#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kds n ALA 3 N 0.00 0.00 -3.85 0.55 0.00 -1.26 -3.53 120.51 112.43 2kds n ALA 3 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2kds n ALA 3 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 2kds n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kds s ILE 4 N 0.00 2.62 0.16 0.00 1.01 -1.26 -4.96 121.20 118.77 2kds s ILE 4 Ca 0.00 -1.07 -0.04 0.00 0.00 0.00 0.00 60.65 59.53 2kds s ILE 4 Cb 0.00 -2.31 -0.12 0.00 0.01 0.00 0.00 42.46 40.04 2kds s ILE 4 CO 0.00 0.25 1.40 -0.33 0.00 0.00 0.00 174.94 176.26 2kds h GLU 5 N 7.97 0.51 0.00 2.79 5.08 -1.96 -3.50 114.58 125.47 2kds h GLU 5 Ca -0.34 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 57.60 2kds h GLU 5 Cb 1.11 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2kds h GLU 5 CO 0.57 1.05 0.00 0.28 -1.00 0.00 0.00 179.01 179.91 2kds n VAL 6 N -3.87 0.00 -0.53 3.13 0.31 -1.26 -5.01 118.33 111.10 2kds n VAL 6 Ca -0.05 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.28 2kds n VAL 6 Cb 0.72 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.65 2kds n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kds n GLY 7 N 0.58 0.74 4.03 2.92 0.00 -1.26 -4.72 105.19 107.47 2kds n GLY 7 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2kds n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kds s ARG 8 N -0.47 2.12 -0.10 1.61 1.70 -1.25 0.16 118.95 122.72 2kds s ARG 8 Ca 0.00 -1.60 -0.02 0.00 -0.47 0.00 0.00 55.73 53.64 2kds s ARG 8 Cb 0.00 -2.58 -0.03 0.00 -0.57 0.00 0.00 34.95 31.77 2kds s ARG 8 CO 0.00 -1.04 0.01 0.42 -1.08 0.00 0.00 175.30 173.61 2kds s ILE 9 N -2.79 4.34 0.22 4.99 1.01 -1.25 -2.11 121.20 125.62 2kds s ILE 9 Ca 0.63 -0.23 0.10 0.00 0.00 0.00 0.00 60.65 61.15 2kds s ILE 9 Cb -0.05 -2.84 -0.05 0.00 0.01 0.00 0.00 42.46 39.53 2kds s ILE 9 CO 0.41 0.59 -0.18 0.00 0.00 0.00 0.00 174.94 175.76 2kds s VAL 11 N -2.52 2.50 0.17 0.00 1.01 0.13 0.18 120.40 121.88 2kds s VAL 11 Ca 0.23 -0.91 -0.14 0.00 0.00 0.00 0.00 61.98 61.16 2kds s VAL 11 Cb -0.04 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.32 2kds s VAL 11 CO 0.10 0.57 0.58 -0.54 0.00 0.00 0.00 175.10 175.80 2kds s LYS 12 N -0.36 3.98 -0.49 2.72 -0.14 -0.84 -3.50 119.74 121.10 2kds s LYS 12 Ca 0.03 0.51 0.03 0.00 -1.36 0.00 0.00 55.97 55.18 2kds s LYS 12 Cb -0.12 -2.86 0.15 0.00 -1.68 0.00 0.00 37.83 33.31 2kds s LYS 12 CO 0.02 0.43 0.30 0.54 -0.76 0.00 0.00 175.35 175.89 2kds s VAL 13 N -1.54 1.67 0.01 3.17 0.11 -1.26 -4.05 120.40 118.51 2kds s VAL 13 Ca 0.40 -2.97 0.00 0.00 -2.93 0.00 0.00 61.98 56.48 2kds s VAL 13 Cb -0.14 -2.14 -0.01 0.00 -1.53 0.00 0.00 36.38 32.55 2kds s VAL 13 CO 0.20 -0.95 -0.02 -0.75 -3.33 0.00 0.00 175.10 170.24 2kds s LYS 14 N -0.10 0.21 0.94 1.54 2.20 -1.10 -5.02 119.74 118.42 2kds s LYS 14 Ca 0.21 -0.29 -0.13 0.00 -0.36 0.00 0.00 55.97 55.39 2kds s LYS 14 Cb -0.17 -0.05 0.21 0.00 -1.51 0.00 0.00 37.83 36.31 2kds s LYS 14 CO -0.06 0.00 1.29 0.20 -0.36 0.00 0.00 175.35 176.43 2kds s GLY 15 N -0.63 1.81 -0.19 5.54 0.00 -1.26 -4.05 107.32 108.53 2kds s GLY 15 Ca -0.06 -1.43 -0.01 0.00 0.00 0.00 0.00 44.72 