#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 1.61 -2.64 0.55 0.00 -1.26 -5.01 120.51 113.76 2kds n ALA 3 Ca 0.00 0.13 -0.33 0.00 0.00 0.00 0.00 53.44 53.24 2kds n ALA 3 Cb 0.00 -2.36 -0.13 0.00 0.00 0.00 0.00 19.45 16.96 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 -1.28 3.11 0.16 0.00 1.01 -1.26 -4.97 121.20 117.97 2kds s ILE 4 Ca 0.71 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 2kds s ILE 4 Cb -0.42 -2.24 0.05 0.00 0.01 0.00 0.00 42.46 39.86 2kds s ILE 4 CO 0.49 0.57 0.71 -1.84 0.00 0.00 0.00 174.94 174.87 2kds n GLU 5 N 2.62 0.54 -1.29 2.79 0.28 -1.26 -5.14 120.64 119.18 2kds n GLU 5 Ca -0.17 -1.17 -0.33 0.00 -0.16 0.00 0.00 57.16 55.32 2kds n GLU 5 Cb 0.52 1.56 0.11 0.00 1.43 0.00 0.00 31.44 35.06 2kds n GLU 5 CO 0.00 0.00 0.00 0.14 -0.16 0.00 0.00 177.13 177.11 2kds s VAL 6 N -2.24 2.33 0.00 3.84 -7.23 -1.26 -3.89 120.40 111.96 2kds s VAL 6 Ca 0.15 0.15 0.00 0.00 -1.81 0.00 0.00 61.98 60.47 2kds s VAL 6 Cb -0.02 -2.61 0.00 0.00 0.56 0.00 0.00 36.38 34.31 2kds s VAL 6 CO 0.05 -0.10 0.00 0.61 -0.31 0.00 0.00 175.10 175.35 2kds n GLY 7 N 0.25 0.98 3.55 2.32 0.00 -1.20 -4.70 105.19 106.39 2kds n GLY 7 Ca 0.13 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.29 1.84 -0.10 1.61 1.70 -1.25 -0.22 118.95 121.23 2kds s ARG 8 Ca 0.00 -2.04 -0.05 0.00 -0.47 0.00 0.00 55.73 53.16 2kds s ARG 8 Cb 0.00 -1.29 -0.04 0.00 -0.57 0.00 0.00 34.95 33.05 2kds s ARG 8 CO 0.00 -0.13 0.12 0.42 -1.08 0.00 0.00 175.30 174.63 2kds s ILE 9 N -2.97 5.29 0.21 4.99 -1.09 -1.24 -1.78 121.20 124.61 2kds s ILE 9 Ca 0.34 0.07 0.11 0.00 -2.23 0.00 0.00 60.65 58.94 2kds s ILE 9 Cb 0.09 -3.32 -0.04 0.00 -1.58 0.00 0.00 42.46 37.60 2kds s ILE 9 CO 0.16 0.57 -0.16 0.00 -1.23 0.00 0.00 174.94 174.28 2kds s VAL 11 N -1.92 1.98 0.08 0.00 1.01 -0.88 0.18 120.40 120.86 2kds s VAL 11 Ca 0.25 -1.06 -0.27 0.00 0.00 0.00 0.00 61.98 60.90 2kds s VAL 11 Cb -0.07 -1.66 -0.06 0.00 0.00 0.00 0.00 36.38 34.59 2kds s VAL 11 CO 0.14 0.56 0.85 -0.75 0.00 0.00 0.00 175.10 175.89 2kds s LYS 12 N -0.43 4.59 -0.86 2.72 2.20 -0.88 -4.26 119.74 122.81 2kds s LYS 12 Ca 0.05 1.23 -0.03 0.00 -0.36 0.00 0.00 55.97 56.86 2kds s LYS 12 Cb -0.11 -3.36 0.21 0.00 -1.51 0.00 0.00 37.83 33.06 2kds s LYS 12 CO 0.01 0.27 0.75 0.54 -0.36 0.00 0.00 175.35 176.55 2kds s VAL 13 N -0.08 4.41 0.20 4.02 0.11 -1.26 -4.37 120.40 123.43 2kds s VAL 13 Ca 0.42 -3.65 -0.17 0.00 -2.93 0.00 0.00 61.98 55.64 2kds s VAL 13 Cb -0.22 -3.75 0.03 0.00 -1.53 0.00 0.00 36.38 30.91 2kds s VAL 13 CO 0.26 -1.06 0.53 -0.54 -3.33 0.00 0.00 175.10 170.96 2kds s LYS 14 N -1.10 1.39 0.66 1.54 1.02 -1.26 -5.05 119.74 116.95 2kds s LYS 14 Ca 0.26 -0.87 -0.08 0.00 0.02 0.00 0.00 55.97 55.29 2kds s LYS 14 Cb -0.09 0.52 0.02 0.00 -0.52 0.00 0.00 37.83 37.76 2kds s LYS 14 CO -0.11 -0.59 1.01 0.20 -0.92 0.00 0.00 175.35 174.94 2kds s GLY 15 N -2.88 1.62 0.38 -3.33 0.00 -1.26 -3.59 107.32 98.27 2kds s GLY 15 Ca 0.09 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2kds s GLY 15 CO -0.02 -0.26 0.00 0.54 0.00 0.00 0.00 173.10 173.36 2kds n