#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ca5 s LYS 3 N 0.00 1.16 -0.11 7.34 1.02 -1.26 -1.09 119.74 126.80 1ca5 s LYS 3 Ca 0.00 -1.26 0.03 0.00 0.02 0.00 0.00 55.97 54.77 1ca5 s LYS 3 Cb 0.00 -1.30 0.01 0.00 -0.52 0.00 0.00 37.83 36.01 1ca5 s LYS 3 CO 0.00 0.28 -0.21 0.14 -0.92 0.00 0.00 175.35 174.64 1ca5 s VAL 4 N -1.59 1.89 -0.13 3.17 -7.23 -0.46 -4.90 120.40 111.15 1ca5 s VAL 4 Ca 0.10 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.30 1ca5 s VAL 4 Cb -0.08 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.16 1ca5 s VAL 4 CO 0.05 0.52 0.09 -1.59 -0.31 0.00 0.00 175.10 173.86 1ca5 s LYS 5 N 0.55 3.50 0.28 4.82 -2.85 -1.25 -0.35 119.74 124.45 1ca5 s LYS 5 Ca -0.15 -0.25 -0.08 0.00 -1.00 0.00 0.00 55.97 54.50 1ca5 s LYS 5 Cb -0.17 -3.11 -0.00 0.00 -2.06 0.00 0.00 37.83 32.48 1ca5 s LYS 5 CO 0.05 0.61 0.44 -0.59 0.10 0.00 0.00 175.35 175.97 1ca5 s PHE 6 N -0.58 0.72 -0.13 1.78 -0.71 0.28 -4.93 117.98 114.41 1ca5 s PHE 6 Ca 0.11 -1.02 -0.02 0.00 -1.04 0.00 0.00 56.93 54.96 1ca5 s PHE 6 Cb -0.12 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.68 1ca5 s PHE 6 CO 0.02 -1.02 -0.05 0.21 -1.34 0.00 0.00 175.22 173.04 1ca5 s LYS 7 N -3.61 3.39 -0.30 1.99 2.20 -1.26 -1.50 119.74 120.65 1ca5 s LYS 7 Ca 0.27 -0.53 -0.15 0.00 -0.36 0.00 0.00 55.97 55.20 1ca5 s LYS 7 Cb 0.00 -2.81 0.16 0.00 -1.51 0.00 0.00 37.83 33.67 1ca5 s LYS 7 CO 0.14 0.38 0.98 -0.47 -0.36 0.00 0.00 175.35 176.01 1ca5 s TYR 8 N -0.01 -0.65 0.00 4.03 5.04 -1.26 -4.33 117.35 120.16 1ca5 s TYR 8 Ca 0.01 1.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.81 1ca5 s TYR 8 Cb -0.13 0.39 0.00 0.00 0.35 0.00 0.00 41.96 42.57 1ca5 s TYR 8 CO 0.03 -0.32 0.00 1.17 -1.34 0.00 0.00 175.55 175.08 1ca5 n LYS 9 N 4.59 0.00 0.00 4.97 4.81 -1.26 -4.22 118.16 127.04 1ca5 n LYS 9 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.32 1ca5 n LYS 9 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 1ca5 n LYS 9 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ca5 n GLY 10 N 0.00 0.14 0.00 3.14 0.00 -1.26 -4.97 105.19 102.24 1ca5 n GLY 10 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1ca5 n GLY 10 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ca5 n GLU 11 N 0.00 0.79 -1.33 1.61 -0.58 -1.26 -4.99 120.64 114.88 1ca5 n GLU 11 Ca 0.00 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 56.75 1ca5 n GLU 11 Cb 0.03 -1.18 -0.00 0.00 -0.57 0.00 0.00 31.44 29.72 1ca5 n GLU 11 