#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4k s ARG 4 N 0.00 3.96 0.23 -0.52 0.52 -1.26 -5.02 118.95 116.85 1i4k s ARG 4 Ca 0.00 0.23 -0.08 0.00 -0.52 0.00 0.00 55.73 55.36 1i4k s ARG 4 Cb 0.00 -3.29 0.20 0.00 0.52 0.00 0.00 34.95 32.38 1i4k s ARG 4 CO 0.00 0.54 1.89 -1.35 0.02 0.00 0.00 175.30 176.40 1i4k h PRO 5 N 5.45 1.16 -0.03 3.54 0.11 -2.05 -2.70 132.00 137.48 1i4k h PRO 5 Ca -0.49 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 1i4k h PRO 5 Cb 1.20 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 1i4k h PRO 5 CO 0.66 0.79 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.96 1i4k h LEU 6 N 1.19 0.05 -1.69 2.35 4.07 -1.99 -0.90 115.31 118.38 1i4k h LEU 6 Ca 0.32 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 58.24 1i4k h LEU 6 Cb -0.11 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 41.61 1i4k h LEU 6 CO -0.07 0.26 -0.08 0.44 -1.08 0.00 0.00 178.44 177.91 1i4k h ASP 7 N 0.05 0.08 -0.20 -0.43 3.32 -1.91 -0.11 116.42 117.23 1i4k h ASP 7 Ca 0.01 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 56.94 1i4k h ASP 7 Cb 0.38 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.91 1i4k h ASP 7 CO 0.03 0.18 -0.29 0.58 -1.72 0.00 0.00 179.24 178.02 1i4k h VAL 8 N 0.09 1.33 -0.51 -1.35 2.07 -1.21 -2.59 116.25 114.08 1i4k h VAL 8 Ca 0.02 -1.49 0.03 0.00 0.82 0.00 0.00 66.70 66.08 1i4k h VAL 8 Cb 0.21 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.77 1i4k h VAL 8 CO 0.01 0.46 0.34 -0.07 0.02 0.00 0.00 177.57 178.33 1i4k h LEU 9 N 0.21 0.49 -0.32 2.57 3.38 -1.03 -2.40 115.31 118.22 1i4k h LEU 9 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1i4k h LEU 9 Cb 0.86 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1i4k h LEU 9 CO 0.07 0.34 0.18 -1.13 0.09 0.00 0.00 178.44 177.99 1i4k h ASN 10 N 0.57 0.39 0.00 -0.43 -0.73 -0.69 -1.45 115.58 113.24 1i4k h ASN 10 Ca 0.21 -0.07 0.00 0.00 1.87 0.00 0.00 56.30 58.30 1i4k h ASN 10 Cb 0.11 -0.10 0.00 0.00 0.27 0.00 0.00 38.32 38.60 1i4k h ASN 10 CO -0.05 0.35 0.00 -2.11 -0.37 0.00 0.00 177.43 175.24 1i4k n ARG 11 N -4.81 0.85 0.00 6.67 1.85 -0.92 -2.16 116.66 118.14 1i4k n ARG 11 Ca -0.01 0.00 0.08 0.00 -1.00 0.00 0.00 57.85 56.92 1i4k n ARG 11 Cb 0.07 -1.17 0.00 0.00 -1.05 0.00 0.00 32.46 30.30 1i4k n ARG 11 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1i4k n SER 12 N -0.67 1.69 -4.70 2.89 7.64 -0.56 -4.96 113.62 114.93 1i4k n SER 12 Ca 0.07 -1.34 -0.43 0.00 1.01 0.00 0.00 58.87 58.18 1i4k n SER 12 Cb 0.03 0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.65 1i4k n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i4k n LEU 13 N -0.07 3.79 -1.21 -3.43 4.77 -0.92 -1.81 117.00 118.12 1i4k n LEU 13 Ca 0.07 1.06 -0.11 0.00 -0.03 0.00 0.00 56.01 57.00 1i4k