ARG 16 N -2.83 -4.13 -1.31 2.90 1.74 -1.26 -4.12 116.66 107.65 2kds n ARG 16 Ca 0.06 3.03 -0.09 0.00 -0.77 0.00 0.00 57.85 60.07 2kds n ARG 16 Cb 0.58 -3.47 -0.04 0.00 -1.02 0.00 0.00 32.46 28.51 2kds n ARG 16 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kds n GLU 17 N -0.16 -1.25 -0.15 5.56 2.13 -1.26 -4.72 120.64 120.79 2kds n GLU 17 Ca 0.00 0.54 -0.05 0.00 0.66 0.00 0.00 57.16 58.31 2kds n GLU 17 Cb 0.00 -4.73 0.04 0.00 0.27 0.00 0.00 31.44 27.03 2kds n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kds h ALA 18 N 1.12 0.59 -1.99 4.31 0.00 -1.71 -3.36 119.26 118.21 2kds h ALA 18 Ca -0.19 0.03 -0.68 0.00 0.00 0.00 0.00 54.91 54.07 2kds h ALA 18 Cb 0.62 -0.04 -0.18 0.00 0.00 0.00 0.00 17.79 18.20 2kds h ALA 18 CO 0.27 -0.15 0.14 0.20 0.00 0.00 0.00 179.25 179.72 2kds s GLY 19 N -2.81 1.72 -0.11 0.00 0.00 -1.26 -3.53 107.32 101.33 2kds s GLY 19 Ca -0.13 -1.84 -0.08 0.00 0.00 0.00 0.00 44.72 42.67 2kds s GLY 19 CO 0.73 1.59 0.27 -0.45 0.00 0.00 0.00 173.10 175.24 2kds s SER 20 N 3.02 -0.29 0.00 1.64 0.15 -1.26 -4.72 113.70 112.25 2kds s SER 20 Ca 0.16 0.57 -0.15 0.00 0.70 0.00 0.00 55.95 57.22 2kds s SER 20 Cb -0.20 0.52 -0.06 0.00 -1.71 0.00 0.00 66.02 64.57 2kds s SER 20 CO 0.11 -0.13 0.42 -0.54 1.20 0.00 0.00 173.24 174.30 2kds s LYS 21 N 0.66 3.95 -0.00 5.44 3.01 -1.26 -2.07 119.74 129.46 2kds s LYS 21 Ca -0.04 0.43 0.04 0.00 -1.01 0.00 0.00 55.97 55.39 2kds s LYS 21 Cb -0.06 -3.23 -0.01 0.00 -1.01 0.00 0.00 37.83 33.52 2kds s LYS 21 CO -0.04 0.67 -0.13 0.00 0.51 0.00 0.00 175.35 176.36 2kds s VAL 23 N -0.37 4.90 -0.17 0.00 1.01 0.40 0.22 120.40 126.40 2kds s VAL 23 Ca 0.05 -0.01 -0.07 0.00 0.00 0.00 0.00 61.98 61.94 2kds s VAL 23 Cb -0.05 -3.15 -0.04 0.00 0.00 0.00 0.00 36.38 33.14 2kds s VAL 23 CO -0.00 0.55 0.07 -0.63 0.00 0.00 0.00 175.10 175.09 2kds s ILE 24 N -0.39 4.90 -0.45 2.22 1.01 -0.73 -1.01 121.20 126.75 2kds s ILE 24 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 60.65 60.81 2kds s ILE 24 Cb -0.12 -3.19 0.23 0.00 0.01 0.00 0.00 42.46 39.39 2kds s ILE 24 CO 0.02 0.49 0.69 1.33 0.00 0.00 0.00 174.94 177.47 2kds n VAL 25 N 3.18 -0.35 0.00 2.92 0.24 -0.07 -3.27 118.33 120.98 2kds n VAL 25 Ca -0.17 -2.45 0.00 0.00 -2.04 0.00 0.00 64.34 59.68 2kds n VAL 25 Cb 0.53 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 1.87 0.00 -4.19 -1.34 2.03 -1.26 -3.73 116.55 109.94 2kds n ASP 26 Ca 0.16 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.15 2kds n ASP 26 Cb 0.57 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.72 2.01 0.00 5.18 1.01 -1.26 -2.76 121.20 123.66 2kds s ILE 27 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 60.65 59.68 2kds s ILE 27 Cb 0.00 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.72 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 3.79 0.00 -0.20 2.92 2.08 -0.30 -4.85 119.36 122.79 2kds n ILE 28 Ca -0.20 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.03 2kds n ILE 28 Cb 0.52 0.00 0.02 0.00 -0.75 0.00 0.00 39.64 39.43 2kds n ILE 28 CO 0.00 0.00 0.00 -0.78 0.56 0.00 0.00 176.55 