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1ca5 n GLU 12 N -0.68 -3.47 -3.63 3.49 4.07 -1.26 -5.06 120.64 114.09 1ca5 n GLU 12 Ca 0.07 2.70 -0.12 0.00 -0.06 0.00 0.00 57.16 59.75 1ca5 n GLU 12 Cb 0.03 -3.40 -0.05 0.00 -0.06 0.00 0.00 31.44 27.96 1ca5 n GLU 12 CO 0.00 0.00 0.00 0.21 -0.06 0.00 0.00 177.13 177.28 1ca5 s LYS 13 N -5.17 1.00 -0.03 5.31 2.47 -0.57 -4.96 119.74 117.80 1ca5 s LYS 13 Ca 0.00 -0.49 -0.06 0.00 -1.56 0.00 0.00 55.97 53.86 1ca5 s LYS 13 Cb 0.00 0.45 0.01 0.00 -1.46 0.00 0.00 37.83 36.82 1ca5 s LYS 13 CO 0.00 -0.37 0.14 -1.21 0.16 0.00 0.00 175.35 174.08 1ca5 s GLU 14 N -3.03 0.32 -0.09 4.03 2.02 -1.25 0.98 118.70 121.67 1ca5 s GLU 14 Ca -0.02 -0.07 -0.09 0.00 0.02 0.00 0.00 54.97 54.82 1ca5 s GLU 14 Cb 0.00 0.14 0.02 0.00 0.10 0.00 0.00 34.13 34.40 1ca5 s GLU 14 CO -0.06 -0.06 0.26 0.54 0.02 0.00 0.00 175.26 175.95 1ca5 s VAL 15 N -0.58 0.00 0.19 2.63 0.11 0.53 -4.92 120.40 118.35 1ca5 s VAL 15 Ca -0.07 -0.02 -0.30 0.00 -2.93 0.00 0.00 61.98 58.66 1ca5 s VAL 15 Cb -0.04 -0.37 -0.09 0.00 -1.53 0.00 0.00 36.38 34.35 1ca5 s VAL 15 CO 0.01 -0.01 1.34 -0.62 -3.33 0.00 0.00 175.10 172.49 1ca5 s ASP 16 N 0.09 6.85 0.33 3.54 2.15 -1.26 -1.35 116.67 127.02 1ca5 s ASP 16 Ca -0.00 2.42 0.23 0.00 0.43 0.00 0.00 52.55 55.63 1ca5 s ASP 16 Cb -0.02 -2.61 1.20 0.00 -0.30 0.00 0.00 42.92 41.20 1ca5 s ASP 16 CO 0.00 -0.58 1.72 0.71 -0.17 0.00 0.00 175.17 176.85 1ca5 h THR 17 N 3.83 0.00 0.00 1.71 1.35 -1.48 0.09 112.91 118.41 1ca5 h THR 17 Ca -0.44 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 1ca5 h THR 17 Cb 1.21 0.63 0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1ca5 h THR 17 CO 0.79 0.00 0.00 0.28 -0.25 0.00 0.00 175.52 176.34 1ca5 h SER 18 N 0.00 0.00 -0.48 5.36 0.02 -1.89 -2.95 113.55 113.60 1ca5 h SER 18 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ca5 h SER 18 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 1ca5 h SER 18 CO 0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 1ca5 n LYS 19 N -2.42 4.22 -3.54 3.45 5.02 0.02 -4.93 118.16 119.98 1ca5 n LYS 19 Ca 0.03 -3.05 -0.42 0.00 -2.02 0.00 0.00 58.31 52.86 1ca5 n LYS 19 Cb 0.32 -2.11 -0.10 0.00 -0.02 0.00 0.00 35.03 33.11 1ca5 n LYS 19 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 1ca5 s ILE 20 N -2.73 4.79 0.00 -0.18 1.01 -1.12 -2.41 121.20 120.56 1ca5 s ILE 20 Ca 0.50 -0.90 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1ca5 s ILE 20 Cb 0.39 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 