43.22 2kds s GLY 15 CO -0.00 -0.64 0.03 -2.13 0.00 0.00 0.00 173.10 170.36 2kds n ARG 16 N -3.67 -2.61 -2.24 2.90 0.63 -1.26 -4.56 116.66 105.86 2kds n ARG 16 Ca 0.17 2.23 -0.00 0.00 -0.92 0.00 0.00 57.85 59.32 2kds n ARG 16 Cb 0.59 -3.86 -0.00 0.00 0.45 0.00 0.00 32.46 29.64 2kds n ARG 16 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2kds n GLU 17 N 1.09 -1.49 0.00 -0.14 2.13 -1.26 -5.01 120.64 115.97 2kds n GLU 17 Ca -0.05 1.12 0.00 0.00 0.66 0.00 0.00 57.16 58.89 2kds n GLU 17 Cb 0.22 -1.65 0.00 0.00 0.27 0.00 0.00 31.44 30.27 2kds n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kds n ALA 18 N 2.03 0.00 -2.97 4.31 0.00 -1.26 -4.92 120.51 117.70 2kds n ALA 18 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.29 2kds n ALA 18 Cb 0.03 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.46 2kds n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kds n GLY 19 N 0.00 0.65 3.23 0.00 0.00 -1.26 -2.70 105.19 105.12 2kds n GLY 19 Ca 0.00 -0.30 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 2kds n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kds s SER 20 N -0.13 0.18 0.35 1.61 1.04 -1.26 -2.34 113.70 113.15 2kds s SER 20 Ca 0.32 -1.18 -0.12 0.00 0.48 0.00 0.00 55.95 55.45 2kds s SER 20 Cb 0.08 0.37 -0.07 0.00 0.10 0.00 0.00 66.02 66.50 2kds s SER 20 CO -0.14 -0.82 0.72 -0.54 0.98 0.00 0.00 173.24 173.44 2kds s LYS 21 N -4.07 3.85 0.07 4.02 1.02 -1.26 -1.99 119.74 121.39 2kds s LYS 21 Ca 0.27 0.49 -0.03 0.00 0.02 0.00 0.00 55.97 56.73 2kds s LYS 21 Cb 0.06 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.89 2kds s LYS 21 CO 0.05 0.08 0.03 0.00 -0.92 0.00 0.00 175.35 174.59 2kds s VAL 23 N -3.92 3.49 -0.07 0.00 1.01 -0.83 0.76 120.40 120.84 2kds s VAL 23 Ca 0.08 -0.50 -0.16 0.00 0.00 0.00 0.00 61.98 61.39 2kds s VAL 23 Cb 0.07 -2.51 -0.05 0.00 0.00 0.00 0.00 36.38 33.89 2kds s VAL 23 CO -0.09 0.50 0.43 -0.63 0.00 0.00 0.00 175.10 175.31 2kds s ILE 24 N 0.43 5.13 -0.45 2.22 1.01 -0.90 -2.20 121.20 126.44 2kds s ILE 24 Ca -0.07 0.86 0.06 0.00 0.00 0.00 0.00 60.65 61.51 2kds s ILE 24 Cb -0.15 -3.75 0.19 0.00 0.01 0.00 0.00 42.46 38.76 2kds s ILE 24 CO 0.04 0.44 0.55 1.33 0.00 0.00 0.00 174.94 177.30 2kds n VAL 25 N 2.89 -0.62 0.00 2.92 0.24 -0.04 -4.20 118.33 119.52 2kds n VAL 25 Ca -0.10 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 59.72 2kds n VAL 25 Cb 0.52 -0.47 0.00 0.00 -1.47 0.00 0.00 33.84 32.42 2kds n VAL 25 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kds n ASP 26 N 2.56 0.00 -4.15 -1.34 2.03 -1.26 -3.09 116.55 111.31 2kds n ASP 26 Ca 0.23 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.26 2kds n ASP 26 Cb 0.53 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.77 2kds n ASP 26 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2kds s ILE 27 N -1.88 1.59 0.00 5.18 2.07 -1.26 -3.00 121.20 123.90 2kds s ILE 27 Ca 0.00 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.46 2kds s ILE 27 Cb 0.00 -1.38 0.00 0.00 0.13 0.00 0.00 42.46 41.21 2kds s ILE 27 CO 0.00 0.45 0.00 -0.38 -1.91 0.00 0.00 174.94 173.10 2kds n ILE 28 N 3.32 0.00 -0.28 2.00 2.08 -0.97 -4.92 119.36 