176.33 2kds h ASP 29 N 0.00 0.84 0.00 4.38 3.58 -2.00 -3.47 116.42 119.75 2kds h ASP 29 Ca 0.00 -0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.24 2kds h ASP 29 Cb 0.00 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 40.83 2kds h ASP 29 CO 0.00 0.83 0.00 -0.90 -2.88 0.00 0.00 179.24 176.29 2kds n ASP 30 N -4.42 0.00 -0.93 2.28 5.68 -1.26 -4.95 116.55 112.95 2kds n ASP 30 Ca 0.03 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.43 2kds n ASP 30 Cb 0.21 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.46 2kds n ASP 30 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 2kds n ASN 31 N 0.00 2.78 -4.54 -1.12 3.02 -1.26 -4.91 115.26 109.24 2kds n ASN 31 Ca 0.00 -1.89 -0.33 0.00 -0.03 0.00 0.00 54.58 52.33 2kds n ASN 31 Cb 0.00 -0.19 -0.12 0.00 -0.61 0.00 0.00 39.78 38.87 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 -1.63 2.82 0.18 3.10 0.08 -1.26 -1.58 117.98 119.69 2kds s PHE 32 Ca 0.36 -0.07 0.05 0.00 0.12 0.00 0.00 56.93 57.39 2kds s PHE 32 Cb 0.21 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.96 2kds s PHE 32 CO 0.30 0.28 -0.09 0.14 -0.10 0.00 0.00 175.22 175.74 2kds s VAL 33 N -0.82 1.31 -0.18 -0.44 -7.23 -0.91 -1.15 120.40 110.98 2kds s VAL 33 Ca 0.13 -2.10 -0.09 0.00 -1.81 0.00 0.00 61.98 58.12 2kds s VAL 33 Cb -0.11 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.77 2kds s VAL 33 CO 0.02 -0.62 0.12 -0.22 -0.31 0.00 0.00 175.10 174.09 2kds s LEU 34 N -3.24 4.16 0.10 1.32 0.20 -1.11 -2.11 118.68 117.99 2kds s LEU 34 Ca 0.21 0.25 0.07 0.00 0.69 0.00 0.00 54.13 55.34 2kds s LEU 34 Cb 0.02 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 2kds s LEU 34 CO 0.04 0.23 -0.17 0.68 -0.29 0.00 0.00 176.35 176.85 2kds s VAL 35 N 0.02 1.41 0.02 1.68 -7.23 0.44 -0.89 120.40 115.86 2kds s VAL 35 Ca 0.09 -1.52 -0.09 0.00 -1.81 0.00 0.00 61.98 58.64 2kds s VAL 35 Cb -0.11 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.43 2kds s VAL 35 CO -0.00 -0.22 0.18 0.28 -0.31 0.00 0.00 175.10 175.02 2kds s THR 36 N -1.49 0.10 -0.04 5.32 -1.32 -0.18 -0.90 115.64 117.13 2kds s THR 36 Ca 0.05 -0.80 -0.29 0.00 -1.21 0.00 0.00 61.69 59.44 2kds s THR 36 Cb -0.09 -0.71 0.10 0.00 -1.51 0.00 0.00 72.50 70.29 2kds s THR 36 CO 0.03 -0.44 0.83 -0.83 -2.21 0.00 0.00 174.62 172.01 2kds s GLY 37 N -1.77 -0.45 -0.28 6.08 0.00 -0.98 -0.45 107.32 109.48 2kds s GLY 37 Ca -0.09 1.34 -0.30 0.00 0.00 0.00 0.00 44.72 45.67 2kds s GLY 37 CO -0.01 0.69 2.24 -1.05 0.00 0.00 0.00 173.10 174.96 2kds n PRO 38 N 0.33 1.67 -0.19 2.90 -0.01 -1.26 -4.10 135.00 134.33 2kds n PRO 38 Ca -0.13 0.43 0.08 0.00 -0.01 0.00 0.00 63.50 63.88 2kds n PRO 38 Cb 0.60 -3.06 0.37 0.00 -0.01 0.00 0.00 33.50 31.40 2kds n PRO 38 CO 0.00 0.00 0.00 -0.22 -0.01 0.00 0.00 175.50 175.27 2kds h LYS 39 N 14.77 0.69 -0.93 -0.52 3.64 -1.82 1.51 116.57 133.91 2kds h LYS 39 Ca -0.36 -0.04 0.10 0.00 -1.27 0.00 0.00 60.65 59.08 2kds h LYS 39 Cb 1.26 -0.16 -0.07 0.00 -0.41 0.00 0.00 32.23 32.86 2kds h LYS 39 CO 0.99 0.46 0.59 -0.44 -2.27 0.00 0.00 179.45 178.78 2kds h ASP 40 N 0.71 0.84 0.00 4.20 