#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i55 n GLN 2 N 0.00 0.00 0.00 3.17 1.13 -1.26 -4.50 117.38 115.92 3i55 n GLN 2 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 3i55 n GLN 2 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 3i55 n GLN 2 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 3i55 n MET 3 N 0.00 0.00 -1.73 -1.09 1.56 -0.99 -4.59 117.12 110.28 3i55 n MET 3 Ca 0.00 0.00 -0.42 0.00 -0.27 0.00 0.00 57.70 57.01 3i55 n MET 3 Cb 0.00 0.00 -0.03 0.00 2.15 0.00 0.00 33.22 35.34 3i55 n MET 3 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 3i55 s PRO 4 N 0.00 4.05 0.40 2.12 0.04 -1.26 -2.40 135.00 137.95 3i55 s PRO 4 Ca 0.00 2.47 0.22 0.00 0.04 0.00 0.00 61.00 63.73 3i55 s PRO 4 Cb 0.00 -4.15 1.22 0.00 0.04 0.00 0.00 34.50 31.61 3i55 s PRO 4 CO 0.00 -1.04 1.70 -0.09 0.04 0.00 0.00 177.00 177.61 3i55 h ARG 5 N 10.80 0.27 -2.33 4.56 9.65 -1.77 -3.33 114.38 132.23 3i55 h ARG 5 Ca -0.47 -0.02 -0.45 0.00 -1.10 0.00 0.00 59.98 57.95 3i55 h ARG 5 Cb 1.23 -0.06 -0.35 0.00 -1.39 0.00 0.00 29.97 29.39 3i55 h ARG 5 CO 0.95 0.18 -0.74 1.03 2.80 0.00 0.00 179.97 184.18 3i55 s ARG 6 N -5.45 0.45 0.14 0.20 0.52 -1.26 -3.24 118.95 110.32 3i55 s ARG 6 Ca -0.09 -0.76 0.05 0.00 -0.52 0.00 0.00 55.73 54.41 3i55 s ARG 6 Cb 0.28 -0.95 -0.04 0.00 0.52 0.00 0.00 34.95 34.75 3i55 s ARG 6 CO 0.80 -1.13 0.07 -0.59 0.02 0.00 0.00 175.30 174.48 3i55 s PHE 7 N 1.67 3.06 -0.46 -0.53 -0.12 -1.18 -4.91 117.98 115.50 3i55 s PHE 7 Ca 0.14 -0.03 -0.27 0.00 -0.05 0.00 0.00 56.93 56.72 3i55 s PHE 7 Cb -0.17 -1.50 0.03 0.00 -0.63 0.00 0.00 43.02 40.74 3i55 s PHE 7 CO -0.15 0.51 0.99 1.21 -0.05 0.00 0.00 175.22 177.73 3i55 s ASN 8 N -2.81 6.55 0.28 1.98 2.47 -1.26 -2.12 114.94 120.02 3i55 s ASN 8 Ca 0.29 0.25 0.01 0.00 0.42 0.00 0.00 52.86 53.83 3i55 s ASN 8 Cb -0.11 -2.48 -0.03 0.00 -1.45 0.00 0.00 41.25 37.19 3i55 s ASN 8 CO 0.21 -1.11 0.28 0.28 -3.72 0.00 0.00 177.10 173.04 3i55 s THR 9 N 3.97 0.00 0.77 -5.21 -1.32 -1.19 -5.01 115.64 107.64 3i55 s THR 9 Ca 0.41 -1.88 -0.04 0.00 -1.21 0.00 0.00 61.69 58.97 3i55 s THR 9 Cb -0.09 -2.50 0.16 0.00 -1.51 0.00 0.00 72.50 68.56 3i55 s THR 9 CO 0.28 0.00 1.05 0.00 -2.21 0.00 0.00 174.62 173.74 3i55 n TYR 10 N -0.47 -3.18 -3.63 9.09 9.36 -1.26 -3.63 117.16 123.43 3i55 n TYR 10 Ca 0.04 -1.60 -0.11 0.00 3.32 0.00 0.00 57.90 59.55 3i55 n TYR 10 Cb 0.63 -0.78 -0.07 0.00 -0.63 0.00 0.00 39.34 38.49 3i55 n TYR 10 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3i55 n PRO 12 N 2.33 0.75 0.00 0.00 -0.04 -1.26 -4.32 135.00 132.46 3i55 n PRO 12 Ca -0.13 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 3i55 n PRO 12 Cb 0.56 -1.78 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 3i55 n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i55 n HIS 13 N 3.17 0.00 0.14 0.54 8.25 -1.26 -4.98 115.22 121.08 3i55 n HIS 13 Ca 0.16 