#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 2.55 0.12 -0.52 0.52 -1.26 -4.92 118.95 115.44 1i4k s ARG 4 Ca 0.00 -0.29 -0.26 0.00 -0.52 0.00 0.00 55.73 54.66 1i4k s ARG 4 Cb 0.00 -2.29 -0.06 0.00 0.52 0.00 0.00 34.95 33.13 1i4k s ARG 4 CO 0.00 -0.91 1.63 -1.35 0.02 0.00 0.00 175.30 174.69 1i4k h PRO 5 N -0.28 -0.40 0.00 3.54 0.11 -2.06 -1.94 132.00 130.97 1i4k h PRO 5 Ca -0.44 0.03 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 1i4k h PRO 5 Cb 1.29 0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.49 1i4k h PRO 5 CO 0.59 -0.27 -0.00 -0.07 -0.21 0.00 0.00 178.00 178.04 1i4k h LEU 6 N -0.42 0.00 0.07 2.35 4.07 -1.99 -2.93 115.31 116.46 1i4k h LEU 6 Ca 0.06 0.00 -0.26 0.00 0.08 0.00 0.00 57.88 57.75 1i4k h LEU 6 Cb 0.50 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.26 1i4k h LEU 6 CO -0.22 0.00 -1.08 0.44 -1.08 0.00 0.00 178.44 176.50 1i4k h ASP 7 N 0.00 0.83 -0.11 -0.43 3.32 -1.79 -2.63 116.42 115.61 1i4k h ASP 7 Ca -0.00 -0.80 0.03 0.00 0.02 0.00 0.00 57.03 56.28 1i4k h ASP 7 Cb 0.42 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 1i4k h ASP 7 CO 0.00 1.53 0.15 0.58 -1.72 0.00 0.00 179.24 179.78 1i4k h VAL 8 N 0.23 0.38 0.23 -1.35 2.07 -1.18 0.19 116.25 116.81 1i4k h VAL 8 Ca -0.15 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.03 1i4k h VAL 8 Cb 1.76 0.88 0.03 0.00 -1.52 0.00 0.00 31.29 32.43 1i4k h VAL 8 CO 0.21 0.00 -1.49 -0.07 0.02 0.00 0.00 177.57 176.24 1i4k h LEU 9 N 0.00 0.76 -1.16 2.57 3.38 -1.53 -3.30 115.31 116.04 1i4k h LEU 9 Ca 0.05 -0.85 0.09 0.00 0.09 0.00 0.00 57.88 57.26 1i4k h LEU 9 Cb 0.34 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.78 1i4k h LEU 9 CO -0.00 1.68 0.59 -1.13 0.09 0.00 0.00 178.44 179.66 1i4k h ASN 10 N 0.13 0.84 -0.02 -0.43 -0.73 -0.28 -0.17 115.58 114.93 1i4k h ASN 10 Ca -0.25 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.94 1i4k h ASN 10 Cb 2.14 -0.15 0.00 0.00 0.27 0.00 0.00 38.32 40.58 1i4k h ASN 10 CO 0.26 0.50 0.00 -2.11 -0.37 0.00 0.00 177.43 175.71 1i4k n ARG 11 N -4.53 1.11 0.00 6.67 1.85 -0.82 -3.02 116.66 117.92 1i4k n ARG 11 Ca 0.15 -0.17 0.07 0.00 -1.00 0.00 0.00 57.85 56.90 1i4k n ARG 11 Cb 0.29 -1.34 -0.06 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 -0.66 0.83 -4.60 2.89 7.64 -0.09 -4.98 113.62 114.65 1i4k n SER 12 Ca 0.16 -0.92 -0.49 0.00 1.01 0.00 0.00 58.87 58.63 1i4k n SER 12 Cb 0.11 0.88 -0.05 0.00 -1.01 0.00 0.00 64.21 64.15 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 -1.05 1.94 -3.29 -3.43 4.77 -1.12 -1.15 117.00 113.66 1i4k n LEU 13 Ca 0.03 1.13 -0.21 0.00 -0.03 0.00 0.00 56.01 56.93 1i4k n LEU 13 