3.32 -1.90 -0.70 116.42 122.90 2kds h ASP 40 Ca 0.34 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.31 2kds h ASP 40 Cb 0.40 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 2kds h ASP 40 CO -0.12 0.49 -1.42 -0.38 -1.72 0.00 0.00 179.24 176.09 2kds n ILE 41 N -4.55 0.42 0.08 0.35 2.08 -0.63 -4.69 119.36 112.42 2kds n ILE 41 Ca 0.16 -0.17 -0.14 0.00 0.56 0.00 0.00 62.75 63.16 2kds n ILE 41 Cb 0.32 -0.77 -0.14 0.00 -0.75 0.00 0.00 39.64 38.30 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 0.00 1.45 0.00 1.39 1.35 0.20 -3.47 112.91 113.84 2kds h THR 42 Ca -0.16 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 62.62 2kds h THR 42 Cb 1.27 2.87 0.00 0.00 -1.73 0.00 0.00 68.15 70.56 2kds h THR 42 CO -0.02 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 2kds n GLY 43 N 1.52 1.30 3.69 5.82 0.00 -0.27 -4.23 105.19 113.02 2kds n GLY 43 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.30 4.87 0.00 1.61 -7.23 -1.26 -4.74 120.40 111.35 2kds s VAL 44 Ca 0.00 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2kds s VAL 44 Cb 0.00 -3.16 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2kds s VAL 44 CO 0.00 0.51 0.00 0.29 -0.31 0.00 0.00 175.10 175.59 2kds n LYS 45 N 3.05 0.00 -3.68 4.82 5.02 -1.26 -2.90 118.16 123.21 2kds n LYS 45 Ca -0.17 0.06 -0.11 0.00 -2.02 0.00 0.00 58.31 56.06 2kds n LYS 45 Cb 0.53 -0.43 -0.11 0.00 -0.02 0.00 0.00 35.03 35.00 2kds n LYS 45 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kds s ARG 46 N -0.16 0.28 0.22 1.97 3.52 -1.26 -2.31 118.95 121.21 2kds s ARG 46 Ca 0.00 0.81 -0.17 0.00 -0.13 0.00 0.00 55.73 56.24 2kds s ARG 46 Cb 0.00 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2kds s ARG 46 CO 0.00 -0.22 0.54 -0.98 -0.81 0.00 0.00 175.30 173.84 2kds s ARG 47 N 1.98 1.47 -0.05 5.12 1.70 -0.08 -4.97 118.95 124.12 2kds s ARG 47 Ca -0.05 -0.95 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 2kds s ARG 47 Cb -0.11 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 2kds s ARG 47 CO -0.11 -0.63 -0.05 1.03 -1.08 0.00 0.00 175.30 174.46 2kds s ARG 48 N -3.91 2.74 0.01 3.89 0.52 -1.26 -0.42 118.95 120.53 2kds s ARG 48 Ca 0.12 -0.57 0.03 0.00 -0.52 0.00 0.00 55.73 54.78 2kds s ARG 48 Cb -0.02 -2.61 -0.01 0.00 0.52 0.00 0.00 34.95 32.83 2kds s ARG 48 CO 0.01 0.65 -0.09 0.54 0.02 0.00 0.00 175.30 176.44 2kds s VAL 49 N -0.89 0.66 0.63 3.52 0.11 -0.90 -4.94 120.40 118.59 2kds s VAL 49 Ca 0.14 -0.57 -0.06 0.00 -2.93 0.00 0.00 61.98 58.57 2kds s VAL 49 Cb -0.11 -0.59 0.03 0.00 -1.53 0.00 0.00 36.38 34.18 2kds s VAL 49 CO 0.04 0.04 0.94 0.54 -3.33 0.00 0.00 175.10 173.32 2kds s ASN 50 N -0.59 5.24 0.57 3.54 4.22 -1.26 -2.15 114.94 124.51 2kds s ASN 50 Ca 0.00 0.55 0.26 0.00 -2.14 0.00 0.00 52.86 51.53 2kds s ASN 50 Cb -0.05 -1.39 1.66 0.00 1.28 0.00 0.00 41.25 42.74 2kds s ASN 50 CO 0.00 -1.29 2.20 0.40 -2.04 0.00 0.00 177.10 176.37 2kds h ILE 51 N -0.33 0.64 -0.65 0.54 2.04 -1.70 -2.71 117.51 115.34 2kds h ILE 51 Ca -0.45 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.55 2kds h ILE 51 Cb 1.28 