#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 1.01 0.32 -0.52 3.03 -1.26 -5.06 118.95 116.47 1i4k s ARG 4 Ca 0.00 -0.30 0.06 0.00 2.03 0.00 0.00 55.73 57.52 1i4k s ARG 4 Cb 0.00 -0.94 0.88 0.00 -1.03 0.00 0.00 34.95 33.87 1i4k s ARG 4 CO 0.00 0.09 1.59 -1.35 -1.13 0.00 0.00 175.30 174.50 1i4k h PRO 5 N 6.48 0.05 -0.16 3.89 0.11 -2.06 -0.93 132.00 139.38 1i4k h PRO 5 Ca -0.33 -0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.79 1i4k h PRO 5 Cb 1.17 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1i4k h PRO 5 CO 0.49 0.03 0.11 -0.07 -0.21 0.00 0.00 178.00 178.35 1i4k h LEU 6 N 0.05 0.12 -0.88 2.35 -0.00 -2.00 -2.06 115.31 112.89 1i4k h LEU 6 Ca 0.65 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 58.41 1i4k h LEU 6 Cb 1.44 -0.03 -0.02 0.00 -0.00 0.00 0.00 40.66 42.05 1i4k h LEU 6 CO -0.83 0.08 -0.53 0.44 -0.00 0.00 0.00 178.44 177.60 1i4k h ASP 7 N 0.14 0.07 1.33 -0.43 3.32 -1.60 -1.57 116.42 117.68 1i4k h ASP 7 Ca 0.06 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1i4k h ASP 7 Cb 0.09 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.62 1i4k h ASP 7 CO -0.01 0.59 -0.03 0.58 -1.72 0.00 0.00 179.24 178.65 1i4k h VAL 8 N 0.05 0.07 0.07 -1.35 2.07 -1.45 0.16 116.25 115.86 1i4k h VAL 8 Ca -0.00 -0.76 -0.27 0.00 0.82 0.00 0.00 66.70 66.49 1i4k h VAL 8 Cb 0.96 1.71 0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1i4k h VAL 8 CO 0.07 0.03 -1.13 -0.07 0.02 0.00 0.00 177.57 176.49 1i4k h LEU 9 N 0.00 0.73 -0.69 2.57 3.38 -1.15 -3.09 115.31 117.06 1i4k h LEU 9 Ca -0.00 -0.65 -0.14 0.00 0.09 0.00 0.00 57.88 57.19 1i4k h LEU 9 Cb 0.71 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 1i4k h LEU 9 CO 0.00 1.46 -0.65 -1.13 0.09 0.00 0.00 178.44 178.21 1i4k h ASN 10 N 0.26 0.03 0.00 -0.43 -0.73 -0.89 -2.61 115.58 111.20 1i4k h ASN 10 Ca -0.14 -0.02 0.00 0.00 1.87 0.00 0.00 56.30 58.01 1i4k h ASN 10 Cb 1.80 -0.01 0.00 0.00 0.27 0.00 0.00 38.32 40.38 1i4k h ASN 10 CO 0.21 0.67 0.00 -1.14 -0.37 0.00 0.00 177.43 176.80 1i4k n ARG 11 N -3.77 0.79 0.00 6.67 0.63 0.51 -2.80 116.66 118.70 1i4k n ARG 11 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1i4k n ARG 11 Cb 0.64 -1.18 0.00 0.00 0.45 0.00 0.00 32.46 32.38 1i4k n ARG 11 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1i4k n SER 12 N -0.23 0.21 -4.74 6.15 2.88 -0.99 -5.01 113.62 111.89 1i4k n SER 12 Ca 0.00 -1.08 -0.42 0.00 -1.33 0.00 0.00 58.87 56.04 1i4k n SER 12 Cb 0.09 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.53 1i4k