120.59 2kds n ILE 28 Ca -0.19 0.00 -0.05 0.00 0.56 0.00 0.00 62.75 63.07 2kds n ILE 28 Cb 0.53 0.00 0.06 0.00 -0.75 0.00 0.00 39.64 39.48 2kds n ILE 28 CO 0.00 0.00 0.00 0.44 0.56 0.00 0.00 176.55 177.55 2kds h ASP 29 N 0.00 0.97 0.00 4.38 3.32 -2.00 -3.47 116.42 119.62 2kds h ASP 29 Ca 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.95 2kds h ASP 29 Cb 0.00 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.30 2kds h ASP 29 CO 0.00 0.79 0.00 0.47 -1.72 0.00 0.00 179.24 178.78 2kds n ASP 30 N -4.43 0.00 -0.49 6.45 8.00 -1.26 -4.97 116.55 119.84 2kds n ASP 30 Ca 0.07 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.68 2kds n ASP 30 Cb 0.10 0.00 0.41 0.00 -0.02 0.00 0.00 41.12 41.61 2kds n ASP 30 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kds n ASN 31 N 0.00 1.48 -4.59 -2.24 3.02 -1.26 -4.87 115.26 106.80 2kds n ASN 31 Ca 0.00 -1.66 -0.32 0.00 -0.03 0.00 0.00 54.58 52.57 2kds n ASN 31 Cb 0.00 -0.08 -0.10 0.00 -0.61 0.00 0.00 39.78 38.98 2kds n ASN 31 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2kds s PHE 32 N -1.83 2.88 0.17 3.10 0.08 -1.26 -1.48 117.98 119.64 2kds s PHE 32 Ca 0.33 -0.04 0.05 0.00 0.12 0.00 0.00 56.93 57.38 2kds s PHE 32 Cb 0.17 -1.61 -0.05 0.00 -0.57 0.00 0.00 43.02 40.97 2kds s PHE 32 CO 0.27 0.37 -0.09 0.14 -0.10 0.00 0.00 175.22 175.81 2kds s VAL 33 N -1.00 1.19 -0.15 -0.44 -7.23 -0.97 -2.29 120.40 109.51 2kds s VAL 33 Ca 0.17 -2.07 -0.05 0.00 -1.81 0.00 0.00 61.98 58.23 2kds s VAL 33 Cb -0.11 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.83 2kds s VAL 33 CO 0.08 -0.65 0.00 -0.22 -0.31 0.00 0.00 175.10 174.00 2kds s LEU 34 N -3.21 3.51 0.09 1.32 0.20 -1.16 -2.15 118.68 117.28 2kds s LEU 34 Ca 0.19 -0.00 0.06 0.00 0.69 0.00 0.00 54.13 55.08 2kds s LEU 34 Cb 0.03 -1.85 -0.03 0.00 -0.43 0.00 0.00 46.19 43.90 2kds s LEU 34 CO 0.03 0.21 -0.16 0.68 -0.29 0.00 0.00 176.35 176.82 2kds s VAL 35 N 0.11 1.37 0.01 1.68 -7.23 -0.55 -0.87 120.40 114.92 2kds s VAL 35 Ca 0.02 -1.48 -0.09 0.00 -1.81 0.00 0.00 61.98 58.63 2kds s VAL 35 Cb -0.13 -1.33 0.00 0.00 0.56 0.00 0.00 36.38 35.48 2kds s VAL 35 CO 0.02 -0.21 0.17 0.28 -0.31 0.00 0.00 175.10 175.05 2kds s THR 36 N -1.42 0.09 0.21 5.32 -1.32 -0.93 -2.05 115.64 115.54 2kds s THR 36 Ca 0.03 -0.72 -0.22 0.00 -1.21 0.00 0.00 61.69 59.57 2kds s THR 36 Cb -0.09 -0.56 0.05 0.00 -1.51 0.00 0.00 72.50 70.39 2kds s THR 36 CO 0.03 -0.39 0.66 -0.83 -2.21 0.00 0.00 174.62 171.88 2kds s GLY 37 N -1.53 -0.38 -0.57 6.08 0.00 -0.64 -1.97 107.32 108.32 2kds s GLY 37 Ca -0.13 0.13 -0.27 0.00 0.00 0.00 0.00 44.72 44.46 2kds s GLY 37 CO 0.01 0.05 1.88 2.56 0.00 0.00 0.00 173.10 177.59 2kds s PRO 38 N -3.81 2.70 0.31 2.90 0.04 -1.24 -3.94 135.00 131.96 2kds s PRO 38 Ca 0.06 0.77 0.03 0.00 0.04 0.00 0.00 61.00 61.89 2kds s PRO 38 Cb -0.03 -4.37 0.62 0.00 0.04 0.00 0.00 34.50 30.76 2kds s PRO 38 CO -0.04 -2.63 1.87 -0.22 0.04 0.00 0.00 177.00 176.02 2kds h LYS 39 N 14.89 0.89 -0.81 4.56 3.64 -1.65 0.92 116.57 139.01 2kds h LYS 39 Ca -0.27 -0.05 0.11 0.00 -1.27 0.00 0.00 60.65 59.17 2kds h LYS 39 Cb 1.17 -0.20 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 