#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 1.12 -0.21 0.55 0.00 -1.26 -1.23 120.51 119.48 2kds n ALA 3 Ca 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 53.44 53.41 2kds n ALA 3 Cb 0.00 -1.13 0.05 0.00 0.00 0.00 0.00 19.45 18.37 2kds n ALA 3 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2kds h ILE 4 N 0.00 1.26 -3.81 0.00 2.04 -2.06 -3.43 117.51 111.52 2kds h ILE 4 Ca 0.00 -1.11 -0.49 0.00 1.00 0.00 0.00 64.86 64.26 2kds h ILE 4 Cb 0.05 0.75 -0.21 0.00 -0.74 0.00 0.00 36.82 36.67 2kds h ILE 4 CO 0.00 0.41 -0.80 -1.61 0.00 0.00 0.00 178.15 176.15 2kds s GLU 5 N -5.08 1.05 0.00 2.37 2.02 -0.37 -5.15 118.70 113.54 2kds s GLU 5 Ca -0.11 -1.15 0.00 0.00 0.02 0.00 0.00 54.97 53.73 2kds s GLU 5 Cb 0.14 -1.16 0.00 0.00 0.10 0.00 0.00 34.13 33.21 2kds s GLU 5 CO 0.85 0.26 0.00 1.33 0.02 0.00 0.00 175.26 177.72 2kds n VAL 6 N 0.96 0.00 -2.39 2.63 0.24 -1.26 -4.76 118.33 113.74 2kds n VAL 6 Ca -0.19 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.11 2kds n VAL 6 Cb 0.55 -0.46 0.00 0.00 -1.47 0.00 0.00 33.84 32.46 2kds n VAL 6 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kds n GLY 7 N 3.11 0.82 2.74 7.63 0.00 -1.26 -4.83 105.19 113.40 2kds n GLY 7 Ca 0.00 -0.72 -0.13 0.00 0.00 0.00 0.00 46.02 45.17 2kds n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kds n ARG 8 N -0.63 0.53 -4.33 1.61 1.85 -1.26 -3.51 116.66 110.92 2kds n ARG 8 Ca -0.00 -2.40 -0.34 0.00 -1.00 0.00 0.00 57.85 54.12 2kds n ARG 8 Cb 0.50 2.23 -0.09 0.00 -1.05 0.00 0.00 32.46 34.05 2kds n ARG 8 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2kds s ILE 9 N -2.82 4.24 0.19 8.89 1.01 -1.26 -1.42 121.20 130.03 2kds s ILE 9 Ca 0.26 -0.42 0.09 0.00 0.00 0.00 0.00 60.65 60.57 2kds s ILE 9 Cb -0.00 -2.84 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 2kds s ILE 9 CO 0.18 0.49 -0.06 0.00 0.00 0.00 0.00 174.94 175.55 2kds s VAL 11 N -1.83 1.46 -0.12 0.00 1.01 -0.94 0.67 120.40 120.66 2kds s VAL 11 Ca 0.27 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.23 2kds s VAL 11 Cb -0.08 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.04 2kds s VAL 11 CO 0.17 0.42 0.74 -0.75 0.00 0.00 0.00 175.10 175.67 2kds s LYS 12 N -0.32 4.36 -0.13 2.72 2.20 -0.43 -4.29 119.74 123.85 2kds s LYS 12 Ca 0.04 0.89 0.02 0.00 -0.36 0.00 0.00 55.97 56.57 2kds s LYS 12 Cb -0.08 -3.51 0.00 0.00 -1.51 0.00 0.00 37.83 32.73 2kds s LYS 12 CO 0.00 -0.11 -0.20 0.08 -0.36 0.00 0.00 175.35 174.76 2kds s VAL 13 N 1.41 2.27 0.09 4.02 1.01 -1.24 -3.40 120.40 124.56 2kds s VAL 13 Ca 0.37 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 61.16 2kds s VAL 13 Cb -0.17 -1.92 0.09 0.00 0.00 0.00 0.00 36.38 34.38 2kds s VAL 13 CO 0.15 0.54 1.12 -0.75 0.00 0.00 0.00 175.10 176.16 2kds s LYS 14 N 0.67 0.87 0.84 2.72 2.20 -1.26 -5.05 119.74 120.74 2kds s LYS 14 Ca -0.10 -0.50 -0.08 0.00 -0.36 0.00 0.00 55.97 54.93 2kds s LYS 14 Cb -0.16 0.28 0.17 0.00 -1.51 0.00 0.00 37.83 36.61 2kds s LYS 14 CO 0.02 -0.40 1.16 0.20 -0.36 0.00 0.00 175.35 175.97 2kds s GLY 15 N -3.11 1.77 -0.00 5.54 0.00 -1.26 -4.54 107.32 105.72 