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.30 2kds h ILE 51 CO 0.60 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 179.12 2kds h LEU 52 N 0.00 0.29 -7.32 1.44 3.38 -1.93 -3.18 115.31 107.98 2kds h LEU 52 Ca 0.02 0.01 -0.64 0.00 0.09 0.00 0.00 57.88 57.37 2kds h LEU 52 Cb 0.10 -0.05 -0.41 0.00 0.09 0.00 0.00 40.66 40.39 2kds h LEU 52 CO -0.00 0.16 -0.65 -1.00 0.09 0.00 0.00 178.44 177.03 2kds s HIS 53 N -5.30 2.98 -0.09 1.13 3.76 -1.02 -5.07 115.29 111.68 2kds s HIS 53 Ca -0.07 -3.03 0.04 0.00 -0.15 0.00 0.00 55.06 51.84 2kds s HIS 53 Cb 0.20 -2.66 -0.01 0.00 1.11 0.00 0.00 32.58 31.23 2kds s HIS 53 CO 0.75 -0.76 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.50 2kds s LEU 54 N -0.13 2.23 -0.43 0.89 2.96 -1.21 -4.75 118.68 118.25 2kds s LEU 54 Ca 0.17 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.61 2kds s LEU 54 Cb -0.25 -1.44 0.14 0.00 0.50 0.00 0.00 46.19 45.13 2kds s LEU 54 CO -0.00 0.19 0.24 -0.70 -1.32 0.00 0.00 176.35 174.76 2kds s GLU 55 N 0.16 1.18 0.28 1.98 2.12 -1.26 -4.98 118.70 118.18 2kds s GLU 55 Ca -0.12 -1.92 -0.13 0.00 0.36 0.00 0.00 54.97 53.16 2kds s GLU 55 Cb -0.16 -2.17 -0.08 0.00 0.26 0.00 0.00 34.13 31.97 2kds s GLU 55 CO 0.07 -1.17 0.66 -1.25 -0.54 0.00 0.00 175.26 173.02 2kds s PRO 56 N 0.44 3.92 0.35 4.30 0.04 -1.26 -2.06 135.00 140.73 2kds s PRO 56 Ca 0.18 0.51 0.08 0.00 0.04 0.00 0.00 61.00 61.81 2kds s PRO 56 Cb -0.23 -2.52 -0.04 0.00 0.04 0.00 0.00 34.50 31.74 2kds s PRO 56 CO -0.00 0.23 0.19 0.95 0.04 0.00 0.00 177.00 178.40 2kds s THR 57 N -1.91 3.04 -1.51 1.26 -4.23 -0.55 -4.91 115.64 106.82 2kds s THR 57 Ca 0.51 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.45 2kds s THR 57 Cb -0.11 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.83 2kds s THR 57 CO 0.19 -0.15 0.92 0.47 -0.54 0.00 0.00 174.62 175.50 2kds n ASP 58 N -1.23 1.12 -4.68 3.99 8.00 -1.26 -4.68 116.55 117.81 2kds n ASP 58 Ca -0.02 -2.06 -0.39 0.00 0.71 0.00 0.00 54.79 53.03 2kds n ASP 58 Cb 0.61 -0.27 -0.07 0.00 -0.02 0.00 0.00 41.12 41.37 2kds n ASP 58 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kds s LYS 59 N -1.60 4.23 -0.07 -1.24 1.02 -1.26 -5.03 119.74 115.78 2kds s LYS 59 Ca 0.08 0.43 -0.01 0.00 0.02 0.00 0.00 55.97 56.49 2kds s LYS 59 Cb 0.05 -3.53 0.03 0.00 -0.52 0.00 0.00 37.83 33.86 2kds s LYS 59 CO 0.04 -0.08 -0.01 0.21 -0.92 0.00 0.00 175.35 174.59 2kds s LYS 60 N 1.40 0.72 0.09 1.68 2.20 -1.26 -3.61 119.74 120.96 2kds s LYS 60 Ca 0.25 0.03 0.05 0.00 -0.36 0.00 0.00 55.97 55.94 2kds s LYS 60 Cb -0.15 -0.98 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 2kds s LYS 60 CO 0.10 -0.25 -0.12 -1.50 -0.36 0.00 0.00 175.35 173.22 2kds s ILE 61 N 1.70 1.05 0.03 5.43 2.07 0.69 -5.00 121.20 127.17 2kds s ILE 61 Ca 0.01 -1.50 -0.26 0.00 -1.41 0.00 0.00 60.65 57.49 2kds s ILE 61 Cb -0.13 -1.24 -0.05 0.00 0.13 0.00 0.00 42.46 41.18 2kds s ILE 61 CO -0.04 -0.40 0.81 1.51 -1.91 0.00 0.00 174.94 174.91 2kds s ASP 62 N -2.14 7.24 0.20 4.50 1.47 -1.26 -4.38 116.67 122.30 2kds s ASP 62 Ca 0.02 1.48 0.09 0.00 1.18 0.00 0.00 