n LEU 13 Cb 0.35 -1.54 -0.01 0.00 -2.33 0.00 0.00 43.42 39.89 1i4k n LEU 13 CO 0.20 0.07 -0.14 0.29 -1.33 0.00 0.00 177.39 176.49 1i4k n LYS 14 N 3.99 -0.88 -4.07 3.23 5.02 0.17 -4.98 118.16 120.64 1i4k n LYS 14 Ca 0.16 0.63 -0.13 0.00 -2.02 0.00 0.00 58.31 56.95 1i4k n LYS 14 Cb 0.34 -4.73 -0.11 0.00 -0.02 0.00 0.00 35.03 30.50 1i4k n LYS 14 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1i4k s SER 15 N -2.57 0.87 0.24 4.39 0.15 -0.75 -4.92 113.70 111.11 1i4k s SER 15 Ca 0.00 -0.57 -0.30 0.00 0.70 0.00 0.00 55.95 55.78 1i4k s SER 15 Cb 0.00 0.04 -0.10 0.00 -1.71 0.00 0.00 66.02 64.25 1i4k s SER 15 CO 0.00 -0.21 1.41 -2.84 1.20 0.00 0.00 173.24 172.79 1i4k s PRO 16 N -1.66 4.30 0.13 5.44 0.02 -1.26 -1.66 135.00 140.31 1i4k s PRO 16 Ca -0.09 2.25 -0.01 0.00 0.02 0.00 0.00 61.00 63.17 1i4k s PRO 16 Cb -0.09 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1i4k s PRO 16 CO 0.00 -0.37 0.04 0.14 -0.33 0.00 0.00 177.00 176.48 1i4k s VAL 17 N -0.05 0.20 -0.11 3.83 -7.23 0.16 -0.73 120.40 116.46 1i4k s VAL 17 Ca 0.58 -1.92 0.02 0.00 -1.81 0.00 0.00 61.98 58.85 1i4k s VAL 17 Cb -0.41 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 1i4k s VAL 17 CO 0.43 -0.49 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.92 1i4k s ILE 18 N -3.98 2.65 -0.24 -0.62 1.01 0.99 -2.35 121.20 118.66 1i4k s ILE 18 Ca 0.23 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 60.10 1i4k s ILE 18 Cb 0.07 -2.07 0.05 0.00 0.01 0.00 0.00 42.46 40.52 1i4k s ILE 18 CO 0.02 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.70 1i4k s VAL 19 N 0.28 2.02 0.01 2.92 1.01 0.80 -0.73 120.40 126.70 1i4k s VAL 19 Ca -0.13 -1.45 -0.17 0.00 0.00 0.00 0.00 61.98 60.24 1i4k s VAL 19 Cb -0.16 -2.12 -0.06 0.00 0.00 0.00 0.00 36.38 34.04 1i4k s VAL 19 CO 0.07 0.04 0.47 -0.60 0.00 0.00 0.00 175.10 175.08 1i4k s ARG 20 N 1.19 4.07 0.42 2.72 3.52 -0.57 -1.21 118.95 129.09 1i4k s ARG 20 Ca -0.06 0.52 0.07 0.00 -0.13 0.00 0.00 55.73 56.13 1i4k s ARG 20 Cb -0.19 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1i4k s ARG 20 CO -0.06 0.60 0.20 -0.51 -0.81 0.00 0.00 175.30 174.71 1i4k s LEU 21 N -0.84 3.08 0.36 -0.88 1.43 0.13 -1.31 118.68 120.64 1i4k s LEU 21 Ca 0.26 -1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 51.99 1i4k s LEU 21 Cb -0.17 -1.43 -0.10 0.00 0.03 0.00 0.00 46.19 44.52 1i4k s LEU 21 CO 0.15 -0.59 1.30 -0.54 0.23 0.00 0.00 176.35 176.89 1i4k s LYS 22 N -3.94 4.23 0.00 1.70 1.02 0.20 -2.90 119.74 120.06 1i4k s LYS 22 Ca 0.40 2.18 0.00 0.00 0.02 0.00 0.00 55.97 58.57 1i4k s LYS 22 Cb 0.03 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.38 1i4k s LYS 22 CO 0.22 -0.28 0.00 0.41 -0.92 0.00 0.00 175.35 174.78 1i4k n GLY 23 N 0.75 3.30 0.00 -3.33 0.00 -1.26 -4.28 