2kds s GLY 15 Ca 0.16 -1.50 -0.00 0.00 0.00 0.00 0.00 44.72 43.38 2kds s GLY 15 CO 0.00 -0.82 0.00 -2.13 0.00 0.00 0.00 173.10 170.16 2kds n ARG 16 N -3.31 -1.31 -1.38 2.90 0.63 -1.26 -4.45 116.66 108.48 2kds n ARG 16 Ca 0.15 1.25 0.00 0.00 -0.92 0.00 0.00 57.85 58.33 2kds n ARG 16 Cb 0.60 -0.84 0.00 0.00 0.45 0.00 0.00 32.46 32.67 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 2.54 -0.06 -0.13 -0.14 2.13 -1.26 -4.96 120.64 118.76 2kds n GLU 17 Ca -0.00 0.05 0.00 0.00 0.66 0.00 0.00 57.16 57.87 2kds n GLU 17 Cb 0.00 -0.35 0.00 0.00 0.27 0.00 0.00 31.44 31.37 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 1.85 0.68 -2.50 4.31 0.00 -1.26 -4.97 120.51 118.61 2kds n ALA 18 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2kds n ALA 18 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2kds n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kds s GLY 19 N 0.00 1.83 -0.04 0.00 0.00 -1.22 -3.67 107.32 104.23 2kds s GLY 19 Ca 0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 44.72 43.31 2kds s GLY 19 CO 0.00 1.28 0.09 -0.56 0.00 0.00 0.00 173.10 173.91 2kds s SER 20 N 1.86 -0.09 -0.03 1.64 0.01 -1.26 -4.51 113.70 111.32 2kds s SER 20 Ca 0.16 0.19 -0.14 0.00 1.31 0.00 0.00 55.95 57.47 2kds s SER 20 Cb -0.16 0.18 -0.05 0.00 0.21 0.00 0.00 66.02 66.20 2kds s SER 20 CO 0.15 -0.04 0.37 -1.59 0.41 0.00 0.00 173.24 172.54 2kds s LYS 21 N 0.11 3.91 0.05 12.44 -2.85 -1.26 -1.31 119.74 130.82 2kds s LYS 21 Ca -0.00 0.32 -0.03 0.00 -1.00 0.00 0.00 55.97 55.25 2kds s LYS 21 Cb -0.01 -3.25 -0.02 0.00 -2.06 0.00 0.00 37.83 32.49 2kds s LYS 21 CO -0.00 0.64 0.04 0.00 0.10 0.00 0.00 175.35 176.12 2kds s VAL 23 N -3.40 4.77 -0.13 0.00 1.01 0.15 1.00 120.40 123.79 2kds s VAL 23 Ca 0.02 -0.06 -0.12 0.00 0.00 0.00 0.00 61.98 61.82 2kds s VAL 23 Cb 0.04 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.28 2kds s VAL 23 CO -0.08 0.53 0.26 -0.63 0.00 0.00 0.00 175.10 175.18 2kds s ILE 24 N -0.23 5.31 -0.45 2.22 1.01 -0.51 -0.89 121.20 127.66 2kds s ILE 24 Ca 0.08 0.49 0.07 0.00 0.00 0.00 0.00 60.65 61.28 2kds s ILE 24 Cb -0.12 -3.58 0.25 0.00 0.01 0.00 0.00 42.46 39.02 2kds s ILE 24 CO 0.01 0.47 0.75 1.33 0.00 0.00 0.00 174.94 177.51 2kds n VAL 25 N 2.96 -0.27 0.00 2.92 0.24 0.11 -4.17 118.33 120.11 2kds n VAL 25 Ca -0.14 -2.52 0.00 0.00 -2.04 0.00 0.00 64.34 59.64 2kds n VAL 25 Cb 0.53 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 1.50 0.00 -4.25 -1.34 2.03 -1.26 -3.91 116.55 109.32 2kds n ASP 26 Ca 0.14 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.12 2kds n ASP 26 Cb 0.59 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.84 2kds n ASP 26 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kds s ILE 27 N -2.00 2.45 0.00 5.18 1.01 -1.26 -2.76 121.20 123.81 2kds s ILE 27 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 60.65 59.79 2kds s ILE 27 Cb 0.00 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2kds s ILE 27 CO 0.00 0.54 0.00 -0.38 0.00 0.00 0.00 174.94 175.10 2kds n ILE 28 N 3.80 0.00 -0.26 2.92 2.08 -0.17 -4.88 119.36 122.86 2kds n ILE 28 Ca -0.19 0.00 -0.06 0.00 0.56 0.00 0.00 62.75 63.06 2kds n ILE 28 Cb 0.52 0.00 0.05 0.00 -0.75 0.00 0.00 39.64 39.47 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 -1.99 -3.47 116.42 119.62 2kds h ASP 29 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 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 0.85 0.00 0.47 -1.72 0.00 0.00 179.24 178.84 2kds n ASP 30 N -4.39 0.00 -0.88 6.45 8.00 -1.26 -4.95 116.55 119.52 2kds n ASP 30 Ca 0.06 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.67 2kds n ASP 30 Cb 0.15 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.53 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 2.63 -4.45 -2.24 5.03 -1.26 -4.92 115.26 110.05 2kds n ASN 31 Ca 0.00 -1.87 -0.30 0.00 0.87 0.00 0.00 54.58 53.28 2kds n ASN 31 Cb 0.00 -0.18 -0.12 0.00 -1.02 0.00 0.00 39.78 38.45 2kds n ASN 31 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2kds s PHE 32 N -1.63 2.51 0.20 3.10 0.08 -1.26 -1.44 117.98 119.52 2kds s PHE 32 Ca 0.35 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 57.17 2kds s PHE 32 Cb 0.20 -1.40 -0.05 0.00 -0.57 0.00 0.00 43.02 41.21 2kds s PHE 32 CO 0.29 0.30 -0.08 0.14 -0.10 0.00 0.00 175.22 175.77 2kds s VAL 33 N -1.00 1.28 -0.15 -0.44 -7.23 -0.88 -0.99 120.40 110.98 2kds s VAL 33 Ca 0.16 -2.09 -0.12 0.00 -1.81 0.00 0.00 61.98 58.12 2kds s VAL 33 Cb -0.10 -2.09 -0.05 0.00 0.56 0.00 0.00 36.38 34.70 2kds s VAL 33 CO 0.07 -0.55 0.24 -0.22 -0.31 0.00 0.00 175.10 174.33 2kds s LEU 34 N -3.26 4.28 0.10 1.32 0.20 -1.11 -2.14 118.68 118.06 2kds s LEU 34 Ca 0.22 0.48 0.07 0.00 0.69 0.00 0.00 54.13 55.59 2kds s LEU 34 Cb 0.03 -2.28 -0.03 0.00 -0.43 0.00 0.00 46.19 43.48 2kds s LEU 34 CO 0.05 0.19 -0.17 0.68 -0.29 0.00 0.00 176.35 176.80 2kds s VAL 35 N 0.07 1.44 0.04 1.68 -7.23 0.95 0.05 120.40 117.41 2kds s VAL 35 Ca 0.15 -1.49 -0.06 0.00 -1.81 0.00 0.00 61.98 58.77 2kds s VAL 35 Cb -0.13 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.43 2kds s VAL 35 CO 0.03 -0.17 0.10 0.28 -0.31 0.00 0.00 175.10 175.04 2kds s THR 36 N -1.35 0.13 0.24 5.32 -1.32 -0.07 -0.31 115.64 118.28 2kds s THR 36 Ca 0.04 -1.09 -0.14 0.00 -1.21 0.00 0.00 61.69 59.29 2kds s THR 36 Cb -0.09 -0.92 0.00 0.00 -1.51 0.00 0.00 72.50 69.97 2kds s THR 36 CO 0.03 -0.60 0.49 -0.83 -2.21 0.00 0.00 174.62 171.50 2kds s GLY 37 N -2.16 0.42 -0.35 6.08 0.00 -0.67 0.32 107.32 110.95 2kds s GLY 37 Ca -0.04 -0.76 -0.29 0.00 0.00 0.00 0.00 44.72 43.63 2kds s GLY 37 CO -0.05 -0.56 1.66 2.56 0.00 0.00 0.00 173.10 176.71 2kds s PRO 38 N -3.99 3.45 0.27 2.90 0.04 -1.19 -3.95 135.00 132.53 2kds s PRO 38 Ca 0.20 1.29 -0.03 0.00 0.04 0.00 0.00 61.00 62.50 2kds s PRO 38 Cb -0.01 -4.13 0.37 0.00 0.04 0.00 0.00 34.50 30.78 2kds s PRO 38 CO 0.07 -1.71 1.92 -0.22 0.04 0.00 0.00 177.00 177.10 2kds h LYS 39 N 11.98 1.19 -0.79 4.56 3.64 -1.82 -1.56 116.57 133.77 2kds h LYS 39 Ca -0.32 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 58.95 2kds h LYS 39 Cb 1.15 -0.27 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 2kds h LYS 39 CO 1.05 0.79 0.31 -0.44 -2.27 0.00 0.00 179.45 