39.13 1ca5 s ILE 20 CO 0.14 -0.33 0.45 0.29 0.00 0.00 0.00 174.94 175.49 1ca5 n LYS 21 N 5.05 0.00 -4.83 2.79 5.02 0.25 -4.89 118.16 121.56 1ca5 n LYS 21 Ca -0.11 0.30 -0.32 0.00 -2.02 0.00 0.00 58.31 56.15 1ca5 n LYS 21 Cb 0.46 -1.08 -0.13 0.00 -0.02 0.00 0.00 35.03 34.26 1ca5 n LYS 21 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 1ca5 s LYS 22 N -1.49 2.34 -0.01 1.97 0.00 -1.15 -4.94 119.74 116.45 1ca5 s LYS 22 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 55.97 55.21 1ca5 s LYS 22 Cb 0.00 -2.30 -0.01 0.00 0.00 0.00 0.00 37.83 35.52 1ca5 s LYS 22 CO 0.00 0.59 -0.14 0.08 0.00 0.00 0.00 175.35 175.88 1ca5 s VAL 23 N -0.80 1.13 0.20 1.79 1.01 -1.26 0.23 120.40 122.70 1ca5 s VAL 23 Ca 0.13 -0.61 -0.23 0.00 0.00 0.00 0.00 61.98 61.26 1ca5 s VAL 23 Cb -0.11 -0.95 0.05 0.00 0.00 0.00 0.00 36.38 35.38 1ca5 s VAL 23 CO 0.02 0.32 0.79 -1.66 0.00 0.00 0.00 175.10 174.57 1ca5 s TRP 24 N -0.33 -0.23 -0.23 5.22 -2.14 -0.18 -4.86 118.94 116.20 1ca5 s TRP 24 Ca 0.05 -0.12 -0.07 0.00 2.66 0.00 0.00 56.10 58.62 1ca5 s TRP 24 Cb -0.06 0.65 -0.03 0.00 -3.10 0.00 0.00 33.47 30.94 1ca5 s TRP 24 CO -0.01 -1.01 0.05 0.50 -2.66 0.00 0.00 176.95 173.83 1ca5 s ARG 25 N -3.64 3.70 -0.41 3.25 3.52 -1.26 -0.94 118.95 123.16 1ca5 s ARG 25 Ca 0.10 -0.47 -0.00 0.00 -0.13 0.00 0.00 55.73 55.23 1ca5 s ARG 25 Cb -0.04 -3.24 0.11 0.00 -1.56 0.00 0.00 34.95 30.22 1ca5 s ARG 25 CO 0.02 -0.06 0.17 0.08 -0.81 0.00 0.00 175.30 174.70 1ca5 s VAL 26 N 1.25 2.93 0.00 7.11 1.01 -0.37 -4.98 120.40 127.35 1ca5 s VAL 26 Ca 0.04 -2.29 0.00 0.00 0.00 0.00 0.00 61.98 59.73 1ca5 s VAL 26 Cb -0.15 -3.05 0.00 0.00 0.00 0.00 0.00 36.38 33.19 1ca5 s VAL 26 CO 0.03 -0.68 0.00 0.61 0.00 0.00 0.00 175.10 175.06 1ca5 n GLY 27 N 4.32 3.13 1.55 4.51 0.00 -1.26 -1.83 105.19 115.61 1ca5 n GLY 27 Ca 0.01 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.78 1ca5 n GLY 27 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ca5 n LYS 28 N 11.30 2.79 -4.32 1.61 5.02 -1.26 -4.99 118.16 128.31 1ca5 n LYS 28 Ca 0.00 -3.76 -0.20 0.00 -2.02 0.00 0.00 58.31 52.33 1ca5 n LYS 28 Cb 0.00 -2.05 -0.13 0.00 -0.02 0.00 0.00 35.03 32.84 1ca5 n LYS 28 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1ca5 s MET 29 N -3.48 0.95 -0.16 1.97 0.00 -0.76 -1.81 119.30 116.01 1ca5 s MET 29 Ca 0.48 -0.86 -0.05 0.00 0.00 0.00 0.00 55.69 55.25 1ca5 s MET 29 Cb 0.41 -0.99 -0.03 0.00 0.00 0.00 0.00 34.83 34.21 1ca5 s MET 29 CO 0.00 