105.19 100.37 1i4k n GLY 23 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1i4k n GLY 23 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i4k n GLY 24 N -1.57 0.72 3.77 -0.02 0.00 -1.14 -5.04 105.19 101.91 1i4k n GLY 24 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1i4k n GLY 24 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1i4k s ARG 25 N -0.52 4.27 0.11 1.61 3.52 -1.26 -4.57 118.95 122.11 1i4k s ARG 25 Ca 0.00 2.23 0.06 0.00 -0.13 0.00 0.00 55.73 57.89 1i4k s ARG 25 Cb 0.00 -3.01 -0.04 0.00 -1.56 0.00 0.00 34.95 30.35 1i4k s ARG 25 CO 0.00 -0.27 -0.15 -2.00 -0.81 0.00 0.00 175.30 172.08 1i4k s GLU 26 N -1.90 0.98 -0.02 5.12 2.12 -0.55 -0.70 118.70 123.77 1i4k s GLU 26 Ca 0.51 -1.16 0.02 0.00 0.36 0.00 0.00 54.97 54.69 1i4k s GLU 26 Cb -0.40 -0.93 0.00 0.00 0.26 0.00 0.00 34.13 33.06 1i4k s GLU 26 CO 0.53 0.19 -0.06 -0.06 -0.54 0.00 0.00 175.26 175.32 1i4k s PHE 27 N -1.84 0.60 -0.18 5.30 0.40 -0.35 0.13 117.98 122.04 1i4k s PHE 27 Ca 0.06 -0.12 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 1i4k s PHE 27 Cb -0.07 -0.44 0.04 0.00 0.51 0.00 0.00 43.02 43.07 1i4k s PHE 27 CO 0.03 -0.06 -0.07 1.03 0.70 0.00 0.00 175.22 176.85 1i4k s ARG 28 N 0.16 1.66 0.32 0.44 0.52 -1.10 -0.14 118.95 120.81 1i4k s ARG 28 Ca -0.02 -0.68 -0.13 0.00 -0.52 0.00 0.00 55.73 54.38 1i4k s ARG 28 Cb -0.06 -2.21 0.05 0.00 0.52 0.00 0.00 34.95 33.25 1i4k s ARG 28 CO -0.00 -0.45 0.69 0.41 0.02 0.00 0.00 175.30 175.97 1i4k n GLY 29 N 4.79 1.09 3.73 -3.53 0.00 -0.99 -0.96 105.19 109.32 1i4k n GLY 29 Ca -0.13 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.30 1i4k n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1i4k s THR 30 N -2.23 5.09 -0.02 2.61 2.01 0.10 -0.66 115.64 122.54 1i4k s THR 30 Ca 0.14 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 63.02 1i4k s THR 30 Cb -0.04 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.52 1i4k s THR 30 CO 0.09 0.31 1.15 -0.22 -0.69 0.00 0.00 174.62 175.27 1i4k s LEU 31 N 0.55 4.31 -0.00 4.42 2.96 -0.66 0.10 118.68 130.36 1i4k s LEU 31 Ca 0.31 1.82 0.01 0.00 -0.22 0.00 0.00 54.13 56.04 1i4k s LEU 31 Cb -0.17 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 42.95 1i4k s LEU 31 CO 0.14 -0.50 0.02 -0.67 -1.32 0.00 0.00 176.35 174.02 1i4k n ASP 32 N 4.70 4.72 -3.59 3.68 2.03 0.37 0.43 116.55 128.89 1i4k n ASP 32 Ca 0.10 -0.01 -0.04 0.00 0.52 0.00 0.00 54.79 55.35 1i4k n ASP 32 Cb 0.47 1.03 -0.02 0.00 -0.72 0.00 0.00 41.12 41.89 1i4k n ASP 32 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1i4k s GLY 33 N -2.06 -0.34 0.06 0.27 0.00 -1.15 -4.93 107.32 99.16 1i4k s GLY 33 Ca -0.00 1.27 -0.27 0.00 0.00 0.00 0.00 44.72 45.72 1i4k s GLY 33 CO 0.03 0.40 0.83 -2.52 0.00 0.00 0.00 173.10 171.85 1i4k s