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.63 3i55 n HIS 13 Cb 0.25 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.39 3i55 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3i55 n ASN 15 N -0.73 -0.39 -0.43 0.00 5.03 -1.26 -4.90 115.26 112.59 3i55 n ASN 15 Ca 0.01 -1.06 0.00 0.00 0.87 0.00 0.00 54.58 54.39 3i55 n ASN 15 Cb 0.00 -2.72 0.00 0.00 -1.02 0.00 0.00 39.78 36.04 3i55 n ASN 15 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3i55 n GLU 16 N -4.43 0.00 -4.03 3.52 0.28 -1.26 -5.14 120.64 109.57 3i55 n GLU 16 Ca -0.27 0.00 -0.23 0.00 -0.16 0.00 0.00 57.16 56.50 3i55 n GLU 16 Cb 0.67 0.00 -0.17 0.00 1.43 0.00 0.00 31.44 33.37 3i55 n GLU 16 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3i55 s HIS 17 N -4.72 0.93 0.00 -1.84 3.76 -1.26 -4.45 115.29 107.70 3i55 s HIS 17 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 3i55 s HIS 17 Cb 0.00 -0.85 0.00 0.00 1.11 0.00 0.00 32.58 32.84 3i55 s HIS 17 CO 0.00 -0.30 0.00 1.04 -0.85 0.00 0.00 174.74 174.63 3i55 n GLN 18 N 4.54 0.82 -4.29 1.40 6.02 -1.24 -5.02 117.38 119.61 3i55 n GLN 18 Ca -0.17 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.48 3i55 n GLN 18 Cb 0.50 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.62 3i55 n GLN 18 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 3i55 s GLU 19 N 2.37 3.30 -0.19 -1.09 2.12 -1.26 -3.20 118.70 120.75 3i55 s GLU 19 Ca 0.00 -0.69 -0.04 0.00 0.36 0.00 0.00 54.97 54.60 3i55 s GLU 19 Cb 0.00 -2.77 -0.02 0.00 0.26 0.00 0.00 34.13 31.60 3i55 s GLU 19 CO 0.00 -0.04 -0.04 -1.01 -0.54 0.00 0.00 175.26 173.63 3i55 s HIS 20 N 1.01 2.97 0.00 5.30 3.76 -0.90 -1.98 115.29 125.46 3i55 s HIS 20 Ca -0.01 -0.65 0.00 0.00 -0.15 0.00 0.00 55.06 54.25 3i55 s HIS 20 Cb -0.15 -2.05 0.00 0.00 1.11 0.00 0.00 32.58 31.50 3i55 s HIS 20 CO -0.02 -0.33 0.00 -1.91 -0.85 0.00 0.00 174.74 171.63 3i55 n GLU 21 N 4.28 -0.38 -3.46 1.40 2.13 -0.19 -3.11 120.64 121.30 3i55 n GLU 21 Ca -0.18 0.00 -0.17 0.00 0.66 0.00 0.00 57.16 57.47 3i55 n GLU 21 Cb 0.52 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.11 3i55 n GLU 21 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i55 s VAL 22 N -0.79 -0.36 -0.10 6.31 1.01 -1.20 -4.40 120.40 120.87 3i55 s VAL 22 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 61.98 61.80 3i55 s VAL 22 Cb 0.00 -0.73 0.04 0.00 0.00 0.00 0.00 36.38 35.68 3i55 s VAL 22 CO 0.00 -0.23 0.02 -0.70 0.00 0.00 0.00 175.10 174.19 3i55 s GLU 23 N 2.35 0.53 -0.35 2.72 2.12 -1.20 -5.00 118.70 119.87 3i55 s GLU 23 Ca 0.08 0.01 -0.29 0.00 0.36 0.00 0.00 54.97 55.13 3i55 s GLU 23 Cb -0.16 -1.22 -0.01 0.00 0.26 0.00 0.00 34.13 33.01 3i55 s GLU 23 CO -0.15 -0.40 1.60 0.15 -0.54 0.00 0.00 175.26 175.92 3i55 s LYS 24 N 1.97 3.51 -0.13 4.30 1.02 -1.26 -2.12 119.74 127.04 3i55 s LYS 24 Ca 0.04 1.25 -0.12 0.00 0.02 0.00 0.00 55.97 57.15 3i55 s LYS 24 Cb -0.13 -4.09 -0.05 0.00 -0.52 0.00 0.00 37.83 33.03 3i55 