0.24 -0.01 0.08 0.00 0.00 0.00 175.02 175.33 1ca5 s VAL 30 N -1.00 4.16 0.02 10.11 1.01 -0.31 -1.23 120.40 133.16 1ca5 s VAL 30 Ca 0.01 -0.26 0.08 0.00 0.00 0.00 0.00 61.98 61.81 1ca5 s VAL 30 Cb -0.09 -2.84 -0.02 0.00 0.00 0.00 0.00 36.38 33.43 1ca5 s VAL 30 CO 0.02 0.49 -0.23 -0.55 0.00 0.00 0.00 175.10 174.82 1ca5 s SER 31 N 0.34 2.77 0.12 3.32 0.15 -0.12 -1.47 113.70 118.82 1ca5 s SER 31 Ca -0.02 -0.50 -0.14 0.00 0.70 0.00 0.00 55.95 56.00 1ca5 s SER 31 Cb -0.14 -0.27 0.02 0.00 -1.71 0.00 0.00 66.02 63.93 1ca5 s SER 31 CO 0.02 0.24 0.34 0.72 1.20 0.00 0.00 173.24 175.77 1ca5 s PHE 32 N -0.69 -0.05 0.14 3.44 -0.12 0.39 -1.01 117.98 120.08 1ca5 s PHE 32 Ca 0.09 -0.31 0.10 0.00 -0.05 0.00 0.00 56.93 56.77 1ca5 s PHE 32 Cb -0.09 0.16 -0.04 0.00 -0.63 0.00 0.00 43.02 42.42 1ca5 s PHE 32 CO 0.01 -0.68 -0.24 0.95 -0.05 0.00 0.00 175.22 175.21 1ca5 s THR 33 N -3.84 2.12 0.00 -4.49 -4.23 0.13 -0.74 115.64 104.59 1ca5 s THR 33 Ca 0.05 -1.79 0.00 0.00 -1.18 0.00 0.00 61.69 58.78 1ca5 s THR 33 Cb 0.03 -1.91 0.00 0.00 1.34 0.00 0.00 72.50 71.95 1ca5 s THR 33 CO -0.10 -0.03 0.00 0.00 -0.54 0.00 0.00 174.62 173.95 1ca5 n TYR 34 N 0.75 0.00 -0.49 3.99 4.11 0.35 -0.58 117.16 125.29 1ca5 n TYR 34 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.73 1ca5 n TYR 34 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 1ca5 n TYR 34 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1ca5 n ASP 35 N 0.00 0.00 0.08 9.48 -0.08 -1.01 -1.69 116.55 123.33 1ca5 n ASP 35 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1ca5 n ASP 35 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1ca5 n ASP 35 CO 0.00 0.00 0.00 -0.90 0.12 0.00 0.00 177.20 176.42 1ca5 n ASP 36 N -0.71 -1.42 0.28 1.67 5.75 -1.26 -4.87 116.55 115.99 1ca5 n ASP 36 Ca 0.00 0.50 0.15 0.00 -0.01 0.00 0.00 54.79 55.43 1ca5 n ASP 36 Cb 0.00 1.57 0.77 0.00 -1.03 0.00 0.00 41.12 42.44 1ca5 n ASP 36 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1ca5 h ASN 37 N 0.00 0.00 -1.16 -1.12 -0.00 -2.01 -3.44 115.58 107.85 1ca5 h ASN 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1ca5 h ASN 37 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1ca5 h ASN 37 CO 0.00 0.08 0.00 0.61 -0.00 0.00 0.00 177.43 178.12 1ca5 n GLY 38 N -0.48 7.53 2.99 9.14 0.00 -1.26 -5.15 105.19 117.97 1ca5 n GLY 38 Ca -0.01 -2.04 -0.28 0.00 0.00 0.00 0.00 46.02 43.69 1ca5 n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1ca5 n LYS 39 N -0.00 -4.12 -2.91 1.61 5.02 -1.26 -4.89 118.16 111.62 1ca5 n LYS 39 Ca 0.00 -1.42 -0.42 0.00 -2.02 0.00 0.00 58.31 54.45 1ca5 n LYS 39 Cb 0.00 -1.66 -0.05 0.00 -0.02 0.00 0.00 35.03 33.31 1ca5 n LYS 39 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1ca5 s THR 40 N -2.26 4.68 0.58 -0.18 2.01 -1.26 -4.32 115.64 114.89 1ca5 s THR 40 Ca 0.62 0.96 -0.14 0.00 0.31 0.00 0.00 61.69 63.44 1ca5 s THR 40 Cb -0.09 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 1ca5 s THR 40 CO 0.51 -0.49 1.02 -0.83 -0.69 0.00 0.00 174.62 174.14 1ca5 s GLY 41 N 1.87 1.92 0.01 4.40 0.00 -0.68 -4.85 107.32 109.99 1ca5 s GLY 41 Ca 0.33 0.15 0.03 0.00 0.00 0.00 0.00 44.72 45.23 1ca5 s GLY 41 CO 0.18 0.44 -0.09 0.50 0.00 0.00 0.00 173.10 174.13 1ca5 s ARG 42 N -4.49 0.64 0.29 2.90 0.52 -1.26 -0.50 118.95 117.05 1ca5 s ARG 42 Ca 0.59 -0.46 -0.20 0.00 -0.52 0.00 0.00 55.73 55.14 1ca5 s ARG 42 Cb -0.12 -0.58 0.02 0.00 0.52 0.00 0.00 34.95 34.79 1ca5 s ARG 42 CO 0.42 0.15 0.71 0.20 0.02 0.00 0.00 175.30 176.79 1ca5 s GLY 43 N -0.66 0.00 -0.03 -3.53 0.00 0.08 -4.85 107.32 98.33 1ca5 s GLY 43 Ca -0.00 -0.39 -0.29 0.00 0.00 0.00 0.00 44.72 44.03 1ca5 s GLY 43 CO 0.00 -0.15 0.64 0.00 0.00 0.00 0.00 173.10 173.59 1ca5 s ALA 44 N -3.76 -1.66 0.12 3.20 0.00 -1.26 -0.46 121.76 117.94 1ca5 s ALA 44 Ca 0.12 1.16 -0.04 0.00 0.00 0.00 0.00 51.96 53.20 1ca5 s ALA 44 Cb -0.06 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1ca5 s ALA 44 CO 0.08 -0.39 0.13 0.14 0.00 0.00 0.00 175.76 175.72 1ca5 s VAL 45 N -1.39 0.12 0.63 0.00 -7.23 -0.54 -4.25 120.40 107.73 1ca5 s VAL 45 Ca -0.10 -1.64 -0.19 0.00 -1.81 0.00 0.00 61.98 58.24 1ca5 s VAL 45 Cb -0.01 -1.80 -0.02 0.00 0.56 0.00 0.00 36.38 35.11 1ca5 s VAL 45 CO 0.08 -0.53 1.31 -0.44 -0.31 0.00 0.00 175.10 175.21 1ca5 s SER 46 N -2.98 4.70 0.42 4.85 0.01 -1.26 -1.16 113.70 118.28 1ca5 s SER 46 Ca 0.17 2.67 0.23 0.00 1.31 0.00 0.00 55.95 60.33 1ca5 s SER 46 Cb 0.06 -2.62 0.61 0.00 0.21 0.00 0.00 66.02 64.28 1ca5 s SER 46 CO -0.02 -1.94 1.69 -0.08 0.41 0.00 0.00 173.24 173.30 1ca5 h GLU 47 N 0.71 0.00 0.11 12.44 4.81 -1.68 -3.02 114.58 127.96 1ca5 h GLU 47 Ca -0.51 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.71 1ca5 h GLU 47 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 1ca5 h GLU 47 CO 0.54 0.18 -0.05 1.57 -0.73 0.00 0.00 179.01 180.52 1ca5 h LYS 48 N 0.00 -0.14 -0.92 1.92 2.10 -1.90 -3.31 116.57 114.32 1ca5 h LYS 48 Ca -0.00 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1ca5 