TYR 34 N -2.59 -0.36 0.35 1.90 -0.85 -1.26 -1.19 117.35 113.36 1i4k s TYR 34 Ca 0.10 0.18 0.03 0.00 -0.52 0.00 0.00 57.07 56.85 1i4k s TYR 34 Cb -0.00 0.56 -0.01 0.00 0.38 0.00 0.00 41.96 42.89 1i4k s TYR 34 CO -0.05 -0.66 0.10 -0.40 -1.52 0.00 0.00 175.55 173.02 1i4k n ASP 35 N -0.31 1.49 -0.28 -0.18 5.68 -1.15 -4.96 116.55 116.84 1i4k n ASP 35 Ca -0.10 -2.81 0.07 0.00 -0.50 0.00 0.00 54.79 51.44 1i4k n ASP 35 Cb 0.62 0.77 0.29 0.00 -1.14 0.00 0.00 41.12 41.67 1i4k n ASP 35 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 1i4k h ILE 36 N 1.51 0.98 0.00 2.12 2.04 -2.03 -0.47 117.51 121.65 1i4k h ILE 36 Ca -0.28 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1i4k h ILE 36 Cb 1.02 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 1i4k h ILE 36 CO 0.44 0.16 0.00 1.41 0.00 0.00 0.00 178.15 180.17 1i4k n HIS 37 N -4.53 0.00 -2.41 1.37 8.25 -1.26 -4.88 115.22 111.76 1i4k n HIS 37 Ca 0.15 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.53 1i4k n HIS 37 Cb 0.30 -0.40 0.01 0.00 1.12 0.00 0.00 29.99 31.02 1i4k n HIS 37 CO 0.00 0.00 0.00 -0.12 0.64 0.00 0.00 176.34 176.86 1i4k n MET 38 N -1.40 -1.41 -2.62 -0.41 1.56 -0.19 -4.48 117.12 108.17 1i4k n MET 38 Ca 0.07 0.34 -0.34 0.00 -0.27 0.00 0.00 57.70 57.49 1i4k n MET 38 Cb 0.19 -4.07 -0.05 0.00 2.15 0.00 0.00 33.22 31.44 1i4k n MET 38 CO 0.00 0.00 0.00 -0.80 -0.73 0.00 0.00 175.97 174.44 1i4k s ASN 39 N -2.83 6.62 0.15 6.12 0.01 -1.26 -3.89 114.94 119.86 1i4k s ASN 39 Ca 0.08 1.89 0.05 0.00 -0.71 0.00 0.00 52.86 54.16 1i4k s ASN 39 Cb -0.03 -2.56 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1i4k s ASN 39 CO 0.09 -0.59 -0.11 -0.76 -1.51 0.00 0.00 177.10 174.23 1i4k s LEU 40 N -3.17 2.53 -0.09 0.60 1.43 -0.12 -2.91 118.68 116.95 1i4k s LEU 40 Ca 0.63 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1i4k s LEU 40 Cb -0.16 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.69 1i4k s LEU 40 CO 0.20 -0.30 -0.11 -0.69 0.23 0.00 0.00 176.35 175.67 1i4k s VAL 41 N -3.25 1.15 0.04 -1.59 1.01 -0.33 0.11 120.40 117.53 1i4k s VAL 41 Ca 0.17 -0.44 0.08 0.00 0.00 0.00 0.00 61.98 61.80 1i4k s VAL 41 Cb 0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1i4k s VAL 41 CO 0.01 0.37 -0.24 -0.76 0.00 0.00 0.00 175.10 174.49 1i4k s LEU 42 N 1.07 2.15 0.09 3.92 1.43 -0.80 -0.47 118.68 126.06 1i4k s LEU 42 Ca -0.07 -0.54 0.09 0.00 -1.03 0.00 0.00 54.13 52.58 1i4k s LEU 42 Cb -0.15 -1.17 -0.04 0.00 0.03 0.00 0.00 46.19 44.87 1i4k s LEU 42 CO -0.01 0.23 -0.19 -0.76 0.23 0.00 0.00 176.35 175.85 1i4k s LEU 43 N -1.12 2.64 -1.25 1.79 1.43 0.12 -1.59 118.68 120.70 1i4k s LEU 43 Ca 0.10 -0.53 -0.10 0.00 -1.03 0.00 0.00 54.13 52.56 1i4k s LEU 43 Cb -0.09 -1.51 -0.01 0.00 0.03 0.00 0.00 46.19 44.60 1i4k s LEU 