Cb 0.23 -1.26 0.07 0.00 -2.33 0.00 0.00 43.42 40.14 1i4k n LEU 13 CO 0.25 -0.99 0.20 0.29 -1.33 0.00 0.00 177.39 175.81 1i4k n LYS 14 N 2.27 -7.05 -3.73 3.23 5.02 0.79 -4.97 118.16 113.73 1i4k n LYS 14 Ca 0.16 0.76 -0.12 0.00 -2.02 0.00 0.00 58.31 57.09 1i4k n LYS 14 Cb 0.24 -5.57 -0.11 0.00 -0.02 0.00 0.00 35.03 29.56 1i4k n LYS 14 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1i4k s SER 15 N -3.46 -0.38 0.39 4.39 0.01 -0.30 -4.95 113.70 109.39 1i4k s SER 15 Ca 0.44 0.71 -0.26 0.00 1.31 0.00 0.00 55.95 58.15 1i4k s SER 15 Cb -0.19 0.66 -0.11 0.00 0.21 0.00 0.00 66.02 66.59 1i4k s SER 15 CO 0.66 -0.15 1.22 -0.81 0.41 0.00 0.00 173.24 174.57 1i4k n PRO 16 N 3.55 1.86 -3.99 12.44 -0.04 -1.26 -2.75 135.00 144.80 1i4k n PRO 16 Ca -0.18 0.66 -0.10 0.00 -0.04 0.00 0.00 63.50 63.84 1i4k n PRO 16 Cb 0.56 -2.27 -0.07 0.00 -0.04 0.00 0.00 33.50 31.67 1i4k n PRO 16 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1i4k s VAL 17 N -1.17 0.06 -0.21 0.52 -7.23 -0.35 -1.21 120.40 110.80 1i4k s VAL 17 Ca 0.59 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1i4k s VAL 17 Cb -0.55 -1.92 0.02 0.00 0.56 0.00 0.00 36.38 34.50 1i4k s VAL 17 CO 0.59 -0.27 -0.14 -0.63 -0.31 0.00 0.00 175.10 174.34 1i4k s ILE 18 N -3.99 2.42 -0.40 -0.62 1.01 0.02 -2.82 121.20 116.83 1i4k s ILE 18 Ca 0.19 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 1i4k s ILE 18 Cb 0.04 -2.12 0.07 0.00 0.01 0.00 0.00 42.46 40.46 1i4k s ILE 18 CO 0.01 0.39 0.21 -0.69 0.00 0.00 0.00 174.94 174.87 1i4k s VAL 19 N 1.30 4.03 -0.03 2.92 1.01 0.07 -1.13 120.40 128.57 1i4k s VAL 19 Ca 0.03 -1.39 -0.27 0.00 0.00 0.00 0.00 61.98 60.34 1i4k s VAL 19 Cb -0.15 -3.44 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1i4k s VAL 19 CO -0.09 -0.44 0.87 -0.60 0.00 0.00 0.00 175.10 174.85 1i4k s ARG 20 N 1.39 4.50 0.00 2.72 6.06 -0.35 -1.24 118.95 132.04 1i4k s ARG 20 Ca 0.02 1.21 0.00 0.00 -2.50 0.00 0.00 55.73 54.46 1i4k s ARG 20 Cb -0.22 -3.46 0.00 0.00 0.06 0.00 0.00 34.95 31.33 1i4k s ARG 20 CO 0.02 -0.03 0.00 1.28 -2.50 0.00 0.00 175.30 174.07 1i4k n LEU 21 N 3.94 0.00 -4.83 -0.88 4.77 -0.15 -0.40 117.00 119.44 1i4k n LEU 21 Ca 0.03 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.67 1i4k n LEU 21 Cb 0.51 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1i4k n LEU 21 CO 0.50 -0.13 0.44 -0.54 -1.33 0.00 0.00 177.39 176.33 1i4k s LYS 22 N -1.04 4.13 -0.20 3.23 -0.14 -0.97 -4.10 119.74 120.65 1i4k s LYS 22 Ca 0.00 0.79 0.00 0.00 -1.36 0.00 0.00 55.97 55.40 1i4k s LYS 22 Cb 0.00 -2.59 0.00 0.00 -1.68 0.00 0.00 37.83 33.56 1i4k s LYS 22 CO 0.00 0.24 0.00 0.41 -0.76 0.00 0.00 