2kds h LYS 39 CO 1.19 0.59 0.53 -0.44 -2.27 0.00 0.00 179.45 179.05 2kds h ASP 40 N 0.92 0.64 0.00 4.20 3.32 -1.87 0.29 116.42 123.92 2kds h ASP 40 Ca 0.45 0.02 -0.20 0.00 0.02 0.00 0.00 57.03 57.33 2kds h ASP 40 Cb 0.46 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 2kds h ASP 40 CO -0.21 0.37 -1.73 -0.38 -1.72 0.00 0.00 179.24 175.56 2kds n ILE 41 N -4.51 0.74 0.03 0.35 2.08 -0.56 -4.69 119.36 112.79 2kds n ILE 41 Ca 0.14 -0.27 -0.10 0.00 0.56 0.00 0.00 62.75 63.08 2kds n ILE 41 Cb 0.37 -1.02 -0.13 0.00 -0.75 0.00 0.00 39.64 38.11 2kds n ILE 41 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 2kds h THR 42 N -0.04 1.26 0.00 1.39 1.35 0.77 -3.47 112.91 114.16 2kds h THR 42 Ca -0.29 -3.01 0.00 0.00 -0.55 0.00 0.00 66.41 62.56 2kds h THR 42 Cb 1.43 2.66 0.00 0.00 -1.73 0.00 0.00 68.15 70.51 2kds h THR 42 CO -0.06 0.76 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 2kds n GLY 43 N 1.50 0.78 3.63 5.82 0.00 0.10 -4.56 105.19 112.47 2kds n GLY 43 Ca -0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 2kds n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kds s VAL 44 N -2.23 4.89 0.00 1.61 -7.23 -1.26 -4.74 120.40 111.44 2kds s VAL 44 Ca 0.00 0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.18 2kds s VAL 44 Cb 0.00 -3.23 0.00 0.00 0.56 0.00 0.00 36.38 33.71 2kds s VAL 44 CO 0.00 0.43 0.00 1.17 -0.31 0.00 0.00 175.10 176.39 2kds n LYS 45 N 3.75 0.00 -3.66 4.82 4.81 -1.25 -1.83 118.16 124.80 2kds n LYS 45 Ca -0.16 0.00 -0.07 0.00 -0.87 0.00 0.00 58.31 57.20 2kds n LYS 45 Cb 0.52 -0.09 -0.09 0.00 0.02 0.00 0.00 35.03 35.39 2kds n LYS 45 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kds s ARG 46 N 0.00 0.37 0.25 1.64 3.52 -1.26 -1.62 118.95 121.85 2kds s ARG 46 Ca 0.00 1.10 -0.18 0.00 -0.13 0.00 0.00 55.73 56.52 2kds s ARG 46 Cb 0.00 0.40 0.02 0.00 -1.56 0.00 0.00 34.95 33.81 2kds s ARG 46 CO 0.00 -0.24 0.61 -0.98 -0.81 0.00 0.00 175.30 173.88 2kds s ARG 47 N 2.58 1.62 -0.06 5.12 1.70 -0.87 -5.00 118.95 124.03 2kds s ARG 47 Ca -0.03 -1.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.23 2kds s ARG 47 Cb -0.12 0.55 -0.03 0.00 -0.57 0.00 0.00 34.95 34.79 2kds s ARG 47 CO -0.14 -0.71 -0.07 1.03 -1.08 0.00 0.00 175.30 174.33 2kds s ARG 48 N -3.93 2.71 -0.03 3.89 0.52 -1.26 -1.48 118.95 119.36 2kds s ARG 48 Ca 0.13 -0.58 0.06 0.00 -0.52 0.00 0.00 55.73 54.82 2kds s ARG 48 Cb -0.03 -2.57 -0.01 0.00 0.52 0.00 0.00 34.95 32.86 2kds s ARG 48 CO 0.05 0.66 -0.21 0.08 0.02 0.00 0.00 175.30 175.90 2kds s VAL 49 N -0.82 1.67 0.56 3.52 1.01 -0.91 -4.91 120.40 120.52 2kds s VAL 49 Ca 0.13 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2kds s VAL 49 Cb -0.11 -1.40 -0.06 0.00 0.00 0.00 0.00 36.38 34.81 2kds s VAL 49 CO 0.02 0.47 1.01 0.20 0.00 0.00 0.00 175.10 176.80 2kds s ASN 50 N -0.27 6.31 0.57 3.32 0.01 -1.26 -2.29 114.94 121.33 2kds s ASN 50 Ca 0.02 1.58 0.27 0.00 -0.71 0.00 0.00 52.86 54.02 2kds s ASN 50 Cb -0.10 -2.50 1.55 0.00 0.41 0.00 0.00 41.25 40.61 2kds s ASN 50 CO 0.01 -0.81 2.08 0.40 -1.51 0.00 0.00 177.10 177.27 2kds h ILE 51 N 0.44 0.58 -0.76 0.60 1.08 -1.65 -0.98 117.51 