178.88 2kds h ASP 40 N 1.22 1.09 0.00 4.20 3.32 -1.90 -3.07 116.42 121.28 2kds h ASP 40 Ca 0.38 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2kds h ASP 40 Cb -0.01 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.26 2kds h ASP 40 CO -0.11 0.97 0.00 -0.38 -1.72 0.00 0.00 179.24 177.99 2kds n ILE 41 N -4.29 0.00 -0.05 0.35 5.41 -1.04 -4.66 119.36 115.08 2kds n ILE 41 Ca 0.07 0.11 0.01 0.00 1.00 0.00 0.00 62.75 63.94 2kds n ILE 41 Cb 0.19 -0.99 0.32 0.00 -0.71 0.00 0.00 39.64 38.46 2kds n ILE 41 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2kds h THR 42 N 0.00 1.17 0.00 1.39 2.02 -1.67 -3.47 112.91 112.35 2kds h THR 42 Ca 0.00 -0.50 0.00 0.00 0.77 0.00 0.00 66.41 66.68 2kds h THR 42 Cb 0.00 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2kds h THR 42 CO 0.00 0.20 0.00 0.61 0.37 0.00 0.00 175.52 176.70 2kds n GLY 43 N -1.18 0.49 3.70 2.16 0.00 -0.63 -4.97 105.19 104.77 2kds n GLY 43 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.08 5.15 0.00 1.61 -7.23 -1.25 -4.71 120.40 111.88 2kds s VAL 44 Ca 0.00 1.02 0.00 0.00 -1.81 0.00 0.00 61.98 61.19 2kds s VAL 44 Cb 0.00 -3.85 0.00 0.00 0.56 0.00 0.00 36.38 33.09 2kds s VAL 44 CO 0.00 0.27 0.00 1.17 -0.31 0.00 0.00 175.10 176.23 2kds n LYS 45 N 4.01 0.00 -3.69 4.82 4.81 -1.25 -2.23 118.16 124.63 2kds n LYS 45 Ca -0.06 0.05 -0.12 0.00 -0.87 0.00 0.00 58.31 57.32 2kds n LYS 45 Cb 0.51 -0.34 -0.12 0.00 0.02 0.00 0.00 35.03 35.10 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 -0.44 0.25 0.20 1.64 3.52 -1.26 -1.67 118.95 121.18 2kds s ARG 46 Ca 0.00 0.74 -0.19 0.00 -0.13 0.00 0.00 55.73 56.14 2kds s ARG 46 Cb 0.00 -0.00 0.04 0.00 -1.56 0.00 0.00 34.95 33.43 2kds s ARG 46 CO 0.00 -0.21 0.57 -0.98 -0.81 0.00 0.00 175.30 173.86 2kds s ARG 47 N 1.85 1.41 -0.07 5.12 1.70 0.58 -4.98 118.95 124.56 2kds s ARG 47 Ca -0.05 -0.79 -0.02 0.00 -0.47 0.00 0.00 55.73 54.39 2kds s ARG 47 Cb -0.11 0.55 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2kds s ARG 47 CO -0.10 -0.61 0.04 1.03 -1.08 0.00 0.00 175.30 174.58 2kds s ARG 48 N -3.85 3.07 0.02 3.89 0.52 -1.26 -0.03 118.95 121.30 2kds s ARG 48 Ca 0.07 -0.38 0.03 0.00 -0.52 0.00 0.00 55.73 54.94 2kds s ARG 48 Cb -0.02 -2.87 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 2kds s ARG 48 CO -0.04 0.71 -0.09 0.54 0.02 0.00 0.00 175.30 176.44 2kds s VAL 49 N -0.97 0.69 0.49 3.52 0.11 -0.91 -4.95 120.40 118.38 2kds s VAL 49 Ca 0.15 -0.64 -0.16 0.00 -2.93 0.00 0.00 61.98 58.40 2kds s VAL 49 Cb -0.12 -0.63 -0.08 0.00 -1.53 0.00 0.00 36.38 34.03 2kds s VAL 49 CO 0.05 0.00 0.95 0.21 -3.33 0.00 0.00 175.10 172.98 2kds s ASN 50 N -0.71 6.63 0.61 3.54 3.84 -1.26 -2.08 114.94 125.50 2kds s ASN 50 Ca -0.00 1.52 0.33 0.00 0.21 0.00 0.00 52.86 54.91 2kds s ASN 50 Cb -0.06 -2.48 1.89 0.00 -0.55 0.00 0.00 41.25 40.05 2kds s ASN 50 CO 0.00 -0.55 2.20 0.40 -2.79 0.00 0.00 177.10 176.37 2kds h ILE 51 N 1.00 0.35 -0.67 -5.21 2.04 -1.64 -1.98 117.51 111.40 2kds h ILE 51 Ca -0.47 0.00 0.19 0.00 1.00 0.00 0.00 64.86 65.58 2kds h ILE 51 Cb 1.18 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 