s LYS 24 CO -0.06 -1.64 0.47 0.28 -0.92 0.00 0.00 175.35 173.48 3i55 n VAL 25 N 7.12 0.00 1.12 3.17 0.31 -1.20 -4.79 118.33 124.06 3i55 n VAL 25 Ca 0.19 0.00 0.11 0.00 -0.01 0.00 0.00 64.34 64.64 3i55 n VAL 25 Cb 0.47 -0.13 0.36 0.00 -0.91 0.00 0.00 33.84 33.63 3i55 n VAL 25 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i55 n ARG 26 N 1.32 1.87 0.00 5.55 0.63 -1.26 -5.02 116.66 119.74 3i55 n ARG 26 Ca 0.10 -1.29 0.00 0.00 -0.92 0.00 0.00 57.85 55.74 3i55 n ARG 26 Cb -0.01 -1.43 0.00 0.00 0.45 0.00 0.00 32.46 31.47 3i55 n ARG 26 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 3i55 n SER 27 N 0.53 0.00 -3.68 6.15 7.64 -1.26 -4.96 113.62 118.04 3i55 n SER 27 Ca 0.17 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.96 3i55 n SER 27 Cb 0.39 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.57 3i55 n SER 27 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3i55 s GLY 28 N -0.85 -0.30 0.43 0.23 0.00 -1.26 -5.19 107.32 100.39 3i55 s GLY 28 Ca 0.00 0.01 -0.07 0.00 0.00 0.00 0.00 44.72 44.66 3i55 s GLY 28 CO 0.00 -0.01 0.57 0.54 0.00 0.00 0.00 173.10 174.21 3i55 n ARG 29 N -0.42 -0.64 -3.09 2.90 1.74 -1.26 -5.02 116.66 110.87 3i55 n ARG 29 Ca -0.10 -0.89 -0.43 0.00 -0.77 0.00 0.00 57.85 55.67 3i55 n ARG 29 Cb 0.62 -0.60 -0.06 0.00 -1.02 0.00 0.00 32.46 31.39 3i55 n ARG 29 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i55 s GLN 30 N -4.25 3.21 0.21 5.56 -1.52 -1.26 -4.97 119.66 116.64 3i55 s GLN 30 Ca 0.33 -0.61 -0.11 0.00 -1.95 0.00 0.00 55.36 53.02 3i55 s GLN 30 Cb -0.01 -4.04 0.28 0.00 -0.22 0.00 0.00 33.01 29.03 3i55 s GLN 30 CO 0.23 -1.19 1.29 0.25 -0.25 0.00 0.00 175.29 175.62 3i55 n THR 31 N 5.79 -0.40 0.00 -0.19 -2.24 -1.26 -4.78 114.28 111.20 3i55 n THR 31 Ca -0.03 1.93 0.00 0.00 -2.27 0.00 0.00 64.05 63.67 3i55 n THR 31 Cb 0.47 -2.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.09 3i55 n THR 31 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i55 n GLY 32 N -1.45 2.69 2.52 3.38 0.00 -1.26 -4.84 105.19 106.22 3i55 n GLY 32 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3i55 n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i55 n MET 33 N -2.00 3.39 -4.60 1.61 2.81 -1.26 -4.86 117.12 112.20 3i55 n MET 33 Ca 0.00 -4.45 -0.27 0.00 -1.81 0.00 0.00 57.70 51.16 3i55 n MET 33 Cb 0.00 -2.25 -0.11 0.00 -0.71 0.00 0.00 33.22 30.15 3i55 n MET 33 CO 0.00 0.00 0.00 0.21 1.51 0.00 0.00 175.97 177.69 3i55 s LYS 34 N -3.57 1.93 0.00 0.03 2.20 -1.26 -5.03 119.74 114.03 3i55 s LYS 34 Ca 0.48 -2.10 0.17 0.00 -0.36 0.00 0.00 55.97 54.16 3i55 s LYS 34 Cb 0.40 -1.52 0.89 0.00 -1.51 0.00 0.00 37.83 36.09 3i55 s LYS 34 CO -0.20 -0.09 1.46 1.87 -0.36 0.00 0.00 175.35 178.03 3i55 n TRP 35 N -0.95 0.00 -0.01 4.03 -0.00 -1.26 -2.69 117.44 116.57 3i55 n TRP 35 Ca -0.05 0.00 0.08 0.00 -0.00 0.00 0.00 57.50 57.53 3i55 n TRP 35 Cb 0.67 -0.20 -0.13 0.00 -0.00 0.00 0.00 31.31 