52.55 55.32 2kds s ASP 62 Cb -0.06 -2.49 -0.05 0.00 -0.34 0.00 0.00 42.92 39.98 2kds s ASP 62 CO 0.01 -0.06 -0.16 0.27 0.68 0.00 0.00 175.17 175.91 2kds s ILE 63 N 0.26 1.86 0.06 2.11 -4.36 -1.26 -5.06 121.20 114.81 2kds s ILE 63 Ca 0.41 -2.16 -0.23 0.00 -0.26 0.00 0.00 60.65 58.42 2kds s ILE 63 Cb -0.20 -2.02 -0.14 0.00 1.25 0.00 0.00 42.46 41.34 2kds s ILE 63 CO 0.24 -0.49 1.55 -0.61 0.24 0.00 0.00 174.94 175.86 2kds h GLN 64 N 2.70 0.12 0.00 0.37 5.75 -1.98 -3.49 115.11 118.59 2kds h GLN 64 Ca -0.39 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.08 2kds h GLN 64 Cb 1.22 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.76 2kds h GLN 64 CO 0.59 0.30 0.00 1.17 -2.65 0.00 0.00 178.83 178.24 2kds n LYS 65 N -4.91 0.00 -0.37 1.69 4.81 -1.26 -4.89 118.16 113.23 2kds n LYS 65 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 2kds n LYS 65 Cb 0.14 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.19 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 0.77 3.63 3.14 0.00 -1.24 -4.94 105.19 107.35 2kds n GLY 66 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.88 -0.08 -0.72 4.61 0.00 -1.26 -4.98 120.51 117.20 2kds n ALA 67 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 2kds n ALA 67 Cb 0.00 -2.14 0.22 0.00 0.00 0.00 0.00 19.45 17.53 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 -1.63 1.71 0.17 0.00 1.04 -1.26 -4.47 113.70 109.26 2kds s SER 68 Ca 0.74 1.56 -0.14 0.00 0.48 0.00 0.00 55.95 58.59 2kds s SER 68 Cb -0.35 -2.26 0.09 0.00 0.10 0.00 0.00 66.02 63.59 2kds s SER 68 CO 0.49 -3.76 1.80 0.44 0.98 0.00 0.00 173.24 173.20 2kds h ASP 69 N -2.32 0.44 -0.92 7.02 3.32 -1.98 0.66 116.42 122.65 2kds h ASP 69 Ca -0.57 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 56.48 2kds h ASP 69 Cb 1.32 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.74 2kds h ASP 69 CO 0.51 0.31 0.52 -0.08 -1.72 0.00 0.00 179.24 178.78 2kds h GLU 70 N 0.55 1.26 -0.43 3.56 4.81 -1.99 0.46 114.58 122.81 2kds h GLU 70 Ca 0.19 -0.14 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 2kds h GLU 70 Cb 0.03 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.14 2kds h GLU 70 CO -0.10 0.91 -0.00 0.93 -0.73 0.00 0.00 179.01 180.02 2kds h GLU 71 N 1.28 0.69 -0.49 1.92 5.08 -1.69 -1.16 114.58 120.20 2kds h GLU 71 Ca 0.32 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 2kds h GLU 71 Cb -0.00 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2kds h GLU 71 CO -0.06 0.71 0.11 0.28 -1.00 0.00 0.00 179.01 179.05 2kds h VAL 72 N 0.65 1.24 -0.84 3.13 2.07 0.28 -0.71 116.25 122.08 2kds h VAL 72 Ca 0.13 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.79 2kds h VAL 72 Cb 0.41 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2kds h VAL 72 CO 0.02 0.31 0.56 0.11 0.02 0.00 0.00 177.57 178.59 2kds h LYS 73 N 0.68 1.10 -0.68 1.57 1.57 0.39 0.24 116.57 121.44 2kds h LYS 73 Ca 0.15 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2kds h LYS 73 Cb 0.35 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.37 2kds h LYS 73 CO 0.00 0.73 0.44 -0.22 -0.57 0.00 