h LYS 48 Cb 0.94 0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 1ca5 h LYS 48 CO 0.02 0.25 0.00 -0.25 -2.00 0.00 0.00 179.45 177.47 1ca5 n ASP 49 N -4.85 1.25 -4.80 7.07 8.00 -1.23 -4.86 116.55 117.14 1ca5 n ASP 49 Ca -0.06 -1.65 -0.38 0.00 0.71 0.00 0.00 54.79 53.41 1ca5 n ASP 49 Cb 0.23 -0.41 -0.06 0.00 -0.02 0.00 0.00 41.12 40.85 1ca5 n ASP 49 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ca5 s ALA 50 N -0.70 3.46 0.21 2.24 0.00 -1.14 -4.85 121.76 120.99 1ca5 s ALA 50 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.88 1ca5 s ALA 50 Cb 0.00 -2.84 -0.09 0.00 0.00 0.00 0.00 23.12 20.19 1ca5 s ALA 50 CO 0.00 0.33 1.37 -1.25 0.00 0.00 0.00 175.76 176.20 1ca5 s PRO 51 N -1.45 4.34 0.36 0.00 0.04 -1.26 -4.87 135.00 132.16 1ca5 s PRO 51 Ca 0.37 2.15 0.22 0.00 0.04 0.00 0.00 61.00 63.78 1ca5 s PRO 51 Cb -0.20 -3.17 1.28 0.00 0.04 0.00 0.00 34.50 32.46 1ca5 s PRO 51 CO 0.23 -0.33 1.46 1.17 0.04 0.00 0.00 177.00 179.57 1ca5 n LYS 52 N 2.63 -0.05 -0.02 4.56 3.00 -1.26 -0.52 118.16 126.50 1ca5 n LYS 52 Ca 0.07 1.25 -0.10 0.00 -0.00 0.00 0.00 58.31 59.53 1ca5 n LYS 52 Cb 0.42 -2.30 -0.04 0.00 0.00 0.00 0.00 35.03 33.11 1ca5 n LYS 52 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1ca5 h GLU 53 N 0.00 0.12 -0.78 1.64 4.57 -1.99 -0.12 114.58 118.03 1ca5 h GLU 53 Ca 0.79 -0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.99 1ca5 h GLU 53 Cb 2.21 -0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 30.73 1ca5 h GLU 53 CO -0.65 0.08 0.51 1.25 -1.18 0.00 0.00 179.01 179.02 1ca5 h LEU 54 N 0.13 0.87 -1.51 1.64 5.85 -1.18 0.10 115.31 121.21 1ca5 h LEU 54 Ca 0.06 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 1ca5 h LEU 54 Cb 0.02 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 1ca5 h LEU 54 CO -0.05 0.61 0.21 -0.07 -0.34 0.00 0.00 178.44 178.80 1ca5 h LEU 55 N 1.02 0.48 -0.84 2.25 4.07 -1.25 0.30 115.31 121.34 1ca5 h LEU 55 Ca 0.30 -0.03 -0.10 0.00 0.08 0.00 0.00 57.88 58.13 1ca5 h LEU 55 Cb -0.06 -0.12 -0.02 0.00 1.08 0.00 0.00 40.66 41.54 1ca5 h LEU 55 CO -0.08 0.40 -0.18 0.44 -1.08 0.00 0.00 178.44 177.94 1ca5 h ASP 56 N 0.55 0.67 0.21 -0.43 3.32 0.10 0.05 116.42 120.90 1ca5 h ASP 56 Ca 0.14 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 1ca5 h ASP 56 Cb 0.03 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.39 1ca5 h ASP 56 CO -0.02 0.85 -0.66 0.24 -1.72 0.00 0.00 179.24 177.93 1ca5 h MET 57 N 0.60 0.42 -0.12 3.56 