n SER 12 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i4k n LEU 13 N -0.04 4.31 -1.16 2.46 4.77 -1.12 -1.72 117.00 124.50 1i4k n LEU 13 Ca 0.00 1.16 -0.12 0.00 -0.03 0.00 0.00 56.01 57.02 1i4k n LEU 13 Cb 0.39 -1.58 -0.03 0.00 -2.33 0.00 0.00 43.42 39.87 1i4k n LEU 13 CO 0.00 0.08 -0.14 0.29 -1.33 0.00 0.00 177.39 176.30 1i4k n LYS 14 N 1.82 -0.93 -4.37 3.23 5.02 0.27 -4.97 118.16 118.22 1i4k n LYS 14 Ca 0.07 0.80 -0.19 0.00 -2.02 0.00 0.00 58.31 56.97 1i4k n LYS 14 Cb 0.37 -4.90 -0.10 0.00 -0.02 0.00 0.00 35.03 30.38 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 -2.68 2.54 0.21 4.39 0.01 -0.70 -4.91 113.70 112.56 1i4k s SER 15 Ca 0.00 -1.10 -0.30 0.00 1.31 0.00 0.00 55.95 55.86 1i4k s SER 15 Cb 0.00 -0.13 -0.08 0.00 0.21 0.00 0.00 66.02 66.02 1i4k s SER 15 CO 0.00 -0.28 1.04 -2.16 0.41 0.00 0.00 173.24 172.25 1i4k s PRO 16 N -3.70 4.70 0.03 12.44 0.04 -1.26 -1.20 135.00 146.04 1i4k s PRO 16 Ca 0.25 1.64 -0.01 0.00 0.04 0.00 0.00 61.00 62.93 1i4k s PRO 16 Cb 0.02 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1i4k s PRO 16 CO 0.09 0.26 -0.02 0.14 0.04 0.00 0.00 177.00 177.50 1i4k s VAL 17 N -0.73 0.14 -0.19 -0.36 -7.23 0.32 -1.83 120.40 110.52 1i4k s VAL 17 Ca 0.45 -1.12 -0.04 0.00 -1.81 0.00 0.00 61.98 59.47 1i4k s VAL 17 Cb -0.28 -0.58 -0.02 0.00 0.56 0.00 0.00 36.38 36.06 1i4k s VAL 17 CO 0.35 -0.61 -0.03 -0.63 -0.31 0.00 0.00 175.10 173.87 1i4k s ILE 18 N -2.07 3.73 -0.11 -0.62 1.01 0.19 -2.59 121.20 120.75 1i4k s ILE 18 Ca -0.10 -0.39 0.03 0.00 0.00 0.00 0.00 60.65 60.18 1i4k s ILE 18 Cb -0.05 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.75 1i4k s ILE 18 CO -0.03 0.45 -0.20 -0.69 0.00 0.00 0.00 174.94 174.46 1i4k s VAL 19 N 0.93 1.84 -0.21 2.92 1.01 -0.16 -1.09 120.40 125.64 1i4k s VAL 19 Ca 0.00 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.08 1i4k s VAL 19 Cb -0.14 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 1i4k s VAL 19 CO 0.01 0.51 -0.04 -0.60 0.00 0.00 0.00 175.10 174.98 1i4k s ARG 20 N 0.61 3.43 0.68 2.72 3.52 -0.98 0.27 118.95 129.19 1i4k s ARG 20 Ca -0.13 -0.61 0.02 0.00 -0.13 0.00 0.00 55.73 54.87 1i4k s ARG 20 Cb -0.17 -2.98 0.11 0.00 -1.56 0.00 0.00 34.95 30.36 1i4k s ARG 20 CO 0.04 -0.10 0.93 -0.51 -0.81 0.00 0.00 175.30 174.85 1i4k s LEU 21 N 1.24 3.03 0.27 -0.88 1.43 -0.13 0.11 118.68 123.75 1i4k s LEU 21 Ca 0.03 -0.44 -0.29 0.00 -1.03 0.00 0.00 54.13 52.39 1i4k s LEU 21 Cb -0.14 -1.97 -0.09 0.00 0.03 0.00 0.00 46.19 44.01 1i4k s LEU 21 CO -0.01 -1.70 1.03 -0.54 0.23 0.00 0.00 176.35 175.36 1i4k s LYS 22 N -5.01 4.71 0.00 1.70 1.02 0.32 -3.30 119.74 119.18 1i4k s LYS 22 Ca 0.65 1.67 0.00 0.00 0.02 0.00 0.00 55.97 58.31 1i4k s LYS 22 Cb -0.06 -3.20 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 1i4k s LYS 22 CO 0.43 0.32 0.00 0.41 -0.92 0.00 0.00 175.35 175.59 1i4k n GLY 23 N 1.28 0.53 0.22 -3.33 0.00 -1.26 -4.40 105.19 98.23 1i4k n GLY 23 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.69 2.98 3.34 -0.02 0.00 -1.21 -5.04 105.19 103.55 1i4k n GLY 24 Ca 0.00 -0.27 -0.43 0.00 0.00 0.00 0.00 46.02 45.31 1i4k n GLY 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1i4k n ARG 25 N 0.00 0.07 -4.08 1.61 0.63 -1.26 -4.67 116.66 108.97 1i4k n ARG 25 Ca 0.00 0.03 -0.11 0.00 -0.92 0.00 0.00 57.85 56.84 1i4k n ARG 25 Cb 0.00 -1.06 -0.11 0.00 0.45 0.00 0.00 32.46 31.74 1i4k n ARG 25 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 1i4k s GLU 26 N -1.07 0.57 0.04 -0.14 2.12 0.32 -0.96 118.70 119.59 1i4k s GLU 26 Ca 0.61 -0.90 0.04 0.00 0.36 0.00 0.00 54.97 55.07 1i4k s GLU 26 Cb -0.70 -0.18 -0.02 0.00 0.26 0.00 0.00 34.13 33.49 1i4k s GLU 26 CO 0.61 0.01 -0.11 -0.06 -0.54 0.00 0.00 175.26 175.17 1i4k s PHE 27 N -2.08 0.95 -0.05 5.30 0.40 0.14 0.11 117.98 122.75 1i4k s PHE 27 Ca -0.05 -0.38 0.02 0.00 -0.60 0.00 0.00 56.93 55.92 1i4k s PHE 27 Cb -0.05 -0.56 0.02 0.00 0.51 0.00 0.00 43.02 42.93 1i4k s PHE 27 CO -0.02 -0.00 -0.08 1.03 0.70 0.00 0.00 175.22 176.85 1i4k s ARG 28 N -1.22 1.12 0.00 0.44 0.52 -0.68 -0.99 118.95 118.14 1i4k s ARG 28 Ca -0.02 -0.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.95 1i4k s ARG 28 Cb -0.08 -1.02 0.00 0.00 0.52 0.00 0.00 34.95 34.37 1i4k s ARG 28 CO 0.01 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.73 1i4k n GLY 29 N 3.83 -1.21 3.55 -3.53 0.00 -1.07 0.03 105.19 106.78 1i4k n GLY 29 Ca -0.23 -0.95 -0.41 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.39 5.06 -0.36 2.61 2.01 -0.63 -0.52 115.64 121.41 1i4k s THR 30 Ca 0.00 0.27 -0.27 0.00 0.31 0.00 0.00 61.69 62.00 1i4k s THR 30 Cb 0.00 -3.92 -0.06 0.00 0.01 0.00 0.00 72.50 68.52 1i4k s THR 30 CO 0.00 -0.18 2.33 -0.11 -0.69 0.00 0.00 174.62 175.97 1i4k n LEU 31 N 5.64 2.75 -0.61 4.42 7.94 -0.34 -1.54 117.00 135.26 1i4k n LEU 31 Ca -0.06 -0.17 0.07 0.00 -1.11 0.00 0.00 56.01 54.74 1i4k n LEU 31 Cb 0.49 -1.57 0.09 0.00 0.53 0.00 0.00 43.42 42.96 1i4k n LEU 31 CO 0.44 -1.15 0.51 -0.67 -1.11 0.00 0.00 177.39 175.41 1i4k n ASP 32 N 13.90 2.37 0.00 1.96 2.03 -0.21 0.93 