31.65 3i55 n TRP 35 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 177.69 179.20 3i55 n ILE 36 N -1.20 0.02 0.37 5.87 0.13 -1.26 -3.80 119.36 119.50 3i55 n ILE 36 Ca 0.09 -0.39 0.13 0.00 -1.10 0.00 0.00 62.75 61.49 3i55 n ILE 36 Cb 0.11 0.10 0.32 0.00 -0.84 0.00 0.00 39.64 39.33 3i55 n ILE 36 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 3i55 h ASP 37 N 0.00 0.00 0.02 9.51 3.32 -1.84 -3.00 116.42 124.42 3i55 h ASP 37 Ca -0.01 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.68 3i55 h ASP 37 Cb 0.79 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.29 3i55 h ASP 37 CO 0.00 0.00 -2.00 0.54 -1.72 0.00 0.00 179.24 176.06 3i55 n ARG 38 N -2.77 0.61 0.00 3.56 1.74 -1.24 -4.25 116.66 114.31 3i55 n ARG 38 Ca 0.04 0.36 0.09 0.00 -0.77 0.00 0.00 57.85 57.57 3i55 n ARG 38 Cb 0.46 -1.62 0.51 0.00 -1.02 0.00 0.00 32.46 30.78 3i55 n ARG 38 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05 3i55 n GLN 39 N -4.07 0.83 0.08 5.56 7.27 -1.25 -2.38 117.38 123.43 3i55 n GLN 39 Ca -0.42 0.00 0.01 0.00 0.07 0.00 0.00 57.00 56.66 3i55 n GLN 39 Cb 0.85 -1.32 -0.04 0.00 2.41 0.00 0.00 30.24 32.15 3i55 n GLN 39 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 3i55 h ARG 40 N 0.00 0.00 0.00 3.69 2.43 -1.70 -2.61 114.38 116.18 3i55 h ARG 40 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i55 h ARG 40 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3i55 h ARG 40 CO 0.00 0.41 -1.57 0.39 -1.51 0.00 0.00 179.97 177.69 3i55 n GLU 41 N -3.05 0.50 0.05 0.20 1.02 -1.00 -4.31 120.64 114.06 3i55 n GLU 41 Ca -0.04 -0.12 0.04 0.00 -0.02 0.00 0.00 57.16 57.03 3i55 n GLU 41 Cb 0.79 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.67 3i55 n GLU 41 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3i55 n ARG 42 N -1.94 0.62 -1.38 3.49 1.74 -1.05 -4.01 116.66 114.13 3i55 n ARG 42 Ca -0.01 0.17 -0.31 0.00 -0.77 0.00 0.00 57.85 56.93 3i55 n ARG 42 Cb 0.46 -1.80 0.09 0.00 -1.02 0.00 0.00 32.46 30.19 3i55 n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3i55 n ASN 43 N -2.79 6.54 0.00 0.55 4.13 -0.98 -4.94 115.26 117.77 3i55 n ASN 43 Ca -0.06 -3.76 0.00 0.00 1.68 0.00 0.00 54.58 52.44 3i55 n ASN 43 Cb 0.73 -0.86 0.00 0.00 -1.54 0.00 0.00 39.78 38.11 3i55 n ASN 43 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 3i55 n SER 44 N -0.94 0.00 0.00 6.41 7.64 -1.26 -4.68 113.62 120.79 3i55 n SER 44 Ca 0.59 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.47 3i55 n SER 44 Cb 0.87 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.07 3i55 n SER 44 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i55 n GLY 45 N 0.00 1.39 2.90 0.23 0.00 -1.26 -5.00 105.19 103.45 3i55 n GLY 45 Ca 0.00 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.10 3i55 n GLY 45 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i55 s ILE 46 N 0.00 1.08 0.00 -0.61 1.01 -1.26 -5.04 121.20 116.38 3i55 s ILE 