116.82 2kds h ILE 51 Ca -0.46 0.00 0.15 0.00 -0.39 0.00 0.00 64.86 64.16 2kds h ILE 51 Cb 1.19 0.83 -0.05 0.00 -3.07 0.00 0.00 36.82 35.72 2kds h ILE 51 CO 0.61 0.00 0.51 -0.07 -0.69 0.00 0.00 178.15 178.50 2kds h LEU 52 N 0.00 0.38 -7.57 1.44 -0.00 -1.91 -3.22 115.31 104.43 2kds h LEU 52 Ca 0.12 0.02 -0.68 0.00 -0.00 0.00 0.00 57.88 57.34 2kds h LEU 52 Cb 0.57 -0.05 -0.37 0.00 -0.00 0.00 0.00 40.66 40.81 2kds h LEU 52 CO -0.00 0.20 -0.52 -1.00 -0.00 0.00 0.00 178.44 177.12 2kds s HIS 53 N -5.40 3.42 -0.04 1.13 3.76 -0.37 -5.07 115.29 112.73 2kds s HIS 53 Ca -0.08 -2.83 0.01 0.00 -0.15 0.00 0.00 55.06 52.01 2kds s HIS 53 Cb 0.21 -3.06 0.02 0.00 1.11 0.00 0.00 32.58 30.86 2kds s HIS 53 CO 0.77 -0.85 -0.03 -0.48 -0.85 0.00 0.00 174.74 173.30 2kds s LEU 54 N 0.21 1.28 -0.47 0.89 0.05 -1.22 -4.62 118.68 114.80 2kds s LEU 54 Ca 0.15 -0.09 0.03 0.00 0.05 0.00 0.00 54.13 54.27 2kds s LEU 54 Cb -0.22 -0.35 0.15 0.00 -2.05 0.00 0.00 46.19 43.71 2kds s LEU 54 CO -0.03 -0.07 0.29 -0.70 -0.55 0.00 0.00 176.35 175.29 2kds s GLU 55 N 0.93 1.38 0.35 1.48 2.56 -1.23 -5.00 118.70 119.18 2kds s GLU 55 Ca -0.11 -2.21 -0.04 0.00 0.00 0.00 0.00 54.97 52.62 2kds s GLU 55 Cb -0.14 -2.32 -0.04 0.00 2.00 0.00 0.00 34.13 33.62 2kds s GLU 55 CO -0.00 -1.22 0.61 -1.25 -0.56 0.00 0.00 175.26 172.84 2kds s PRO 56 N 0.05 3.58 0.34 4.30 0.04 -1.26 0.22 135.00 142.27 2kds s PRO 56 Ca 0.21 -0.03 0.08 0.00 0.04 0.00 0.00 61.00 61.30 2kds s PRO 56 Cb -0.17 -2.58 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 2kds s PRO 56 CO -0.06 0.09 0.28 0.95 0.04 0.00 0.00 177.00 178.31 2kds s THR 57 N -2.31 3.45 -1.36 1.26 -4.23 -0.72 -4.88 115.64 106.86 2kds s THR 57 Ca 0.44 -1.39 0.04 0.00 -1.18 0.00 0.00 61.69 59.60 2kds s THR 57 Cb -0.10 -3.16 0.18 0.00 1.34 0.00 0.00 72.50 70.75 2kds s THR 57 CO 0.35 -0.17 0.95 -0.90 -0.54 0.00 0.00 174.62 174.31 2kds n ASP 58 N -1.36 1.58 -4.82 3.99 5.68 -1.26 -4.68 116.55 115.68 2kds n ASP 58 Ca -0.02 -2.12 -0.37 0.00 -0.50 0.00 0.00 54.79 51.78 2kds n ASP 58 Cb 0.60 -0.35 -0.06 0.00 -1.14 0.00 0.00 41.12 40.17 2kds n ASP 58 CO 0.00 0.00 0.00 -0.54 -1.33 0.00 0.00 177.20 175.33 2kds s LYS 59 N -1.57 4.19 -0.04 0.11 1.02 -1.26 -5.06 119.74 117.12 2kds s LYS 59 Ca 0.12 0.73 0.01 0.00 0.02 0.00 0.00 55.97 56.85 2kds s LYS 59 Cb 0.08 -3.11 0.02 0.00 -0.52 0.00 0.00 37.83 34.31 2kds s LYS 59 CO 0.06 0.56 -0.03 0.21 -0.92 0.00 0.00 175.35 175.23 2kds s LYS 60 N -1.46 0.62 0.08 1.68 2.20 -1.26 -3.81 119.74 117.79 2kds s LYS 60 Ca 0.34 -0.03 0.08 0.00 -0.36 0.00 0.00 55.97 56.00 2kds s LYS 60 Cb -0.18 -0.71 -0.03 0.00 -1.51 0.00 0.00 37.83 35.39 2kds s LYS 60 CO 0.20 -0.11 -0.20 -1.50 -0.36 0.00 0.00 175.35 173.37 2kds s ILE 61 N 1.00 1.67 -0.24 5.43 2.07 0.41 -4.94 121.20 126.60 2kds s ILE 61 Ca -0.10 -1.40 -0.25 0.00 -1.41 0.00 0.00 60.65 57.50 2kds s ILE 61 Cb -0.14 -1.49 -0.00 0.00 0.13 0.00 0.00 42.46 40.95 2kds s ILE 61 CO -0.01 0.03 0.83 -0.62 -1.91 0.00 0.00 174.94 173.27 2kds s ASP 62 N -1.62 6.84 0.24 4.50 2.15 -1.26 -4.49 116.67 123.03 2kds s ASP 62 Ca 0.06 1.04 0.11 0.00 0.43 0.00 0.00 52.55 54.19 2kds s ASP 62 Cb -0.09 -2.44 -0.05 0.00 -0.30 0.00 0.00 42.92 40.04 2kds s ASP 62 CO 0.03 -0.52 -0.20 0.27 -0.17 0.00 0.00 175.17 174.58 2kds s ILE 63 N 2.85 2.32 -2.33 4.11 -4.36 -1.26 -5.03 121.20 117.51 2kds s ILE 63 Ca 0.35 -2.26 0.29 0.00 -0.26 0.00 0.00 60.65 58.76 2kds s ILE 63 Cb -0.15 -2.20 0.65 0.00 1.25 0.00 0.00 42.46 42.01 2kds s ILE 63 CO 0.07 -0.35 1.88 0.00 0.24 0.00 0.00 174.94 176.78 2kds n GLN 64 N -0.32 1.45 -2.63 0.37 6.02 -1.26 -5.01 117.38 116.00 2kds n GLN 64 Ca -0.08 -0.66 -0.04 0.00 -0.01 0.00 0.00 57.00 56.22 2kds n GLN 64 Cb 0.59 -1.48 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 2kds n GLN 64 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kds n LYS 65 N -0.19 -3.85 -0.40 -1.09 5.02 -1.26 -4.44 118.16 111.95 2kds n LYS 65 Ca 0.20 2.92 0.00 0.00 -2.02 0.00 0.00 58.31 59.41 2kds n LYS 65 Cb 0.27 -3.96 0.00 0.00 -0.02 0.00 0.00 35.03 31.32 2kds n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kds n GLY 66 N 1.93 0.76 3.54 0.72 0.00 -1.18 -4.89 105.19 106.07 2kds n GLY 66 Ca -0.26 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 2kds n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kds n ALA 67 N -0.81 -0.48 -1.07 4.61 0.00 -1.26 -4.91 120.51 116.59 2kds n ALA 67 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2kds n ALA 67 Cb 0.00 -1.97 0.12 0.00 0.00 0.00 0.00 19.45 17.60 2kds n ALA 67 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kds s SER 68 N -1.20 3.91 0.26 0.00 1.04 -1.26 -4.69 113.70 111.76 2kds s SER 68 Ca 0.72 2.02 -0.03 0.00 0.48 0.00 0.00 55.95 59.14 2kds s SER 68 Cb -0.44 -2.55 0.39 0.00 0.10 0.00 0.00 66.02 63.53 2kds s SER 68 CO 0.51 -2.44 1.87 0.44 0.98 0.00 0.00 173.24 174.60 2kds h ASP 69 N -1.26 0.98 -0.76 7.02 3.32 -1.99 -0.75 116.42 122.99 2kds h ASP 69 Ca -0.44 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.58 2kds h ASP 69 Cb 1.25 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.57 2kds h ASP 69 CO 0.48 0.62 0.31 -0.33 -1.72 0.00 0.00 179.24 178.60 2kds h GLU 70 N 1.12 1.13 -0.40 3.56 3.07 -2.00 0.17 114.58 121.22 2kds h GLU 70 Ca 0.42 -0.20 -0.12 0.00 -0.50 0.00 0.00 59.36 58.96 2kds h GLU 70 Cb 0.18 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 27.89 2kds h GLU 70 CO -0.18 0.91 -0.24 0.93 -1.40 0.00 0.00 179.01 179.03 2kds h GLU 71 N 1.11 0.83 -0.55 2.33 5.08 -1.75 -3.03 114.58 118.59 2kds h GLU 71 Ca 0.26 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.22 2kds h GLU 71 Cb 0.20 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2kds h GLU 71 CO -0.02 0.98 0.16 0.28 -1.00 0.00 0.00 179.01 179.41 2kds h VAL 72 N 0.71 1.24 -0.75 3.13 2.07 -0.42 -2.41 116.25 119.83 2kds h VAL 72 Ca 0.09 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.78 2kds h VAL 72 Cb 0.77 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2kds h VAL 72 CO 0.06 0.31 0.46 0.11 0.02 0.00 0.00 177.57 178.53 2kds h LYS 73 N 0.77 1.01 -0.49 1.57 1.57 -0.91 0.01 116.57 120.10 2kds h LYS 73 Ca 0.18 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2kds h LYS 73 Cb 0.30 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2kds h LYS 73 CO -0.00 0.70 0.29 0.87 -0.57 