2kds h ILE 51 CO 0.62 0.00 0.48 -0.07 0.00 0.00 0.00 178.15 179.18 2kds h LEU 52 N 0.00 0.00 -7.49 1.44 3.38 -1.92 -2.95 115.31 107.77 2kds h LEU 52 Ca 0.03 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.34 2kds h LEU 52 Cb 0.22 0.00 -0.39 0.00 0.09 0.00 0.00 40.66 40.58 2kds h LEU 52 CO -0.00 0.00 -0.56 -1.00 0.09 0.00 0.00 178.44 176.97 2kds s HIS 53 N -4.99 3.33 -0.13 1.13 3.76 -0.75 -5.07 115.29 112.58 2kds s HIS 53 Ca -0.05 -2.99 -0.00 0.00 -0.15 0.00 0.00 55.06 51.87 2kds s HIS 53 Cb 0.20 -2.96 -0.02 0.00 1.11 0.00 0.00 32.58 30.91 2kds s HIS 53 CO 0.74 -0.80 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.53 2kds s LEU 54 N -0.03 2.75 -0.37 0.89 2.96 -1.12 -4.80 118.68 118.96 2kds s LEU 54 Ca 0.16 -0.31 0.00 0.00 -0.22 0.00 0.00 54.13 53.76 2kds s LEU 54 Cb -0.23 -1.62 0.14 0.00 0.50 0.00 0.00 46.19 44.98 2kds s LEU 54 CO -0.02 0.17 0.21 -0.70 -1.32 0.00 0.00 176.35 174.69 2kds s GLU 55 N 0.31 0.69 0.21 1.98 2.56 -1.26 -5.01 118.70 118.17 2kds s GLU 55 Ca -0.10 -1.44 -0.12 0.00 0.00 0.00 0.00 54.97 53.32 2kds s GLU 55 Cb -0.16 -1.51 -0.07 0.00 2.00 0.00 0.00 34.13 34.39 2kds s GLU 55 CO 0.05 -1.19 0.56 -1.25 -0.56 0.00 0.00 175.26 172.87 2kds s PRO 56 N 0.96 3.88 0.33 4.30 0.04 -1.26 -2.22 135.00 141.03 2kds s PRO 56 Ca 0.18 0.38 0.10 0.00 0.04 0.00 0.00 61.00 61.70 2kds s PRO 56 Cb -0.23 -2.74 -0.06 0.00 0.04 0.00 0.00 34.50 31.51 2kds s PRO 56 CO -0.00 0.36 -0.11 0.95 0.04 0.00 0.00 177.00 178.24 2kds s THR 57 N -1.70 2.33 -0.04 1.26 -4.23 -1.07 -4.98 115.64 107.20 2kds s THR 57 Ca 0.44 -2.24 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 2kds s THR 57 Cb -0.13 -2.58 -0.03 0.00 1.34 0.00 0.00 72.50 71.10 2kds s THR 57 CO 0.20 -0.25 1.20 1.51 -0.54 0.00 0.00 174.62 176.74 2kds s ASP 58 N -3.59 7.06 0.11 3.99 1.47 -1.26 -4.64 116.67 119.80 2kds s ASP 58 Ca 0.32 1.83 -0.05 0.00 1.18 0.00 0.00 52.55 55.83 2kds s ASP 58 Cb 0.01 -2.56 0.02 0.00 -0.34 0.00 0.00 42.92 40.04 2kds s ASP 58 CO 0.16 -0.57 0.26 0.29 0.68 0.00 0.00 175.17 176.00 2kds n LYS 59 N 5.04 0.31 -2.82 2.11 5.02 -1.26 -4.99 118.16 121.57 2kds n LYS 59 Ca 0.11 -0.63 -0.33 0.00 -2.02 0.00 0.00 58.31 55.44 2kds n LYS 59 Cb 0.46 0.79 -0.06 0.00 -0.02 0.00 0.00 35.03 36.21 2kds n LYS 59 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2kds s LYS 60 N -2.02 4.12 -0.17 1.97 2.20 -1.26 -5.00 119.74 119.57 2kds s LYS 60 Ca 0.05 0.97 0.01 0.00 -0.36 0.00 0.00 55.97 56.65 2kds s LYS 60 Cb -0.01 -2.23 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2kds s LYS 60 CO 0.03 -0.03 -0.19 -1.50 -0.36 0.00 0.00 175.35 173.30 2kds s ILE 61 N -2.21 1.99 -0.30 5.43 2.07 -1.23 -4.13 121.20 122.82 2kds s ILE 61 Ca 0.59 -0.90 -0.13 0.00 -1.41 0.00 0.00 60.65 58.81 2kds s ILE 61 Cb -0.09 -1.81 0.20 0.00 0.13 0.00 0.00 42.46 40.89 2kds s ILE 61 CO 0.17 0.53 1.16 -0.62 -1.91 0.00 0.00 174.94 174.27 2kds s ASP 62 N 1.30 -0.03 -0.06 4.50 2.15 -1.26 -5.06 116.67 118.21 2kds s ASP 62 Ca 0.05 -0.02 0.04 0.00 0.43 0.00 0.00 52.55 53.04 2kds s ASP 62 Cb -0.13 0.04 -0.02 0.00 -0.30 0.00 0.00 42.92 42.51 