46 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 60.65 60.15 3i55 s ILE 46 Cb 0.00 -1.20 0.00 0.00 0.01 0.00 0.00 42.46 41.27 3i55 s ILE 46 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 3i55 n GLY 47 N 4.90 0.15 3.80 6.18 0.00 -1.26 -5.06 105.19 113.91 3i55 n GLY 47 Ca -0.12 -1.35 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 3i55 n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i55 s ASN 48 N -4.00 4.31 0.00 1.61 2.47 -1.26 -5.08 114.94 112.99 3i55 s ASN 48 Ca 0.00 -1.48 0.00 0.00 0.42 0.00 0.00 52.86 51.80 3i55 s ASN 48 Cb 0.00 0.41 0.00 0.00 -1.45 0.00 0.00 41.25 40.21 3i55 s ASN 48 CO 0.00 -0.91 0.00 0.47 -3.72 0.00 0.00 177.10 172.94 3i55 n ASP 49 N -1.42 0.02 0.00 -4.21 8.00 -1.26 -4.84 116.55 112.84 3i55 n ASP 49 Ca -0.12 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.38 3i55 n ASP 49 Cb 0.66 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.76 3i55 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i55 n GLY 50 N 0.05 1.87 0.14 0.44 0.00 -1.26 -4.00 105.19 102.43 3i55 n GLY 50 Ca 0.00 -0.27 0.07 0.00 0.00 0.00 0.00 46.02 45.82 3i55 n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3i55 h LYS 51 N 0.00 0.00 0.00 1.61 2.10 -1.96 -3.14 116.57 115.18 3i55 h LYS 51 Ca 0.00 0.00 -0.12 0.00 -2.00 0.00 0.00 60.65 58.53 3i55 h LYS 51 Cb 0.00 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.31 3i55 h LYS 51 CO 0.00 0.20 -1.45 1.19 -2.00 0.00 0.00 179.45 177.39 3i55 n PHE 52 N -2.97 0.79 0.51 0.07 3.01 -1.26 -3.78 117.46 113.83 3i55 n PHE 52 Ca -0.01 0.25 0.09 0.00 1.01 0.00 0.00 57.45 58.79 3i55 n PHE 52 Cb 0.66 -0.98 0.24 0.00 -0.01 0.00 0.00 39.48 39.39 3i55 n PHE 52 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3i55 n SER 53 N -2.74 2.60 -4.97 4.37 2.88 -1.25 -4.91 113.62 109.60 3i55 n SER 53 Ca -0.08 -1.97 -0.21 0.00 -1.33 0.00 0.00 58.87 55.28 3i55 n SER 53 Cb 0.75 -0.30 0.04 0.00 -0.75 0.00 0.00 64.21 63.95 3i55 n SER 53 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 3i55 s LYS 54 N -1.40 2.52 0.25 -1.46 2.20 -1.19 -4.86 119.74 115.81 3i55 s LYS 54 Ca 0.34 -0.74 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 3i55 s LYS 54 Cb 0.18 -2.46 -0.05 0.00 -1.51 0.00 0.00 37.83 33.98 3i55 s LYS 54 CO 0.24 -0.75 -0.06 0.14 -0.36 0.00 0.00 175.35 174.55 3i55 s VAL 55 N -2.80 1.52 0.75 4.02 -7.23 -1.26 -5.04 120.40 110.35 3i55 s VAL 55 Ca 0.57 -2.12 -0.15 0.00 -1.81 0.00 0.00 61.98 58.47 3i55 s VAL 55 Cb -0.10 -2.33 0.01 0.00 0.56 0.00 0.00 36.38 34.52 3i55 s VAL 55 CO 0.39 -0.38 0.88 -2.65 -0.31 0.00 0.00 175.10 173.04 3i55 n PRO 56 N -0.50 0.38 -3.76 4.82 -0.02 -1.26 -5.03 135.00 129.63 3i55 n PRO 56 Ca -0.06 0.18 -0.21 0.00 -2.02 0.00 0.00 63.50 61.40 3i55 n PRO 56 Cb 0.63 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 3i55 n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3i55 s GLY 57 N -1.69 1.63 0.00 -1.23 0.00 -1.26 -5.12 107.32 99.64 3i55 s GLY 57 Ca 0.71 -1.53 0.00 0.00 0.00 0.00 0.00 44.72 43.90 3i55 s GLY 57 CO 0.53 -1.48 0.00 0.61 0.00 0.00 0.00 173.10 172.76 3i55 n GLY 58 N -1.43 -3.02 3.29 0.20 0.00 -1.26 -5.09 105.19 97.88 3i55 n GLY 58 Ca -0.03 -1.28 -0.11 0.00 0.00 0.00 0.00 46.02 44.61 3i55 n GLY 58 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3i55 s ASP 59 N -1.81 0.12 0.88 1.61 1.01 -1.26 -5.17 116.67 112.05 3i55 s ASP 59 Ca 0.00 -1.18 -0.12 0.00 0.71 0.00 0.00 52.55 51.96 3i55 s ASP 59 Cb 0.00 0.41 0.12 0.00 1.01 0.00 0.00 42.92 44.46 3i55 s ASP 59 CO 0.00 -0.88 1.13 -0.75 0.21 0.00 0.00 175.17 174.87 3i55 s LYS 60 N -4.08 1.43 0.00 8.23 2.47 -1.26 -4.87 119.74 121.66 3i55 s LYS 60 Ca 0.29 0.38 0.00 0.00 -1.56 0.00 0.00 55.97 55.08 3i55 s LYS 60 Cb 0.05 -1.86 0.00 0.00 -1.46 0.00 0.00 37.83 34.56 3i55 s LYS 60 CO 0.07 -2.02 0.43 -0.35 0.16 0.00 0.00 175.35 173.64 3i55 n PRO 61 N -3.66 0.44 -3.57 4.03 -0.04 -1.26 -4.69 135.00 126.25 3i55 n PRO 61 Ca 0.07 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.44 3i55 n PRO 61 Cb 0.58 -1.01 -0.02 0.00 -0.04 0.00 0.00 33.50 33.02 3i55 n PRO 61 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3i55 s THR 62 N -1.97 0.00 -0.15 0.52 2.01 -1.26 -4.98 115.64 109.81 3i55 s THR 62 Ca 0.00 -0.26 0.01 0.00 0.31 0.00 0.00 61.69 61.75 3i55 s THR 62 Cb 0.00 -1.31 0.02 0.00 0.01 0.00 0.00 72.50 71.22 3i55 s THR 62 CO 0.00 0.00 -0.17 -0.54 -0.69 0.00 0.00 174.62 173.22 3i55 s LYS 63 N -3.52 2.58 0.63 4.92 -0.14 -1.26 -4.96 119.74 118.00 3i55 s LYS 63 Ca 0.06 -0.68 -0.18 0.00 -1.36 0.00 0.00 55.97 53.80 3i55 s LYS 63 Cb -0.02 -2.24 -0.02 0.00 -1.68 0.00 0.00 37.83 33.88 3i55 s LYS 63 CO -0.06 -0.16 1.29 0.15 -0.76 0.00 0.00 175.35 175.81 3i55 s LYS 64 N 1.23 2.64 -0.67 1.68 1.02 -1.25 -2.42 119.74 121.97 3i55 s LYS 64 Ca 0.01 2.06 -0.26 0.00 0.02 0.00 0.00 55.97 57.80 3i55 s LYS 64 Cb -0.14 -1.89 0.04 0.00 -0.52 0.00 0.00 37.83 35.33 3i55 s LYS 64 CO -0.08 -1.53 1.15 0.99 -0.92 0.00 0.00 175.35 174.95 3i55 s THR 65 N -1.40 4.00 -0.14 2.17 2.01 0.25 -4.73 115.64 117.80 3i55 s THR 65 Ca 0.81 0.32 -0.27 0.00 0.31 0.00 0.00 61.69 62.86 3i55 s THR 65 Cb -0.37 -4.78 -0.02 0.00 0.01 0.00 0.00 72.50 67.34 3i55 s THR 65 CO 0.40 -1.57 0.88 -0.62 -0.69 0.00 0.00 174.62 173.02 3i55 s ASP 66 N 3.45 7.06 0.08 3.53 2.15 -1.26 -3.79 116.67 127.90 3i55 s ASP 66 Ca 0.33 1.31 0.01 0.00 0.43 0.00 0.00 52.55 54.62 3i55 s ASP 66 Cb -0.10 -2.49 -0.00 0.00 -0.30 0.00 0.00 42.92 40.03 3i55 s ASP 66 CO 0.17 -0.39 0.02 0.18 -0.17 0.00 0.00 175.17 174.97 3i55 n LEU 67 N 5.03 0.00 -3.44 -1.34 4.77 -1.26 -3.24 117.00 117.52 3i55 n LEU 67 Ca 0.06 -0.59 -0.02 0.00 -0.03 0.00 0.00 56.01 55.42 3i55 n LEU 67 Cb 0.49 0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.69 3i55 n LEU 67 CO 0.49 -0.09 0.13 -0.54 -1.33 0.00 0.00 177.39 176.06 3i55 s LYS 68 N -2.31 0.49 -0.87 3.23 1.02 -0.90 -4.55 119.74 115.85 3i55 s LYS 68 Ca 0.03 1.08 -0.18 0.00 0.02 0.00 0.00 55.97 56.92 3i55 s LYS 68 Cb 0.00 0.46 0.15 0.00 -0.52 0.00 0.00 37.83 37.91 3i55 s LYS 68 CO 0.02 -0.42 1.01 0.71 -0.92 0.00 0.00 175.35 175.75 3i55 s TYR 69 N 2.78 3.24 0.57 3.18 1.51 -1.24 -3.25 117.35 124.14 3i55 s TYR 69 Ca 0.07 -1.46 -0.17 0.00 -1.01 0.00 0.00 57.07 54.49 3i55 s TYR 69 Cb -0.14 -4.16 -0.05 0.00 -0.11 0.00 0.00 41.96 37.51 3i55 s TYR 69 CO -0.18 -1.37 1.07 1.03 -1.11 0.00 0.00 175.55 174.99 3i55 s ARG 70 N 2.18 3.35 0.26 -0.62 1.81 -1.26 -3.75 118.95 120.92 3i55 s ARG 70 Ca 0.27 1.33 0.08 0.00 -1.72 0.00 0.00 55.73 55.70 3i55 s ARG 70 Cb -0.08 -2.03 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 3i55 s ARG 70 CO -0.07 -0.80 0.13 0.00 -0.68 0.00 0.00 175.30 173.88 3i55 n GLY 72 N -1.09 0.79 0.22 0.00 0.00 -0.84 -3.14 105.19 101.14 3i55 n GLY 72 Ca -0.07 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 3i55 n GLY 72 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i55 h GLU 73 N 0.00 0.64 0.00 1.61 4.81 -1.99 -3.34 114.58 116.30 3i55 h GLU 73 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3i55 h GLU 73 Cb 0.00 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.24 3i55 h GLU 73 CO 0.00 0.42 0.00 0.00 -0.73 0.00 0.00 179.01 178.70 3i55 n GLY 75 N -0.03 1.20 3.32 0.00 0.00 -1.19 -5.01 105.19 103.48 3i55 n GLY 75 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3i55 n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i55 n LYS 76 N 0.00 0.71 -3.99 1.61 5.02 -1.26 -4.63 118.16 115.62 3i55 n LYS 76 Ca 0.00 -2.77 -0.09 0.00 -2.02 0.00 0.00 58.31 53.43 3i55 n LYS 76 Cb 0.00 -0.03 -0.06 0.00 -0.02 0.00 0.00 35.03 34.93 3i55 n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i55 s ALA 77 N -2.62 -0.16 0.00 7.82 0.00 -1.26 -1.54 121.76 123.99 3i55 s ALA 77 Ca 0.43 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.50 3i55 s ALA 77 Cb -0.03 1.05 0.00 0.00 0.00 0.00 0.00 23.12 24.14 3i55 s ALA 77 CO 0.28 -0.81 0.00 -2.39 0.00 0.00 0.00 175.76 172.84 3i55 n HIS 78 N -0.35 0.00 -3.74 0.00 1.44 -1.25 -4.95 115.22 106.37 3i55 n HIS 78 Ca -0.03 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.53 3i55 n HIS 78 Cb 0.62 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.57 3i55 n HIS 78 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 3i55 s LEU 79 N 0.00 0.76 0.00 2.39 1.43 -1.26 -3.62 118.68 118.38 3i55 s LEU 79 Ca 0.00 0.13 0.01 0.00 -1.03 0.00 0.00 54.13 53.24 3i55 s LEU 79 Cb 0.00 0.05 0.01 0.00 0.03 0.00 0.00 46.19 46.28 3i55 s LEU 79 CO 0.00 -0.16 0.07 0.54 0.23 0.00 0.00 176.35 177.03 3i55 n ARG 80 N 4.44 1.42 -2.15 1.70 1.74 -1.26 -5.10 116.66 117.45 3i55 n ARG 80 Ca -0.22 -1.04 -0.27 0.00 -0.77 0.00 0.00 57.85 55.54 3i55 n ARG 80 Cb 0.50 0.19 0.07 0.00 -1.02 0.00 0.00 32.46 32.20 3i55 n ARG 80 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i55 s GLU 81 N -2.61 2.29 0.27 5.56 2.02 -1.26 -4.81 118.70 120.16 3i55 s GLU 81 Ca 0.05 -0.11 0.11 0.00 0.02 0.00 0.00 54.97 55.05 3i55 s GLU 81 Cb -0.00 -2.13 -0.05 0.00 0.10 0.00 0.00 34.13 32.05 3i55 s GLU 81 CO 0.03 -1.22 -0.12 0.20 0.02 0.00 0.00 175.26 174.17 3i55 s GLY 82 N -4.49 1.79 -0.08 -1.39 0.00 -1.26 -4.84 107.32 97.06 3i55 s GLY 82 Ca 0.60 -1.78 0.01 0.00 0.00 0.00 0.00 44.72 43.54 3i55 s GLY 82 CO 0.46 -1.86 -0.09 0.66 0.00 0.00 0.00 173.10 172.26 3i55 s TRP 83 N -2.43 2.87 -0.86 1.90 -2.14 -1.25 -4.60 118.94 112.44 3i55 s TRP 83 Ca 0.31 -0.14 -0.25 0.00 2.66 0.00 0.00 56.10 58.68 3i55 s TRP 83 Cb -0.06 -1.73 -0.09 0.00 -3.10 0.00 0.00 33.47 28.49 3i55 s TRP 83 CO 0.17 0.19 2.17 1.03 -2.66 0.00 0.00 176.95 177.85 3i55 s ARG 84 N -0.53 2.07 -0.10 3.25 0.52 -1.26 0.85 118.95 123.75 3i55 s ARG 84 Ca 0.08 0.07 0.04 0.00 -0.52 0.00 0.00 55.73 55.39 3i55 s ARG 84 Cb -0.12 -4.93 0.00 0.00 0.52 0.00 0.00 34.95 30.42 3i55 s ARG 84 CO 0.02 -3.95 -0.23 0.00 0.02 0.00 0.00 175.30 171.16 3i55 s ALA 85 N 12.51 2.10 0.43 2.13 0.00 -1.02 -4.87 121.76 133.05 3i55 s ALA 85 Ca 0.81 -0.93 0.10 0.00 0.00 0.00 0.00 51.96 51.94 3i55 s ALA 85 Cb -0.10 -0.80 0.97 0.00 0.00 0.00 0.00 23.12 23.20 3i55 s ALA 85 CO 0.04 0.26 2.05 0.78 0.00 0.00 0.00 175.76 178.89 3i55 h GLY 86 N 6.76 0.49 0.00 0.00 0.00 -1.91 -3.36 103.07 105.04 3i55 h GLY 86 Ca -0.20 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3i55 h GLY 86 CO 0.47 0.15 0.00 0.54 0.00 0.00 0.00 176.54 177.70 3i55 n ARG 87 N -4.48 0.00 -3.65 4.80 1.74 -1.26 -4.92 116.66 108.89 3i55 n ARG 87 Ca 0.04 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.10 3i55 n ARG 87 Cb 0.16 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.54 3i55 n ARG 87 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3i55 s LEU 88 N 0.00 -0.03 -0.21 0.55 2.96 -1.26 -4.99 118.68 115.70 3i55 s LEU 88 Ca 0.00 0.04 -0.00 0.00 -0.22 0.00 0.00 54.13 53.95 3i55 s LEU 88 Cb 0.00 1.05 0.06 0.00 0.50 0.00 0.00 46.19 47.80 3i55 s LEU 88 CO 0.00 -0.01 -0.03 -1.61 -1.32 0.00 0.00 176.35 173.37 3i55 s GLU 89 N -0.30 1.36 -1.33 1.98 2.02 -1.26 -5.03 118.70 116.13 3i55 s GLU 89 Ca 0.08 -0.74 -0.14 0.00 0.02 0.00 0.00 54.97 54.19 3i55 s GLU 89 Cb -0.04 -2.33 -0.03 0.00 0.10 0.00 0.00 34.13 31.83 3i55 s GLU 89 CO -0.14 -0.56 2.32 1.19 0.02 0.00 0.00 175.26 178.09 3i55 n PHE 90 N 4.81 2.84 -0.72 1.61 0.99 -1.26 -2.36 117.46 123.37 3i55 n PHE 90 Ca -0.11 -2.72 -0.33 0.00 -0.00 0.00 0.00 57.45 54.29 3i55 n PHE 90 Cb 0.46 -2.33 -0.07 0.00 -1.00 0.00 0.00 39.48 36.54 3i55 n PHE 90 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3i55 n GLN 91 N 5.59 0.00 -0.52 -1.08 6.02 -1.01 -4.46 117.38 121.92 3i55 n GLN 91 Ca 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.56 3i55 n GLN 91 Cb 0.34 -0.85 0.00 0.00 1.02 0.00 0.00 30.24 30.75 3i55 n GLN 91 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44