 0.00 -1.33 0.00 0.00 58.87 57.31 2k1s n SER 123 Cb 0.23 -0.32 -0.11 0.00 -0.75 0.00 0.00 64.21 63.26 2k1s n SER 123 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 2k1s s THR 124 N -2.71 2.75 0.30 2.46 -4.23 -0.42 -5.02 115.64 108.77 2k1s s THR 124 Ca 0.23 -1.79 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2k1s s THR 124 Cb 0.20 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.95 2k1s s THR 124 CO 0.49 -0.07 1.94 0.00 -0.54 0.00 0.00 174.62 176.45 2k1s h ALA 125 N 3.21 1.39 -0.06 3.99 0.00 -1.87 0.07 119.26 125.98 2k1s h ALA 125 Ca -0.47 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.37 2k1s h ALA 125 Cb 1.20 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.68 2k1s h ALA 125 CO 0.50 0.53 -0.05 1.49 0.00 0.00 0.00 179.25 181.71 2k1s h GLU 126 N 1.01 -0.05 -0.38 0.00 4.81 -1.96 0.11 114.58 118.11 2k1s h GLU 126 Ca 0.26 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.48 2k1s h GLU 126 Cb -0.03 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.35 2k1s h GLU 126 CO -0.05 -0.04 0.18 0.78 -0.73 0.00 0.00 179.01 179.15 2k1s h GLY 127 N -0.05 0.59 0.77 1.92 0.00 -1.30 -2.57 103.07 102.42 2k1s h GLY 127 Ca 0.04 -0.30 0.05 0.00 0.00 0.00 0.00 47.33 47.12 2k1s h GLY 127 CO -0.09 0.28 0.44 0.50 0.00 0.00 0.00 176.54 177.68 2k1s h LYS 128 N 0.47 0.81 -0.73 4.80 1.57 -0.80 0.10 116.57 122.80 2k1s h LYS 128 Ca 0.13 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.94 2k1s h LYS 128 Cb 0.13 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 2k1s h LYS 128 CO -0.02 0.54 0.40 0.00 -0.57 0.00 0.00 179.45 179.80 2k1s h ALA 129 N 1.34 1.00 -0.03 3.86 0.00 -0.47 0.24 119.26 125.22 2k1s h ALA 129 Ca 0.31 0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2k1s h ALA 129 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2k1s h ALA 129 CO -0.15 0.05 0.00 0.94 0.00 0.00 0.00 179.25 180.09 2k1s n GLN 130 N -4.78 1.63 0.00 0.00 7.27 -0.88 -3.38 117.38 117.23 2k1s n GLN 130 Ca 0.11 -0.92 0.10 0.00 0.07 0.00 0.00 57.00 56.36 2k1s n GLN 130 Cb 0.22 -1.47 -0.10 0.00 2.41 0.00 0.00 30.24 31.30 2k1s n GLN 130 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 2k1s n ASN 131 N 0.11 1.16 -0.23 1.69 4.05 0.30 -4.21 115.26 118.14 2k1s n ASN 131 Ca 0.19 -1.08 0.15 0.00 0.45 0.00 0.00 54.58 54.28 2k1s n ASN 131 Cb 0.34 0.92 0.72 0.00 1.23 0.00 0.00 39.78 42.98 2k1s n ASN 131 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 177.26 174.75 2k1s n ARG 132 N -1.26 1.32 -2.39 1.20 1.74 -0.50 -1.17 116.66 115.60 2k1s n ARG 132 Ca 0.05 -0.47 -0.26 0.00 -0.77 0.00 0.00 57.85 56.40 2k1s n ARG 132 Cb 0.35 -1.47 0.14 0.00 -1.02 0.00 0.00 32.46 30.46 2k1s n ARG 132 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 2k1s s ARG 133 N -1.99 1.26 -0.04 5.56 1.70 -1.26 -4.56 118.95 119.62 2k1s s ARG 133 Ca 0.42 -0.94 0.07 0.00 -0.47 0.00 0.00 55.73 54.80 2k1s s ARG 133 Cb 0.21 -2.17 -0.01 0.00 -0.57 0.00 0.00 34.95 32.41 2k1s s ARG 133 CO 0.34 -1.82 -0.25 0.08 -1.08 0.00 0.00 175.30 172.58 2k1s s VAL 134 N -3.41 1.98 -0.41 4.99 1.01 -0.67 -2.11 120.40 121.79 2k1s s VAL 134 Ca 0.70 -1.04 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 2k1s s VAL 134 Cb -0.04 -1.67 0.04 0.00 0.00 0.00 0.00 36.38 34.71 2k1s s VAL 134 CO 0.47 0.56 0.29 -0.70 0.00 0.00 0.00 175.10 175.72 2k1s s GLU 135 N -0.29 2.90 -0.57 2.72 2.56 0.76 -2.10 118.70 124.68 2k1s s GLU 135 Ca 0.01 -1.14 -0.19 0.00 0.00 0.00 0.00 54.97 53.65 2k1s s GLU 135 Cb -0.12 -3.93 0.09 0.00 2.00 0.00 0.00 34.13 32.17 2k1s s GLU 135 CO 0.02 -0.81 0.68 0.42 -0.56 0.00 0.00 175.26 175.01 2k1s s ILE 136 N 1.62 4.83 -0.24 -3.70 1.01 -0.87 -0.34 121.20 123.52 2k1s s ILE 136 Ca 0.04 -0.84 -0.04 0.00 0.00 0.00 0.00 60.65 59.80 2k1s s ILE 136 Cb -0.20 -4.43 -0.00 0.00 0.01 0.00 0.00 42.46 37.83 2k1s s ILE 136 CO 0.08 -1.03 -0.02 -0.89 0.00 0.00 0.00 174.94 173.08 2k1s s THR 137 N 2.67 3.49 -0.24 2.92 2.01 0.16 -0.57 115.64 126.08 2k1s s THR 137 Ca 0.13 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.44 2k1s s THR 137 Cb -0.23 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.60 2k1s s THR 137 CO 0.08 0.34 0.33 -0.76 -0.69 0.00 0.00 174.62 173.92 2k1s s LEU 138 N 1.48 4.09 0.04 4.42 1.02 0.14 0.20 118.68 130.08 2k1s s LEU 138 Ca 0.05 0.32 0.05 0.00 0.02 0.00 0.00 54.13 54.56 2k1s s LEU 138 Cb -0.15 -2.37 -0.02 0.00 0.02 0.00 0.00 46.19 43.66 2k1s s LEU 138 CO -0.02 -0.09 -0.14 -0.94 0.02 0.00 0.00 176.35 175.19 2k1s s SER 139 N 1.31 1.59 0.22 2.29 1.04 -0.80 -0.59 113.70 118.77 2k1s s SER 139 Ca 0.14 -0.49 -0.31 0.00 0.48 0.00 0.00 55.95 55.78 2k1s s SER 139 Cb -0.15 -0.09 -0.14 0.00 0.10 0.00 0.00 66.02 65.74 2k1s s SER 139 CO 0.08 -0.00 1.24 -2.65 0.98 0.00 0.00 173.24 172.89 2k1s n PRO 140 N 1.78 1.56 -2.01 4.02 -0.02 -1.26 0.36 135.00 139.42 2k1s n PRO 140 Ca -0.19 0.55 -0.40 0.00 -2.02 0.00 0.00 63.50 61.45 2k1s n PRO 140 Cb 0.55 -2.10 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2k1s n PRO 140 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2k1s s LEU 141 N 0.35 3.37 0.84 2.45 0.20 0.60 -4.53 118.68 121.96 2k1s s LEU 141 Ca 0.69 0.68 -0.12 0.00 0.69 0.00 0.00 54.13 56.06 2k1s s LEU 141 Cb -0.74 -2.85 0.10 0.00 -0.43 0.00 0.00 46.19 42.26 2k1s s LEU 141 CO 0.53 -2.18 1.14 -1.48 -0.29 0.00 0.00 176.35 174.08 2k1s s LEU 142 N 8.47 2.34 -0.28 -0.68 0.05 -1.26 -4.96 118.68 122.37 2k1s s LEU 142 Ca 0.72 0.95 -0.29 0.00 0.05 0.00 0.00 54.13 55.56 2k1s s LEU 142 Cb -0.16 -3.42 0.00 0.00 -2.05 0.00 0.00 46.19 40.57 2k1s s LEU 142 CO 0.25 -2.14 1.25 -1.61 -0.55 0.00 0.00 176.35 173.56 2k1s s GLU 143 N -5.38 4.00 -0.16 1.48 0.41 -1.26 -4.88 118.70 112.92 2k1s s GLU 143 Ca 0.62 1.30 0.18 0.00 -0.41 0.00 0.00 54.97 56.66 2k1s s GLU 143 Cb -0.13 -3.83 0.45 0.00 -1.78 0.00 0.00 34.13 28.83 2k1s s GLU 143 CO 0.52 -1.00 1.18 1.58 -0.49 0.00 0.00 175.26 177.05 2k1s n HIS 144 N 7.29 0.68 -1.52 1.61 -0.00 -1.26 -5.05 115.22 116.97 2k1s n HIS 144 Ca 0.14 -1.39 -0.45 0.00 0.46 0.00 0.00 57.72 56.48 2k1s n HIS 144 Cb 0.46 -0.23 -0.05 0.00 -0.12 0.00 0.00 29.99 30.05 2k1s n HIS 144 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2k1s n HIS 145 N -0.41 1.63 -3.46 1.57 8.25 -1.26 -2.18 115.22 119.35 2k1s n HIS 145 Ca 0.17 0.11 -0.25 0.00 -0.26 0.00 0.00 57.72 57.49 2k1s n HIS 145 Cb 0.91 -2.61 0.00 0.00 1.12 0.00 0.00 29.99 29.41 2k1s n HIS 145 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2k1s n HIS 146 N 11.77 -1.87 -4.13 4.41 8.25 -1.26 -4.95 115.22 127.44 2k1s n HIS 146 Ca 0.38 0.56 -0.35 0.00 -0.26 0.00 0.00 57.72 58.05 2k1s n HIS 146 Cb 0.36 -3.26 -0.08 0.00 1.12 0.00 0.00 29.99 28.14 2k1s n HIS 146 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k1s s HIS 147 N -3.03 3.36 0.85 4.41 4.02 -0.93 -5.11 115.29 118.86 2k1s s HIS 147 Ca 0.45 0.33 -0.12 0.00 1.02 0.00 0.00 55.06 56.74 2k1s s HIS 147 Cb -0.23 -1.84 0.10 0.00 -1.02 0.00 0.00 32.58 29.59 2k1s s HIS 147 CO 0.56 0.59 1.11 -3.38 1.02 0.00 0.00 174.74 174.64 2k1s s HIS 148 N -1.01 2.68 0.00 1.40 -3.43 -1.26 -5.06 115.29 108.61 2k1s s HIS 148 Ca 0.16 1.05 0.00 0.00 -0.80 0.00 0.00 55.06 55.47 2k1s s HIS 148 Cb -0.12 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 27.81 2k1s s HIS 148 CO 0.06 -2.03 0.40 -2.39 -2.00 0.00 0.00 174.74 168.77