2.86 0.47 -2.00 114.93 120.72 1ca5 h MET 57 Ca 0.09 -0.31 -0.03 0.00 -2.06 0.00 0.00 59.70 57.40 1ca5 h MET 57 Cb 0.64 0.06 -0.00 0.00 0.06 0.00 0.00 31.60 32.35 1ca5 h MET 57 CO 0.04 0.94 -0.02 1.25 1.06 0.00 0.00 176.91 180.18 1ca5 h LEU 58 N 0.30 0.23 -1.64 1.22 5.85 -0.10 -1.45 115.31 119.72 1ca5 h LEU 58 Ca -0.02 -0.35 0.03 0.00 0.84 0.00 0.00 57.88 58.39 1ca5 h LEU 58 Cb 1.22 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 1ca5 h LEU 58 CO 0.11 0.53 0.29 0.00 -0.34 0.00 0.00 178.44 179.04 1ca5 h ALA 59 N 0.71 1.83 -0.14 1.25 0.00 -0.99 0.35 119.26 122.26 1ca5 h ALA 59 Ca 0.03 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1ca5 h ALA 59 Cb 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1ca5 h ALA 59 CO 0.01 0.11 -0.02 -0.09 0.00 0.00 0.00 179.25 179.26 1ca5 h ARG 60 N 0.46 0.27 0.00 0.00 2.43 -1.12 -3.03 114.38 113.39 1ca5 h ARG 60 Ca 0.18 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1ca5 h ARG 60 Cb 0.14 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.67 1ca5 h ARG 60 CO -0.04 0.53 -0.05 0.00 -1.51 0.00 0.00 179.97 178.90 1ca5 h ALA 61 N 0.73 1.02 -0.00 2.80 0.00 0.13 -2.89 119.26 121.05 1ca5 h ALA 61 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ca5 h ALA 61 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ca5 h ALA 61 CO 0.01 0.06 -0.00 0.39 0.00 0.00 0.00 179.25 179.71 1ca5 n GLU 62 N -3.17 0.09 0.00 0.00 -0.58 0.10 -3.48 120.64 113.60 1ca5 n GLU 62 Ca 0.00 -0.00 0.05 0.00 -0.42 0.00 0.00 57.16 56.79 1ca5 n GLU 62 Cb 0.31 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.65 1ca5 n GLU 62 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1ca5 n ARG 63 N -1.46 3.05 -1.75 3.49 1.74 -1.10 -4.99 116.66 115.65 1ca5 n ARG 63 Ca 0.08 -0.29 -0.42 0.00 -0.77 0.00 0.00 57.85 56.46 1ca5 n ARG 63 Cb 0.32 -1.00 -0.01 0.00 -1.02 0.00 0.00 32.46 30.75 1ca5 n ARG 63 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1ca5 n GLU 64 N -0.76 2.62 -2.16 5.56 0.28 -1.21 -4.88 120.64 120.09 1ca5 n GLU 64 Ca 0.03 0.93 -0.42 0.00 -0.16 0.00 0.00 57.16 57.53 1ca5 n GLU 64 Cb 0.17 -2.67 -0.03 0.00 1.43 0.00 0.00 31.44 30.35 1ca5 n GLU 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1ca5 s LYS 65 N -1.26 4.29 0.00 3.44 3.01 -1.26 -5.08 119.74 122.88 1ca5 s LYS 65 Ca 0.59 2.07 0.00 0.00 -1.01 0.00 0.00 55.97 57.62 1ca5 s LYS 65 Cb -0.50 -3.40 0.00 0.00 -1.01 0.00 0.00 37.83 32.92 1ca5 s LYS 65 CO 0.56 -0.52 0.00 0.36 0.51 0.00 0.00 175.35 176.26