175.35 175.24 1i4k n GLY 23 N 0.05 0.54 2.44 -3.33 0.00 -1.26 -3.44 105.19 100.18 1i4k n GLY 23 Ca 0.02 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.66 1.76 3.76 -0.02 0.00 -1.26 -4.89 105.19 101.88 1i4k n GLY 24 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.19 3.38 -0.02 1.61 3.52 -1.22 -3.41 118.95 122.61 1i4k s ARG 25 Ca 0.00 1.91 -0.16 0.00 -0.13 0.00 0.00 55.73 57.36 1i4k s ARG 25 Cb 0.00 -2.23 0.03 0.00 -1.56 0.00 0.00 34.95 31.18 1i4k s ARG 25 CO 0.00 -0.90 0.33 -2.00 -0.81 0.00 0.00 175.30 171.92 1i4k s GLU 26 N -2.93 0.68 0.02 5.12 2.12 0.12 -0.97 118.70 122.85 1i4k s GLU 26 Ca 0.70 -0.15 0.05 0.00 0.36 0.00 0.00 54.97 55.93 1i4k s GLU 26 Cb -0.32 0.30 -0.02 0.00 0.26 0.00 0.00 34.13 34.35 1i4k s GLU 26 CO 0.38 -0.19 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.70 1i4k s PHE 27 N -1.27 1.31 -0.05 5.30 0.40 -0.37 0.11 117.98 123.41 1i4k s PHE 27 Ca -0.13 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 55.91 1i4k s PHE 27 Cb -0.05 -0.80 0.01 0.00 0.51 0.00 0.00 43.02 42.69 1i4k s PHE 27 CO 0.04 0.02 -0.09 1.03 0.70 0.00 0.00 175.22 176.93 1i4k s ARG 28 N -0.83 1.20 0.00 0.44 0.52 -0.65 -0.75 118.95 118.89 1i4k s ARG 28 Ca 0.04 -0.27 0.00 0.00 -0.52 0.00 0.00 55.73 54.97 1i4k s ARG 28 Cb -0.07 -1.07 0.00 0.00 0.52 0.00 0.00 34.95 34.33 1i4k s ARG 28 CO 0.01 0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.75 1i4k n GLY 29 N 3.77 -1.47 3.66 -3.53 0.00 -1.13 -0.11 105.19 106.39 1i4k n GLY 29 Ca -0.23 -1.06 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 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 -2.81 4.90 -0.18 2.61 2.01 0.24 -1.22 115.64 121.20 1i4k s THR 30 Ca 0.00 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.24 1i4k s THR 30 Cb 0.00 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1i4k s THR 30 CO 0.00 0.03 1.83 -0.22 -0.69 0.00 0.00 174.62 175.56 1i4k s LEU 31 N 2.21 3.88 0.00 4.42 2.96 -1.11 -0.45 118.68 130.58 1i4k s LEU 31 Ca 0.36 1.86 0.13 0.00 -0.22 0.00 0.00 54.13 56.26 1i4k s LEU 31 Cb -0.16 -3.53 -0.09 0.00 0.50 0.00 0.00 46.19 42.91 1i4k s LEU 31 CO 0.11 -1.40 0.61 -0.67 -1.32 0.00 0.00 176.35 173.68 1i4k n ASP 32 N 9.09 0.89 0.00 3.68 2.03 0.19 -0.15 116.55 132.28 1i4k n ASP 32 Ca 0.22 -0.94 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1i4k n ASP 32 Cb 0.44 0.82 0.00 0.00 -0.72 0.00 0.00 41.12 41.66 1i4k n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1i4k n GLY 33 N 1.21 0.73 3.65 0.27 0.00 -1.18 -4.92 105.19 104.94 1i4k n GLY 33 Ca 0.03 -0.92 -0.00 0.00 0.00 0.00 0.00 46.02 45.13 1i4k n GLY 33 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1i4k