0.00 179.45 179.83 2kds h LYS 74 N 1.14 0.85 -0.37 3.15 3.64 -0.69 -0.40 116.57 123.89 2kds h LYS 74 Ca 0.31 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2kds h LYS 74 Cb -0.12 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 2kds h LYS 74 CO -0.07 0.56 0.13 0.87 -2.27 0.00 0.00 179.45 178.67 2kds h LYS 75 N 0.88 0.52 -0.91 1.90 1.57 0.44 -2.20 116.57 118.76 2kds h LYS 75 Ca 0.26 -0.07 0.09 0.00 -1.87 0.00 0.00 60.65 59.06 2kds h LYS 75 Cb -0.03 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.10 2kds h LYS 75 CO -0.08 0.45 0.56 1.25 -0.57 0.00 0.00 179.45 181.06 2kds h LEU 76 N 0.52 0.84 -1.47 2.94 5.85 0.12 0.24 115.31 124.34 2kds h LEU 76 Ca 0.13 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2kds h LEU 76 Cb 0.14 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2kds h LEU 76 CO -0.01 0.49 0.15 -0.33 -0.34 0.00 0.00 178.44 178.40 2kds h GLU 77 N 0.95 0.50 -0.86 1.25 5.08 -1.20 0.65 114.58 120.96 2kds h GLU 77 Ca 0.43 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.75 2kds h GLU 77 Cb 0.33 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 2kds h GLU 77 CO -0.23 0.41 0.57 0.93 -1.00 0.00 0.00 179.01 179.70 2kds h GLU 78 N 0.50 1.10 0.00 2.33 5.08 -0.48 1.30 114.58 124.42 2kds h GLU 78 Ca 0.13 -0.07 -0.08 0.00 -1.00 0.00 0.00 59.36 58.34 2kds h GLU 78 Cb 0.10 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 2kds h GLU 78 CO -0.01 0.73 -0.39 0.77 -1.00 0.00 0.00 179.01 179.10 2kds h SER 79 N 1.14 0.00 -5.19 1.42 0.02 -0.19 -3.46 113.55 107.29 2kds h SER 79 Ca 0.32 0.00 -0.39 0.00 -0.84 0.00 0.00 61.79 60.88 2kds h SER 79 Cb -0.08 0.00 0.11 0.00 0.14 0.00 0.00 62.40 62.56 2kds h SER 79 CO -0.08 0.39 -0.64 0.59 -1.14 0.00 0.00 176.83 175.96 2kds n ASN 80 N -3.98 -6.20 0.00 3.07 5.03 0.45 -4.88 115.26 108.75 2kds n ASN 80 Ca -0.02 -0.43 0.11 0.00 0.87 0.00 0.00 54.58 55.11 2kds n ASN 80 Cb 0.43 -4.90 -0.03 0.00 -1.02 0.00 0.00 39.78 34.27 2kds n ASN 80 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2kds n LEU 81 N -4.53 0.74 -0.36 3.41 7.99 -1.13 -3.10 117.00 120.03 2kds n LEU 81 Ca -0.04 -0.27 0.04 0.00 -0.01 0.00 0.00 56.01 55.73 2kds n LEU 81 Cb 0.58 -0.07 0.20 0.00 -0.11 0.00 0.00 43.42 44.02 2kds n LEU 81 CO 0.57 0.16 1.26 0.74 -1.51 0.00 0.00 177.39 178.61 2kds h THR 82 N 0.00 1.06 0.00 -5.08 2.02 -1.90 -3.41 112.91 105.61 2kds h THR 82 Ca 0.00 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.79 2kds h THR 82 Cb 0.59 -0.17 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 2kds h THR 82 CO 0.00 0.21 0.00 1.21 0.37 0.00 0.00 175.52 177.31 2kds n GLU 83 N -4.51 0.15 -0.09 6.66 2.13 -1.26 -4.83 120.64 118.88 2kds n GLU 83 Ca 0.16 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.90 2kds n GLU 83 Cb 0.21 -0.01 -0.00 0.00 0.27 0.00 0.00 31.44 31.91 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 0.32 0.00 4.31 3.20 -1.76 -3.41 116.97 119.62 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 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.17 2kds h TYR 84 CO 0.00 0.18 0.00 -0.12 -1.64 0.00 