0.00 0.00 179.45 180.74 2kds h LYS 74 N 1.02 0.67 -0.62 3.15 1.57 -1.40 -2.34 116.57 118.63 2kds h LYS 74 Ca 0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2kds h LYS 74 Cb -0.06 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.08 2kds h LYS 74 CO -0.05 0.49 0.39 -0.22 -0.57 0.00 0.00 179.45 179.50 2kds h LYS 75 N 0.66 0.83 -1.00 3.15 3.64 -0.88 -2.47 116.57 120.48 2kds h LYS 75 Ca 0.18 -0.06 0.14 0.00 -1.27 0.00 0.00 60.65 59.63 2kds h LYS 75 Cb -0.00 -0.18 -0.09 0.00 -0.41 0.00 0.00 32.23 31.55 2kds h LYS 75 CO -0.03 0.56 0.63 1.25 -2.27 0.00 0.00 179.45 179.59 2kds h LEU 76 N 0.85 0.89 -1.64 5.20 6.46 -0.44 0.46 115.31 127.09 2kds h LEU 76 Ca 0.23 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 58.12 2kds h LEU 76 Cb -0.07 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.71 2kds h LEU 76 CO -0.05 0.44 0.37 -0.33 -0.62 0.00 0.00 178.44 178.26 2kds h GLU 77 N 0.94 0.42 -0.51 1.25 5.08 -1.45 0.97 114.58 121.28 2kds h GLU 77 Ca 0.52 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.90 2kds h GLU 77 Cb 0.58 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2kds h GLU 77 CO -0.29 0.28 0.34 1.49 -1.00 0.00 0.00 179.01 179.82 2kds h GLU 78 N 0.43 0.50 0.00 2.33 4.81 -0.20 1.14 114.58 123.60 2kds h GLU 78 Ca 0.25 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.44 2kds h GLU 78 Cb 0.42 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2kds h GLU 78 CO -0.07 0.33 -0.05 0.77 -0.73 0.00 0.00 179.01 179.27 2kds h SER 79 N 0.52 0.00 -3.22 1.04 0.02 0.11 -3.46 113.55 108.56 2kds h SER 79 Ca 0.21 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.00 2kds h SER 79 Cb 0.19 0.00 0.06 0.00 0.14 0.00 0.00 62.40 62.79 2kds h SER 79 CO -0.06 0.05 -0.30 0.59 -1.14 0.00 0.00 176.83 175.97 2kds n ASN 80 N -3.93 -3.14 0.24 3.07 5.03 0.39 -4.94 115.26 111.99 2kds n ASN 80 Ca -0.03 -0.24 0.13 0.00 0.87 0.00 0.00 54.58 55.31 2kds n ASN 80 Cb 0.14 -2.42 0.54 0.00 -1.02 0.00 0.00 39.78 37.02 2kds n ASN 80 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2kds h LEU 81 N -1.01 0.00 -1.22 3.41 -0.00 -1.75 -2.62 115.31 112.12 2kds h LEU 81 Ca -0.24 0.00 0.42 0.00 -0.00 0.00 0.00 57.88 58.05 2kds h LEU 81 Cb 1.15 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 41.66 2kds h LEU 81 CO 0.22 0.13 0.72 0.74 -0.00 0.00 0.00 178.44 180.26 2kds h THR 82 N 0.00 0.11 0.00 0.22 2.02 -1.90 -3.37 112.91 109.98 2kds h THR 82 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2kds h THR 82 Cb 0.66 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.07 2kds h THR 82 CO 0.02 0.02 0.00 1.21 0.37 0.00 0.00 175.52 177.13 2kds n GLU 83 N -4.92 0.00 -0.20 6.66 2.13 -1.24 -4.93 120.64 118.14 2kds n GLU 83 Ca 0.37 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.12 2kds n GLU 83 Cb 1.33 0.00 0.03 0.00 0.27 0.00 0.00 31.44 33.07 2kds n GLU 83 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2kds h TYR 84 N 0.00 0.75 0.00 4.31 3.20 -1.63 -3.43 116.97 120.17 2kds h TYR 84 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kds h TYR 84 Cb 0.00 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.02 2kds h TYR 84 CO 0.00 