s TYR 34 N -2.00 -0.07 0.29 1.61 -0.85 -1.26 -2.33 117.35 112.74 1i4k s TYR 34 Ca 0.00 -0.07 0.05 0.00 -0.52 0.00 0.00 57.07 56.53 1i4k s TYR 34 Cb 0.00 0.56 -0.02 0.00 0.38 0.00 0.00 41.96 42.88 1i4k s TYR 34 CO 0.00 -0.40 0.19 -0.40 -1.52 0.00 0.00 175.55 173.43 1i4k n ASP 35 N -0.46 0.01 -0.09 -0.18 5.68 -1.14 -4.98 116.55 115.39 1i4k n ASP 35 Ca -0.08 -2.78 0.17 0.00 -0.50 0.00 0.00 54.79 51.61 1i4k n ASP 35 Cb 0.62 1.19 0.58 0.00 -1.14 0.00 0.00 41.12 42.36 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 1.76 0.78 -0.41 2.12 5.03 -2.03 -1.43 117.51 123.34 1i4k h ILE 36 Ca -0.21 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1i4k h ILE 36 Cb 0.98 0.51 0.00 0.00 -3.03 0.00 0.00 36.82 35.28 1i4k h ILE 36 CO 0.32 0.05 0.00 1.41 -0.68 0.00 0.00 178.15 179.25 1i4k n HIS 37 N -4.44 0.55 -1.77 1.37 8.25 -1.26 -4.93 115.22 112.99 1i4k n HIS 37 Ca 0.12 -0.27 -0.06 0.00 -0.26 0.00 0.00 57.72 57.24 1i4k n HIS 37 Cb 0.54 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.64 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 0.82 -0.47 -2.25 -0.41 1.56 -0.54 -4.36 117.12 111.48 1i4k n MET 38 Ca 0.16 0.46 -0.37 0.00 -0.27 0.00 0.00 57.70 57.67 1i4k n MET 38 Cb 0.40 -4.27 -0.01 0.00 2.15 0.00 0.00 33.22 31.49 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 -2.80 6.18 0.28 6.12 0.01 -1.26 -3.68 114.94 119.80 1i4k s ASN 39 Ca 0.00 2.32 0.05 0.00 -0.71 0.00 0.00 52.86 54.52 1i4k s ASN 39 Cb 0.00 -2.60 -0.06 0.00 0.41 0.00 0.00 41.25 39.00 1i4k s ASN 39 CO 0.00 -0.91 0.00 -0.76 -1.51 0.00 0.00 177.10 173.92 1i4k s LEU 40 N -2.99 2.30 -0.02 0.60 1.43 0.34 -2.89 118.68 117.44 1i4k s LEU 40 Ca 0.63 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.47 1i4k s LEU 40 Cb -0.29 -0.45 0.02 0.00 0.03 0.00 0.00 46.19 45.50 1i4k s LEU 40 CO 0.35 -0.49 -0.00 -0.69 0.23 0.00 0.00 176.35 175.75 1i4k s VAL 41 N -3.22 0.16 0.04 -1.59 1.01 -0.98 -0.60 120.40 115.21 1i4k s VAL 41 Ca 0.32 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.39 1i4k s VAL 41 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 36.38 36.19 1i4k s VAL 41 CO 0.12 0.12 -0.13 -0.76 0.00 0.00 0.00 175.10 174.44 1i4k s LEU 42 N 0.73 2.18 0.18 3.92 1.43 -0.52 -0.64 118.68 125.95 1i4k s LEU 42 Ca -0.07 -0.46 0.08 0.00 -1.03 0.00 0.00 54.13 52.65 1i4k s LEU 42 Cb -0.10 -0.56 -0.04 0.00 0.03 0.00 0.00 46.19 45.52 1i4k s LEU 42 CO -0.01 0.01 -0.04 -0.76 0.23 0.00 0.00 176.35 175.77 1i4k s LEU 43 N -1.17 3.15 -0.99 1.79 1.43 0.40 -1.41 118.68 121.88 1i4k s LEU 43 Ca 0.01 -0.49 -0.15 0.00 -1.03 0.00 0.00 54.13 52.47 1i4k s LEU 43 Cb -0.08 