0.00 178.16 176.58 2kds n MET 85 N -4.94 0.00 -3.24 1.82 1.56 -1.25 -4.90 117.12 106.17 2kds n MET 85 Ca -0.00 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.21 2kds n MET 85 Cb 0.07 0.00 0.05 0.00 2.15 0.00 0.00 33.22 35.49 2kds n MET 85 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 175.97 176.87 2kds n LYS 86 N 0.00 -6.06 -0.09 2.12 5.02 -1.26 -4.89 118.16 113.00 2kds n LYS 86 Ca 0.00 0.84 -0.08 0.00 -2.02 0.00 0.00 58.31 57.05 2kds n LYS 86 Cb 0.00 -5.70 0.09 0.00 -0.02 0.00 0.00 35.03 29.40 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 -1.92 0.79 -0.26 1.97 5.08 -1.95 -3.49 114.58 114.80 2kds h GLU 87 Ca -0.53 -0.31 0.00 0.00 -1.00 0.00 0.00 59.36 57.52 2kds h GLU 87 Cb 1.35 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2kds h GLU 87 CO 0.54 0.93 0.00 1.63 -1.00 0.00 0.00 179.01 181.11 2kds n LYS 88 N -4.12 0.00 0.26 2.33 5.02 -1.26 -4.74 118.16 115.64 2kds n LYS 88 Ca 0.00 0.13 0.09 0.00 -2.02 0.00 0.00 58.31 56.51 2kds n LYS 88 Cb 0.42 0.00 0.65 0.00 -0.02 0.00 0.00 35.03 36.09 2kds n LYS 88 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2kds h ILE 89 N 0.00 0.93 -3.53 -0.18 2.10 -1.96 -3.37 117.51 111.51 2kds h ILE 89 Ca 0.00 -0.21 -0.62 0.00 1.08 0.00 0.00 64.86 65.11 2kds h ILE 89 Cb 0.00 1.11 -0.16 0.00 -1.09 0.00 0.00 36.82 36.69 2kds h ILE 89 CO 0.00 0.06 -0.53 -0.54 -1.08 0.00 0.00 178.15 176.06 2kds s LYS 90 N -4.83 4.01 -0.10 2.19 1.02 -1.26 -5.08 119.74 115.70 2kds s LYS 90 Ca -0.05 -0.31 0.03 0.00 0.02 0.00 0.00 55.97 55.67 2kds s LYS 90 Cb 0.16 -3.45 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2kds s LYS 90 CO 0.65 0.08 -0.20 0.42 -0.92 0.00 0.00 175.35 175.38 2kds s ILE 91 N 0.97 2.46 0.71 2.17 1.01 -1.26 -5.10 121.20 122.15 2kds s ILE 91 Ca 0.06 -0.89 -0.16 0.00 0.00 0.00 0.00 60.65 59.66 2kds s ILE 91 Cb -0.13 -1.97 0.03 0.00 0.01 0.00 0.00 42.46 40.40 2kds s ILE 91 CO 0.03 0.55 1.26 -0.13 0.00 0.00 0.00 174.94 176.66 2kds s ARG 92 N 0.17 2.19 0.14 2.79 1.81 -1.26 -4.91 118.95 119.87 2kds s ARG 92 Ca -0.11 1.96 -0.18 0.00 -1.72 0.00 0.00 55.73 55.67 2kds s ARG 92 Cb -0.16 -1.82 0.00 0.00 -0.45 0.00 0.00 34.95 32.53 2kds s ARG 92 CO 0.06 -1.85 1.74 1.98 -0.68 0.00 0.00 175.30 176.55 2kds h MET 93 N -0.01 0.15 0.00 3.54 1.85 -2.03 -3.39 114.93 115.05 2kds h MET 93 Ca -0.49 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.59 2kds h MET 93 Cb 1.32 -0.03 0.00 0.00 0.43 0.00 0.00 31.60 33.32 2kds h MET 93 CO 0.50 0.10 0.00 -0.35 -0.40 0.00 0.00 176.91 176.76 2kds n PRO 94 N -5.08 0.00 -4.04 0.39 -0.05 -1.26 -5.06 135.00 119.90 2kds n PRO 94 Ca -0.01 0.21 -0.08 0.00 -0.05 0.00 0.00 63.50 63.56 2kds n PRO 94 Cb 0.11 -0.64 -0.09 0.00 -0.05 0.00 0.00 33.50 32.83 2kds n PRO 94 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 175.50 175.37 2kds s THR 95 N -0.65 0.15 -2.52 0.52 -1.32 -1.26 -5.24 115.64 105.33 2kds s THR 95 Ca 0.00 -1.65 0.28 0.00 -1.21 0.00 0.00 61.69 59.11 2kds s THR 95 Cb 0.00 -1.66 0.54 0.00 -1.51 0.00 0.00 72.50 69.87 2kds s THR 95 CO 0.00 -0.70 1.73 0.18 -2.21 0.00 0.00 174.62 173.62