43 CO 0.02 0.20 0.67 -0.67 0.23 0.00 0.00 176.35 176.79 1i4k n ASP 44 N 1.04 -3.07 -4.76 2.29 -0.08 -1.07 -0.72 116.55 110.18 1i4k n ASP 44 Ca -0.16 -0.97 -0.28 0.00 -1.51 0.00 0.00 54.79 51.87 1i4k n ASP 44 Cb 0.53 -3.45 -0.06 0.00 2.34 0.00 0.00 41.12 40.47 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i4k s ALA 45 N -3.65 3.48 -0.22 -1.67 0.00 0.48 -4.37 121.76 115.81 1i4k s ALA 45 Ca 0.25 -1.18 -0.03 0.00 0.00 0.00 0.00 51.96 51.00 1i4k s ALA 45 Cb -0.08 -1.31 -0.00 0.00 0.00 0.00 0.00 23.12 21.72 1i4k s ALA 45 CO 0.86 0.58 -0.06 -1.21 0.00 0.00 0.00 175.76 175.93 1i4k s GLU 46 N -2.82 3.30 -0.04 0.00 2.02 -0.13 -1.26 118.70 119.77 1i4k s GLU 46 Ca 0.29 -0.67 -0.30 0.00 0.02 0.00 0.00 54.97 54.31 1i4k s GLU 46 Cb -0.11 -2.97 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1i4k s GLU 46 CO 0.22 -0.21 1.09 -2.00 0.02 0.00 0.00 175.26 174.37 1i4k s GLU 47 N 1.45 4.43 -0.26 1.61 2.12 -0.93 -2.70 118.70 124.42 1i4k s GLU 47 Ca 0.05 1.55 0.01 0.00 0.36 0.00 0.00 54.97 56.94 1i4k s GLU 47 Cb -0.14 -3.50 0.07 0.00 0.26 0.00 0.00 34.13 30.82 1i4k s GLU 47 CO -0.04 -0.29 -0.02 0.42 -0.54 0.00 0.00 175.26 174.79 1i4k s ILE 48 N 1.69 1.63 -0.16 -3.70 1.01 0.12 -0.81 121.20 120.98 1i4k s ILE 48 Ca 0.53 -1.47 -0.08 0.00 0.00 0.00 0.00 60.65 59.63 1i4k s ILE 48 Cb -0.23 -1.97 -0.04 0.00 0.01 0.00 0.00 42.46 40.23 1i4k s ILE 48 CO 0.23 -0.25 0.12 -1.10 0.00 0.00 0.00 174.94 173.94 1i4k s GLN 49 N 1.31 3.82 0.00 2.79 -1.52 -0.87 -1.48 119.66 123.72 1i4k s GLN 49 Ca -0.01 -0.22 0.00 0.00 -1.95 0.00 0.00 55.36 53.18 1i4k s GLN 49 Cb -0.19 -3.27 0.00 0.00 -0.22 0.00 0.00 33.01 29.33 1i4k s GLN 49 CO -0.09 0.49 0.00 0.09 -0.25 0.00 0.00 175.29 175.53 1i4k n ASN 50 N 2.89 0.00 0.00 5.90 4.13 -1.26 -0.72 115.26 126.20 1i4k n ASN 50 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 1i4k n ASN 50 Cb 0.53 -1.74 0.00 0.00 -1.54 0.00 0.00 39.78 37.03 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1i4k n GLY 51 N -1.63 1.76 2.86 7.41 0.00 -1.26 -5.13 105.19 109.21 1i4k n GLY 51 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1i4k n GLY 51 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1i4k s GLU 52 N -0.04 0.46 -0.52 1.61 1.03 0.10 -5.09 118.70 116.26 1i4k s GLU 52 Ca 0.00 -0.02 -0.26 0.00 0.03 0.00 0.00 54.97 54.72 1i4k s GLU 52 Cb 0.00 -0.56 -0.07 0.00 -0.80 0.00 0.00 34.13 32.71 1i4k s GLU 52 CO 0.00 -0.08 2.37 0.08 -1.33 0.00 0.00 175.26 176.30 1i4k s VAL 53 N 0.78 3.03 -2.26 1.83 1.01 -1.26 -2.04 120.40 121.49 1i4k s VAL 53 Ca -0.09 0.01 0.20 0.00 0.00 0.00 0.00 61.98 62.11 1i4k s VAL 53 Cb -0.12 -3.08 0.43 0.00 0.00 0.00 0.00 36.38 33.61 1i4k s VAL 53 CO -0.01 -0.08 1.46 1.33 0.00 0.00 0.00 175.10 177.80 1i4k n VAL 54 N 7.99 0.38 0.00 2.92 