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.35 1i4k s LEU 43 CO 0.01 0.09 0.63 0.47 0.23 0.00 0.00 176.35 177.79 1i4k n ASP 44 N -0.06 -4.47 -4.59 2.29 9.92 0.22 -0.59 116.55 119.27 1i4k n ASP 44 Ca -0.10 -1.12 -0.23 0.00 -0.53 0.00 0.00 54.79 52.80 1i4k n ASP 44 Cb 0.55 -1.58 -0.08 0.00 -0.64 0.00 0.00 41.12 39.37 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i4k s ALA 45 N -3.22 3.05 -0.05 2.24 0.00 0.92 -4.04 121.76 120.66 1i4k s ALA 45 Ca 0.21 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.44 1i4k s ALA 45 Cb -0.12 -0.59 0.01 0.00 0.00 0.00 0.00 23.12 22.43 1i4k s ALA 45 CO 0.93 0.25 -0.09 -1.21 0.00 0.00 0.00 175.76 175.64 1i4k s GLU 46 N -3.63 1.28 -0.23 0.00 2.02 0.85 0.23 118.70 119.21 1i4k s GLU 46 Ca 0.31 -0.29 -0.21 0.00 0.02 0.00 0.00 54.97 54.80 1i4k s GLU 46 Cb -0.05 -1.13 -0.02 0.00 0.10 0.00 0.00 34.13 33.03 1i4k s GLU 46 CO 0.18 0.01 0.63 -2.00 0.02 0.00 0.00 175.26 174.11 1i4k s GLU 47 N 0.65 4.16 -0.05 1.61 2.12 -0.59 -1.63 118.70 124.96 1i4k s GLU 47 Ca -0.12 0.59 0.02 0.00 0.36 0.00 0.00 54.97 55.83 1i4k s GLU 47 Cb -0.14 -3.62 -0.03 0.00 0.26 0.00 0.00 34.13 30.60 1i4k s GLU 47 CO 0.02 -0.34 -0.11 0.42 -0.54 0.00 0.00 175.26 174.71 1i4k s ILE 48 N 2.26 3.34 -0.22 -3.70 1.09 0.31 0.35 121.20 124.63 1i4k s ILE 48 Ca 0.27 -0.63 -0.00 0.00 -1.10 0.00 0.00 60.65 59.19 1i4k s ILE 48 Cb -0.16 -2.34 0.06 0.00 -1.06 0.00 0.00 42.46 38.97 1i4k s ILE 48 CO 0.09 0.59 -0.02 -1.10 -0.10 0.00 0.00 174.94 174.39 1i4k s GLN 49 N -0.79 1.30 -1.42 2.79 -1.52 0.62 0.11 119.66 120.75 1i4k s GLN 49 Ca 0.12 -0.79 -0.10 0.00 -1.95 0.00 0.00 55.36 52.64 1i4k s GLN 49 Cb -0.11 -2.41 0.07 0.00 -0.22 0.00 0.00 33.01 30.34 1i4k s GLN 49 CO 0.01 -0.61 0.66 0.09 -0.25 0.00 0.00 175.29 175.19 1i4k n ASN 50 N 4.80 -4.47 0.00 5.90 4.13 -1.22 -2.15 115.26 122.25 1i4k n ASN 50 Ca -0.11 -0.49 0.00 0.00 1.68 0.00 0.00 54.58 55.66 1i4k n ASN 50 Cb 0.45 -3.64 0.00 0.00 -1.54 0.00 0.00 39.78 35.05 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 -1.39 2.41 3.88 7.41 0.00 -1.26 -5.06 105.19 111.17 1i4k n GLY 51 Ca -0.01 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.52 0.61 1.61 -1.05 -0.91 -5.07 118.70 117.41 1i4k s GLU 52 Ca 0.00 -0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 54.56 1i4k s GLU 52 Cb 0.00 -3.15 -0.02 0.00 -0.44 0.00 0.00 34.13 30.51 1i4k s GLU 52 CO 0.00 0.73 1.13 0.08 0.95 0.00 0.00 175.26 178.14 1i4k s VAL 53 N -1.14 3.15 0.00 1.83 1.01 -1.26 -0.27 120.40 123.72 1i4k s VAL 53 Ca 0.20 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.80 1i4k s VAL 53 Cb -0.13 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1i4k