0.50 0.00 -1.33 -1.64 0.00 0.00 178.16 175.69 2kds n MET 85 N -4.65 0.00 -1.57 1.82 2.81 -1.24 -4.81 117.12 109.48 2kds n MET 85 Ca 0.04 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.79 2kds n MET 85 Cb 0.04 0.00 -0.05 0.00 -0.71 0.00 0.00 33.22 32.51 2kds n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kds n LYS 86 N 0.00 -1.45 -0.12 0.03 5.02 -1.26 -4.80 118.16 115.58 2kds n LYS 86 Ca 0.00 0.76 -0.10 0.00 -2.02 0.00 0.00 58.31 56.96 2kds n LYS 86 Cb 0.00 -5.08 0.04 0.00 -0.02 0.00 0.00 35.03 29.97 2kds n LYS 86 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kds h GLU 87 N 0.00 0.89 -0.39 1.97 5.08 -1.91 -3.49 114.58 116.72 2kds h GLU 87 Ca -0.28 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.70 2kds h GLU 87 Cb 0.94 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.16 2kds h GLU 87 CO 0.40 1.03 0.00 1.63 -1.00 0.00 0.00 179.01 181.07 2kds n LYS 88 N -4.10 0.00 -0.29 2.33 5.02 -1.26 -4.89 118.16 114.96 2kds n LYS 88 Ca -0.00 0.20 -0.03 0.00 -2.02 0.00 0.00 58.31 56.46 2kds n LYS 88 Cb 0.46 0.00 0.09 0.00 -0.02 0.00 0.00 35.03 35.56 2kds n LYS 88 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2kds h ILE 89 N 0.00 1.15 -4.04 -0.18 1.08 -1.85 -3.42 117.51 110.25 2kds h ILE 89 Ca 0.00 -0.35 -0.62 0.00 -0.39 0.00 0.00 64.86 63.50 2kds h ILE 89 Cb 0.00 0.03 -0.31 0.00 -3.07 0.00 0.00 36.82 33.47 2kds h ILE 89 CO 0.00 0.19 -0.86 -0.54 -0.69 0.00 0.00 178.15 176.25 2kds s LYS 90 N -6.11 2.07 -0.45 2.37 1.02 -1.26 -5.07 119.74 112.31 2kds s LYS 90 Ca -0.13 -0.75 0.06 0.00 0.02 0.00 0.00 55.97 55.17 2kds s LYS 90 Cb 0.16 -1.81 0.20 0.00 -0.52 0.00 0.00 37.83 35.87 2kds s LYS 90 CO 0.79 0.33 0.57 0.44 -0.92 0.00 0.00 175.35 176.55 2kds n ILE 91 N 2.97 -0.60 -0.25 2.17 -5.35 -1.26 -4.98 119.36 112.06 2kds n ILE 91 Ca -0.17 -2.60 -0.06 0.00 -0.27 0.00 0.00 62.75 59.65 2kds n ILE 91 Cb 0.52 -0.52 0.07 0.00 -1.74 0.00 0.00 39.64 37.98 2kds n ILE 91 CO 0.00 0.00 0.00 0.08 -1.76 0.00 0.00 176.55 174.87 2kds h ARG 92 N 4.87 1.12 -2.02 6.28 0.11 -2.00 -3.39 114.38 119.36 2kds h ARG 92 Ca 0.11 -0.25 -0.41 0.00 0.10 0.00 0.00 59.98 59.53 2kds h ARG 92 Cb 0.98 -0.16 -0.32 0.00 1.11 0.00 0.00 29.97 31.58 2kds h ARG 92 CO 0.29 0.96 -0.73 -1.64 0.10 0.00 0.00 179.97 178.95 2kds s MET 93 N -5.36 0.69 0.58 0.08 -1.94 -1.26 -4.98 119.30 107.10 2kds s MET 93 Ca -0.12 -1.08 0.28 0.00 -1.71 0.00 0.00 55.69 53.06 2kds s MET 93 Cb 0.15 -0.83 1.52 0.00 2.01 0.00 0.00 34.83 37.68 2kds s MET 93 CO 0.84 -1.23 1.98 -1.35 -0.01 0.00 0.00 175.02 175.26 2kds h PRO 94 N 6.77 0.00 -0.65 2.03 0.11 -1.98 0.25 132.00 138.54 2kds h PRO 94 Ca 0.08 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.16 2kds h PRO 94 Cb 1.03 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 2kds h PRO 94 CO 0.21 0.00 0.28 1.15 -0.21 0.00 0.00 178.00 179.43 2kds h THR 95 N 0.00 1.22 -0.03 -1.15 2.02 -1.97 -3.54 112.91 109.46 2kds h THR 95 Ca 0.18 -0.65 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2kds h THR 95 Cb 0.93 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 67.76 2kds h THR 95 CO -0.00 0.27 0.00 0.18 0.37 0.00 0.00 175.52 176.33