0.24 0.01 -4.97 118.33 124.89 1i4k n VAL 54 Ca 0.36 -0.51 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1i4k n VAL 54 Cb 0.54 0.51 0.00 0.00 -1.47 0.00 0.00 33.84 33.42 1i4k n VAL 54 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1i4k n ARG 55 N 0.74 0.00 -3.45 7.34 0.63 -1.22 -4.95 116.66 115.74 1i4k n ARG 55 Ca 0.17 0.00 -0.22 0.00 -0.92 0.00 0.00 57.85 56.88 1i4k n ARG 55 Cb 0.41 0.00 -0.12 0.00 0.45 0.00 0.00 32.46 33.21 1i4k n ARG 55 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1i4k s LYS 56 N -2.00 0.28 0.01 -0.14 2.47 -1.26 -2.20 119.74 116.91 1i4k s LYS 56 Ca 0.00 -0.31 0.03 0.00 -1.56 0.00 0.00 55.97 54.14 1i4k s LYS 56 Cb 0.00 -0.85 -0.03 0.00 -1.46 0.00 0.00 37.83 35.49 1i4k s LYS 56 CO 0.00 -1.03 -0.05 0.14 0.16 0.00 0.00 175.35 174.57 1i4k s VAL 57 N 2.24 3.75 -2.24 4.02 -7.23 -0.39 -4.98 120.40 115.57 1i4k s VAL 57 Ca 0.09 -0.77 0.19 0.00 -1.81 0.00 0.00 61.98 59.68 1i4k s VAL 57 Cb -0.15 -2.65 0.43 0.00 0.56 0.00 0.00 36.38 34.57 1i4k s VAL 57 CO -0.34 0.36 1.48 0.61 -0.31 0.00 0.00 175.10 176.91 1i4k n GLY 58 N 1.44 0.52 3.64 2.32 0.00 -1.26 -0.39 105.19 111.46 1i4k n GLY 58 Ca -0.15 -0.45 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 1i4k n GLY 58 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1i4k s SER 59 N -1.45 -0.42 -0.20 1.61 0.15 -1.25 -2.61 113.70 109.51 1i4k s SER 59 Ca 0.32 0.77 -0.13 0.00 0.70 0.00 0.00 55.95 57.60 1i4k s SER 59 Cb 0.17 0.90 0.06 0.00 -1.71 0.00 0.00 66.02 65.44 1i4k s SER 59 CO 0.25 -0.13 0.51 -0.69 1.20 0.00 0.00 173.24 174.38 1i4k s VAL 60 N 0.54 -0.01 -0.23 4.45 1.01 -0.62 -4.99 120.40 120.55 1i4k s VAL 60 Ca -0.00 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 1i4k s VAL 60 Cb -0.05 -0.73 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1i4k s VAL 60 CO -0.10 0.02 0.12 -0.69 0.00 0.00 0.00 175.10 174.45 1i4k s VAL 61 N 1.16 5.00 -0.13 2.92 1.01 -1.26 -1.91 120.40 127.18 1i4k s VAL 61 Ca -0.07 0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.95 1i4k s VAL 61 Cb -0.06 -3.32 -0.02 0.00 0.00 0.00 0.00 36.38 32.97 1i4k s VAL 61 CO -0.11 0.36 -0.09 -0.63 0.00 0.00 0.00 175.10 174.64 1i4k s ILE 62 N 1.08 3.47 -0.01 2.22 1.01 0.12 -4.96 121.20 124.13 1i4k s ILE 62 Ca 0.06 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.89 1i4k s ILE 62 Cb -0.14 -2.48 -0.05 0.00 0.01 0.00 0.00 42.46 39.80 1i4k s ILE 62 CO 0.04 0.52 1.27 -0.13 0.00 0.00 0.00 174.94 176.64 1i4k s ARG 63 N 0.22 4.35 0.24 2.79 1.81 -1.26 -0.95 118.95 126.15 1i4k s ARG 63 Ca -0.05 1.80 -0.07 0.00 -1.72 0.00 0.00 55.73 55.69 1i4k s ARG 63 Cb -0.15 -3.50 0.43 0.00 -0.45 0.00 0.00 34.95 31.28 1i4k s ARG 63 CO 0.04 -0.45 1.65 0.78 -0.68 0.00 0.00 175.30 176.65 1i4k h GLY 64 N 7.88 0.87 -0.26 -3.53 