s VAL 53 CO 0.10 -0.26 0.00 0.52 0.00 0.00 0.00 175.10 175.46 1i4k n VAL 54 N -1.94 0.00 -3.55 2.92 0.31 0.15 -4.81 118.33 111.40 1i4k n VAL 54 Ca 0.11 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.31 1i4k n VAL 54 Cb 0.51 -1.04 -0.05 0.00 -0.91 0.00 0.00 33.84 32.36 1i4k n VAL 54 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1i4k s ARG 55 N -1.99 1.07 -0.10 5.55 3.52 -1.22 -4.99 118.95 120.79 1i4k s ARG 55 Ca 0.00 -0.27 0.03 0.00 -0.13 0.00 0.00 55.73 55.36 1i4k s ARG 55 Cb 0.00 0.49 -0.01 0.00 -1.56 0.00 0.00 34.95 33.87 1i4k s ARG 55 CO 0.00 -0.40 -0.21 0.21 -0.81 0.00 0.00 175.30 174.09 1i4k s LYS 56 N -2.66 3.07 -0.01 5.12 2.20 -1.26 -1.54 119.74 124.66 1i4k s LYS 56 Ca -0.04 -0.82 -0.01 0.00 -0.36 0.00 0.00 55.97 54.74 1i4k s LYS 56 Cb -0.00 -2.38 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 1i4k s LYS 56 CO -0.03 0.23 0.03 0.14 -0.36 0.00 0.00 175.35 175.35 1i4k s VAL 57 N 0.25 -0.01 0.19 4.02 -7.23 0.13 -5.00 120.40 112.76 1i4k s VAL 57 Ca -0.14 0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.93 1i4k s VAL 57 Cb -0.17 -0.05 0.11 0.00 0.56 0.00 0.00 36.38 36.84 1i4k s VAL 57 CO 0.07 0.01 1.85 1.23 -0.31 0.00 0.00 175.10 177.96 1i4k h GLY 58 N 6.25 0.92 -4.21 2.32 0.00 -1.92 0.26 103.07 106.69 1i4k h GLY 58 Ca -0.27 -0.36 -0.12 0.00 0.00 0.00 0.00 47.33 46.58 1i4k h GLY 58 CO 0.49 0.35 -0.45 -1.35 0.00 0.00 0.00 176.54 175.58 1i4k s SER 59 N -5.82 0.06 -0.14 0.19 1.04 -1.25 0.73 113.70 108.51 1i4k s SER 59 Ca -0.13 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 55.85 1i4k s SER 59 Cb 0.14 0.25 0.05 0.00 0.10 0.00 0.00 66.02 66.55 1i4k s SER 59 CO 0.77 -0.49 0.36 0.68 0.98 0.00 0.00 173.24 175.54 1i4k s VAL 60 N -2.20 -0.02 -0.26 5.02 -7.23 -0.50 -4.96 120.40 110.26 1i4k s VAL 60 Ca -0.08 0.07 -0.10 0.00 -1.81 0.00 0.00 61.98 60.06 1i4k s VAL 60 Cb -0.03 -0.53 -0.05 0.00 0.56 0.00 0.00 36.38 36.34 1i4k s VAL 60 CO -0.02 0.03 0.15 -0.69 -0.31 0.00 0.00 175.10 174.26 1i4k s VAL 61 N 0.91 5.14 -0.16 1.32 1.01 -1.26 -1.44 120.40 125.91 1i4k s VAL 61 Ca -0.06 0.11 -0.01 0.00 0.00 0.00 0.00 61.98 62.02 1i4k s VAL 61 Cb -0.06 -3.42 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1i4k s VAL 61 CO -0.07 0.31 -0.13 -0.63 0.00 0.00 0.00 175.10 174.58 1i4k s ILE 62 N 1.41 2.81 0.01 2.22 1.01 0.23 -4.96 121.20 123.93 1i4k s ILE 62 Ca 0.07 -0.72 -0.30 0.00 0.00 0.00 0.00 60.65 59.70 1i4k s ILE 62 Cb -0.15 -2.20 -0.06 0.00 0.01 0.00 0.00 42.46 40.06 1i4k s ILE 62 CO 0.07 0.50 1.41 -0.13 0.00 0.00 0.00 174.94 176.79 1i4k s ARG 63 N 0.89 4.28 0.44 2.79 1.81 -1.26 -0.51 118.95 127.40 