2kds s ASP 62 CO -0.12 -0.00 -0.16 -0.63 -0.17 0.00 0.00 175.17 174.08 2kds s ILE 63 N 1.76 2.89 0.22 4.11 -1.09 -1.26 -4.99 121.20 122.84 2kds s ILE 63 Ca 0.16 -0.78 -0.09 0.00 -2.23 0.00 0.00 60.65 57.71 2kds s ILE 63 Cb 0.07 -2.12 0.19 0.00 -1.58 0.00 0.00 42.46 39.02 2kds s ILE 63 CO -0.16 0.58 1.87 1.56 -1.23 0.00 0.00 174.94 177.56 2kds h GLN 64 N 5.57 1.13 0.00 2.79 4.20 -2.01 -3.48 115.11 123.32 2kds h GLN 64 Ca -0.43 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.19 2kds h GLN 64 Cb 1.16 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.70 2kds h GLN 64 CO 0.50 0.79 0.00 1.17 -0.67 0.00 0.00 178.83 180.63 2kds n LYS 65 N -4.45 0.00 -0.86 1.46 4.81 -1.26 -4.96 118.16 112.91 2kds n LYS 65 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.53 2kds n LYS 65 Cb 0.05 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.10 2kds n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kds n GLY 66 N 0.80 0.51 3.62 3.14 0.00 -1.25 -5.00 105.19 107.00 2kds n GLY 66 Ca 0.00 -0.88 -0.41 0.00 0.00 0.00 0.00 46.02 44.73 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 0.35 0.33 -1.20 4.61 0.00 -1.26 -4.97 120.51 118.37 2kds n ALA 67 Ca 0.00 0.19 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 2kds n ALA 67 Cb 0.02 -2.11 0.15 0.00 0.00 0.00 0.00 19.45 17.52 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 -0.81 3.11 0.14 0.00 1.04 -1.26 -4.58 113.70 111.34 2kds s SER 68 Ca 0.65 1.35 -0.18 0.00 0.48 0.00 0.00 55.95 58.25 2kds s SER 68 Cb -0.52 -2.02 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2kds s SER 68 CO 0.55 -2.85 1.79 0.44 0.98 0.00 0.00 173.24 174.15 2kds h ASP 69 N -1.70 0.29 -0.77 7.02 3.32 -1.97 1.22 116.42 123.83 2kds h ASP 69 Ca -0.52 -0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 2kds h ASP 69 Cb 1.30 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 2kds h ASP 69 CO 0.56 0.21 0.37 -0.08 -1.72 0.00 0.00 179.24 178.58 2kds h GLU 70 N 0.35 1.10 -0.40 3.56 4.81 -1.99 0.36 114.58 122.37 2kds h GLU 70 Ca 0.11 -0.16 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 2kds h GLU 70 Cb -0.02 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2kds h GLU 70 CO -0.04 0.86 -0.02 0.93 -0.73 0.00 0.00 179.01 180.01 2kds h GLU 71 N 1.08 0.65 -0.48 1.92 5.08 -1.77 -2.06 114.58 119.00 2kds h GLU 71 Ca 0.26 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.40 2kds h GLU 71 Cb 0.11 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2kds h GLU 71 CO -0.03 0.68 0.06 0.28 -1.00 0.00 0.00 179.01 179.00 2kds h VAL 72 N 0.62 1.25 -0.68 3.13 2.07 0.34 -2.66 116.25 120.32 2kds h VAL 72 Ca 0.12 -0.95 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2kds h VAL 72 Cb 0.41 0.