0.00 -1.79 -1.49 103.07 104.76 1i4k h GLY 64 Ca -0.37 0.07 0.33 0.00 0.00 0.00 0.00 47.33 47.35 1i4k h GLY 64 CO 0.87 -0.26 0.81 -0.55 0.00 0.00 0.00 176.54 177.42 1i4k h ASP 65 N 0.14 0.00 1.07 0.19 3.32 -1.89 0.86 116.42 120.12 1i4k h ASP 65 Ca 0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.45 1i4k h ASP 65 Cb 0.70 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.25 1i4k h ASP 65 CO -0.61 0.00 -0.35 0.41 -1.72 0.00 0.00 179.24 176.97 1i4k n THR 66 N -4.19 0.39 -2.69 0.35 -1.04 -0.56 -4.89 114.28 101.65 1i4k n THR 66 Ca 0.24 -0.24 -0.40 0.00 -2.04 0.00 0.00 64.05 61.60 1i4k n THR 66 Cb 1.19 -0.29 -0.05 0.00 -1.82 0.00 0.00 70.33 69.36 1i4k n THR 66 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i4k s VAL 67 N -3.12 4.12 -0.22 12.58 1.01 0.30 -0.62 120.40 134.43 1i4k s VAL 67 Ca 0.09 1.98 -0.10 0.00 0.00 0.00 0.00 61.98 63.94 1i4k s VAL 67 Cb 0.14 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1i4k s VAL 67 CO 0.66 0.41 -0.28 0.52 0.00 0.00 0.00 175.10 176.41 1i4k n VAL 68 N 1.93 1.23 -3.66 2.92 0.31 -0.43 -4.85 118.33 115.78 1i4k n VAL 68 Ca -0.00 -0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 63.90 1i4k n VAL 68 Cb 0.47 -1.77 -0.04 0.00 -0.91 0.00 0.00 33.84 31.60 1i4k n VAL 68 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1i4k s PHE 69 N -2.41 -0.19 -0.06 3.52 -0.12 -1.18 -5.02 117.98 112.51 1i4k s PHE 69 Ca -0.31 -0.13 -0.00 0.00 -0.05 0.00 0.00 56.93 56.44 1i4k s PHE 69 Cb 0.12 0.35 0.02 0.00 -0.63 0.00 0.00 43.02 42.88 1i4k s PHE 69 CO 0.40 -0.82 -0.02 0.08 -0.05 0.00 0.00 175.22 174.81 1i4k s VAL 70 N -3.83 0.48 -0.03 -2.49 1.01 -1.26 -1.52 120.40 112.76 1i4k s VAL 70 Ca 0.06 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.05 1i4k s VAL 70 Cb 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 36.38 35.81 1i4k s VAL 70 CO -0.07 0.25 -0.10 -0.55 0.00 0.00 0.00 175.10 174.62 1i4k s SER 71 N 1.46 1.42 0.72 3.32 0.15 0.09 -4.96 113.70 115.91 1i4k s SER 71 Ca -0.02 -0.22 -0.15 0.00 0.70 0.00 0.00 55.95 56.25 1i4k s SER 71 Cb -0.13 -0.44 0.03 0.00 -1.71 0.00 0.00 66.02 63.77 1i4k s SER 71 CO -0.03 0.07 1.21 -2.84 1.20 0.00 0.00 173.24 172.85 1i4k s PRO 72 N 0.28 2.21 0.29 5.44 0.02 -1.26 -0.01 135.00 141.96 1i4k s PRO 72 Ca -0.05 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.44 1i4k s PRO 72 Cb -0.10 -1.84 -0.10 0.00 0.02 0.00 0.00 34.50 32.48 1i4k s PRO 72 CO 0.01 -1.79 1.32 0.00 -0.33 0.00 0.00 177.00 176.22 1i4k s ALA 73 N -1.95 3.52 -0.51 -1.55 0.00 0.09 -4.71 121.76 116.65 1i4k s ALA 73 Ca 0.75 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.93 1i4k s ALA 73 Cb -0.29 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.34 1i4k s ALA 73 CO 0.44 -0.61 0.13 -2.30 0.00 0.00 0.00 175.76 173.42