1i4k s ARG 63 Ca -0.03 1.98 0.26 0.00 -1.72 0.00 0.00 55.73 56.22 1i4k s ARG 63 Cb -0.15 -3.55 1.31 0.00 -0.45 0.00 0.00 34.95 32.11 1i4k s ARG 63 CO -0.01 -0.57 1.71 0.78 -0.68 0.00 0.00 175.30 176.54 1i4k h GLY 64 N 8.24 1.03 0.40 -3.53 0.00 -1.76 -0.88 103.07 106.57 1i4k h GLY 64 Ca -0.38 -0.13 0.14 0.00 0.00 0.00 0.00 47.33 46.96 1i4k h GLY 64 CO 0.90 -0.21 0.61 -1.80 0.00 0.00 0.00 176.54 176.04 1i4k h ASP 65 N 0.21 0.81 1.46 0.19 3.58 -1.89 -2.05 116.42 118.74 1i4k h ASP 65 Ca 0.69 0.06 -0.10 0.00 0.42 0.00 0.00 57.03 58.09 1i4k h ASP 65 Cb 2.09 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 43.02 1i4k h ASP 65 CO -0.29 0.39 -0.48 0.71 -2.88 0.00 0.00 179.24 176.69 1i4k h THR 66 N 0.85 0.84 -2.68 2.25 1.35 -1.55 -3.47 112.91 110.50 1i4k h THR 66 Ca 0.50 -2.13 -0.52 0.00 -0.55 0.00 0.00 66.41 63.70 1i4k h THR 66 Cb 0.66 2.38 0.04 0.00 -1.73 0.00 0.00 68.15 69.50 1i4k h THR 66 CO -0.27 0.47 1.00 -0.69 -0.25 0.00 0.00 175.52 175.77 1i4k s VAL 67 N -3.01 2.49 -0.26 6.82 1.01 -0.77 -2.29 120.40 124.38 1i4k s VAL 67 Ca 0.04 0.22 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1i4k s VAL 67 Cb 0.08 -3.14 -0.15 0.00 0.00 0.00 0.00 36.38 33.16 1i4k s VAL 67 CO 0.74 0.01 -0.26 0.52 0.00 0.00 0.00 175.10 176.11 1i4k n VAL 68 N 4.30 1.51 -3.53 2.92 0.31 0.46 -4.95 118.33 119.35 1i4k n VAL 68 Ca 0.16 -0.50 -0.12 0.00 -0.01 0.00 0.00 64.34 63.86 1i4k n VAL 68 Cb 0.38 -1.59 -0.04 0.00 -0.91 0.00 0.00 33.84 31.68 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 -2.52 -0.45 0.03 3.52 -0.12 -1.13 -5.02 117.98 112.29 1i4k s PHE 69 Ca -0.36 0.63 0.08 0.00 -0.05 0.00 0.00 56.93 57.23 1i4k s PHE 69 Cb 0.11 0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 42.94 1i4k s PHE 69 CO 0.57 -0.50 -0.24 0.08 -0.05 0.00 0.00 175.22 175.07 1i4k s VAL 70 N -1.87 2.31 -0.25 -2.49 1.01 -1.26 -1.21 120.40 116.64 1i4k s VAL 70 Ca -0.02 -1.27 -0.05 0.00 0.00 0.00 0.00 61.98 60.65 1i4k s VAL 70 Cb -0.01 -1.90 0.13 0.00 0.00 0.00 0.00 36.38 34.61 1i4k s VAL 70 CO -0.00 0.41 0.48 -0.55 0.00 0.00 0.00 175.10 175.44 1i4k s SER 71 N -1.15 -0.47 0.15 3.32 0.15 -0.29 -4.97 113.70 110.45 1i4k s SER 71 Ca 0.12 0.79 -0.34 0.00 0.70 0.00 0.00 55.95 57.23 1i4k s SER 71 Cb -0.10 1.59 -0.16 0.00 -1.71 0.00 0.00 66.02 65.64 1i4k s SER 71 CO 0.02 -0.26 1.16 -0.81 1.20 0.00 0.00 173.24 174.55 1i4k n PRO 72 N 5.40 1.05 0.00 5.44 -0.04 -1.26 -0.80 135.00 144.79 1i4k n PRO 72 Ca -0.06 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.87 1i4k n PRO 72 Cb 0.50 -1.87 0.08 0.00 -0.04 0.00 0.00 33.50 32.17 1i4k n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46