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2kds h VAL 72 CO 0.02 0.33 0.42 0.11 0.02 0.00 0.00 177.57 178.47 2kds h LYS 73 N 0.67 0.92 -0.84 1.57 1.57 0.17 -1.83 116.57 118.81 2kds h LYS 73 Ca 0.14 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.87 2kds h LYS 73 Cb 0.41 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 2kds h LYS 73 CO 0.01 0.65 0.55 0.87 -0.57 0.00 0.00 179.45 180.96 2kds h LYS 74 N 0.93 1.06 -0.26 3.15 1.57 -1.23 -0.35 116.57 121.44 2kds h LYS 74 Ca 0.25 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2kds h LYS 74 Cb -0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.01 2kds h LYS 74 CO -0.05 0.70 0.15 0.87 -0.57 0.00 0.00 179.45 180.56 2kds h LYS 75 N 1.09 0.34 -0.83 3.15 1.57 -0.99 -1.47 116.57 119.42 2kds h LYS 75 Ca 0.32 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 59.14 2kds h LYS 75 Cb -0.06 -0.07 -0.05 0.00 0.08 0.00 0.00 32.23 32.12 2kds h LYS 75 CO -0.08 0.24 0.54 -0.07 -0.57 0.00 0.00 179.45 179.51 2kds h LEU 76 N 0.35 0.81 -1.70 2.94 3.38 -0.62 0.21 115.31 120.68 2kds h LEU 76 Ca 0.09 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 2kds h LEU 76 Cb -0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2kds h LEU 76 CO -0.02 0.52 0.27 -0.33 0.09 0.00 0.00 178.44 178.97 2kds h GLU 77 N 0.92 0.38 -0.57 1.13 5.08 -1.29 1.12 114.58 121.35 2kds h GLU 77 Ca 0.36 -0.02 0.01 0.00 -1.00 0.00 0.00 59.36 58.70 2kds h GLU 77 Cb 0.22 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 2kds h GLU 77 CO -0.13 0.25 0.38 0.93 -1.00 0.00 0.00 179.01 179.44 2kds h GLU 78 N 0.39 0.75 0.00 2.33 5.08 -0.65 0.67 114.58 123.15 2kds h GLU 78 Ca 0.17 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.46 2kds h GLU 78 Cb 0.18 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.26 2kds h GLU 78 CO -0.04 0.50 -0.09 0.77 -1.00 0.00 0.00 179.01 179.15 2kds h SER 79 N 0.78 0.00 -4.33 1.42 0.02 0.14 -3.47 113.55 108.10 2kds h SER 79 Ca 0.21 0.00 -0.23 0.00 -0.84 0.00 0.00 61.79 60.93 2kds h SER 79 Cb -0.09 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.56 2kds h SER 79 CO -0.05 0.09 -0.49 0.59 -1.14 0.00 0.00 176.83 175.84 2kds n ASN 80 N -3.25 -2.98 0.23 3.07 3.02 0.23 -4.90 115.26 110.69 2kds n ASN 80 Ca 0.00 -0.39 0.08 0.00 -0.03 0.00 0.00 54.58 54.24 2kds n ASN 80 Cb 0.34 -3.53 0.56 0.00 -0.61 0.00 0.00 39.78 36.54 2kds n ASN 80 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2kds h LEU 81 N -1.43 0.00 -1.64 3.41 4.07 -1.80 -2.76 115.31 115.16 2kds h LEU 81 Ca -0.38 0.00 0.45 0.00 0.08 0.00 0.00 57.88 58.03 2kds h LEU 81 Cb 1.23 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 42.87 2kds h LEU 81 CO 0.34 0.21 1.00 0.74 -1.08 0.00 0.00 178.44 179.65 2kds h THR 82 N 0.00 0.14 0.00 0.22 2.02 -1.91 -3.34 112.91 110.04 2kds h THR 82 Ca -0.00 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.16 2kds h THR 82 Cb 0.44 0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2kds h THR 82 CO 0.03 0.01 0.00 1.21 0.37 0.00 0.00 175.52 177.14 2kds n GLU 83 N -4.42 0.62 -0.27 6.66 2.13 -1.24 -4.89 120.64 119.24 2kds n GLU 83 Ca 0.37 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 58.14 2kds n GLU 83 Cb 1.55 -0.06 0.06 0.00 0.27 0.00 0.00 31.44 33.26 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 0.97 0.00 4.31 3.20 -1.62 -3.43 116.97 120.39 2kds h TYR 84 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2kds h TYR 84 Cb 0.00 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2kds h TYR 84 CO 0.00 0.64 0.00 -1.33 -1.64 0.00 0.00 178.16 175.83 2kds n MET 85 N -4.53 0.00 -2.65 1.82 2.81 -1.25 -4.79 117.12 108.53 2kds n MET 85 Ca 0.07 0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.80 2kds n MET 85 Cb 0.04 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 32.55 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 -2.61 0.25 0.03 5.02 -1.26 -4.84 118.16 114.74 2kds n LYS 86 Ca 0.00 0.65 0.08 0.00 -2.02 0.00 0.00 58.31 57.03 2kds n LYS 86 Cb 0.00 -5.30 0.63 0.00 -0.02 0.00 0.00 35.03 30.33 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 -0.29 0.00 -5.20 1.97 5.08 -1.93 -3.48 114.58 110.73 2kds h GLU 87 Ca -0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.00 2kds h GLU 87 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2kds h GLU 87 CO 0.43 0.11 -0.26 1.63 -1.00 0.00 0.00 179.01 179.92 2kds n LYS 88 N -4.17 -1.81 -0.29 2.33 5.02 -1.26 -4.80 118.16 113.17 2kds n LYS 88 Ca -0.03 1.78 0.02 0.00 -2.02 0.00 0.00 58.31 58.07 2kds n LYS 88 Cb 0.19 -5.51 0.22 0.00 -0.02 0.00 0.00 35.03 29.92 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 1.24 1.12 -4.22 -0.18 2.04 -1.92 -3.40 117.51 112.20 2kds h ILE 89 Ca 0.00 -0.37 -0.69 0.00 1.00 0.00 0.00 64.86 64.80 2kds h ILE 89 Cb 0.97 -0.04 -0.25 0.00 -0.74 0.00 0.00 36.82 36.75 2kds h ILE 89 CO 0.23 0.20 -0.81 -0.54 0.00 0.00 0.00 178.15 177.23 2kds s LYS 90 N -5.92 2.38 0.40 2.37 1.02 -1.26 -4.99 119.74 113.73 2kds s LYS 90 Ca -0.12 -0.77 0.08 0.00 0.02 0.00 0.00 55.97 55.18 2kds s LYS 90 Cb 0.19 -2.27 0.82 0.00 -0.52 0.00 0.00 37.83 36.05 2kds s LYS 90 CO 0.80 0.60 1.99 0.82 -0.92 0.00 0.00 175.35 178.64 2kds h ILE 91 N 4.39 1.13 -3.40 2.17 2.04 -1.96 -3.39 117.51 118.49 2kds h ILE 91 Ca -0.45 -0.47 -0.55 0.00 1.00 0.00 0.00 64.86 64.39 2kds h ILE 91 Cb 1.14 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 2kds h ILE 91 CO 0.49 0.17 0.23 -0.60 0.00 0.00 0.00 178.15 178.44 2kds s ARG 92 N -5.12 4.51 0.17 2.37 3.52 -1.26 -4.77 118.95 118.37 2kds s ARG 92 Ca -0.07 1.17 0.00 0.00 -0.13 0.00 0.00 55.73 56.70 2kds s ARG 92 Cb 0.16 -3.44 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2kds s ARG 92 CO 0.73 0.04 0.00 -1.33 -0.81 0.00 0.00 175.30 173.94 2kds n MET 93 N 3.69 0.00 -0.01 5.12 2.81 -1.26 -4.99 117.12 122.47 2kds n MET 93 Ca 0.02 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.90 2kds n MET 93 Cb 0.51 0.00 -0.00 0.00 -0.71 0.00 0.00 33.22 33.02 2kds n MET 93 CO 0.00 0.00 0.00 -1.00 1.51 0.00 0.00 175.97 176.48 2kds h PRO 94 N 0.00 0.00 -0.01 0.03 0.13 -1.94 -3.41 132.00 126.80 2kds h PRO 94 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kds h PRO 94 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kds h PRO 94 CO 0.00 0.00 -0.37 0.25 -0.23 0.00 0.00 178.00 177.65 2kds n THR 95 N -2.70 0.00 -0.01 1.56 -2.24 -1.26 -5.32 114.28 104.31 2kds n THR 95 Ca -0.01 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2kds n THR 95 Cb 0.04 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 2kds n THR 95 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68