116.55 137.54 1i4k n ASP 32 Ca 0.34 -1.67 0.00 0.00 0.52 0.00 0.00 54.79 53.98 1i4k n ASP 32 Cb 0.50 -0.06 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.79 1.25 3.66 0.27 0.00 -1.16 -4.93 105.19 105.07 1i4k n GLY 33 Ca 0.09 -0.71 -0.05 0.00 0.00 0.00 0.00 46.02 45.35 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 -0.21 0.33 1.61 -0.85 -1.26 -1.83 117.35 113.15 1i4k s TYR 34 Ca 0.00 -0.03 0.01 0.00 -0.52 0.00 0.00 57.07 56.53 1i4k s TYR 34 Cb 0.00 0.60 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 1i4k s TYR 34 CO 0.00 -0.72 0.40 0.16 -1.52 0.00 0.00 175.55 173.87 1i4k s ASP 35 N -2.78 1.15 0.26 -0.18 1.47 -1.10 -4.95 116.67 110.54 1i4k s ASP 35 Ca 0.10 -1.58 -0.07 0.00 1.18 0.00 0.00 52.55 52.18 1i4k s ASP 35 Cb -0.01 0.62 0.46 0.00 -0.34 0.00 0.00 42.92 43.65 1i4k s ASP 35 CO -0.02 -1.21 1.59 0.40 0.68 0.00 0.00 175.17 176.62 1i4k h ILE 36 N 2.13 0.16 0.00 2.11 5.03 -2.03 0.31 117.51 125.22 1i4k h ILE 36 Ca -0.27 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1i4k h ILE 36 Cb 1.24 0.13 0.00 0.00 -3.03 0.00 0.00 36.82 35.16 1i4k h ILE 36 CO 0.38 0.00 0.00 1.41 -0.68 0.00 0.00 178.15 179.27 1i4k n HIS 37 N -5.50 0.69 -1.10 1.37 8.25 -1.26 -4.85 115.22 112.81 1i4k n HIS 37 Ca 0.15 0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.90 1i4k n HIS 37 Cb 0.50 -0.96 0.00 0.00 1.12 0.00 0.00 29.99 30.65 1i4k n HIS 37 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 1i4k n MET 38 N -2.14 0.00 -2.30 -0.41 2.81 0.11 -4.35 117.12 110.84 1i4k n MET 38 Ca 0.02 0.19 -0.37 0.00 -1.81 0.00 0.00 57.70 55.73 1i4k n MET 38 Cb 0.18 -2.77 -0.01 0.00 -0.71 0.00 0.00 33.22 29.90 1i4k n MET 38 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1i4k s ASN 39 N -2.74 6.23 0.19 7.83 0.01 -1.26 -3.57 114.94 121.63 1i4k s ASN 39 Ca 0.00 2.26 0.09 0.00 -0.71 0.00 0.00 52.86 54.50 1i4k s ASN 39 Cb 0.00 -2.60 -0.04 0.00 0.41 0.00 0.00 41.25 39.02 1i4k s ASN 39 CO 0.00 -0.87 -0.18 -0.76 -1.51 0.00 0.00 177.10 173.78 1i4k s LEU 40 N -3.01 2.48 -0.17 0.60 1.43 0.09 -2.73 118.68 117.37 1i4k s LEU 40 Ca 0.63 -0.91 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1i4k s LEU 40 Cb -0.27 -0.85 0.04 0.00 0.03 0.00 0.00 46.19 45.15 1i4k s LEU 40 CO 0.33 -0.04 -0.03 -0.69 0.23 0.00 0.00 176.35 176.15 1i4k s VAL 41 N -2.25 0.97 -0.07 -1.59 1.01 -0.76 -0.05 120.40 117.66 1i4k s VAL 41 Ca 0.19 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.59 1i4k s VAL 41 Cb -0.05 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.10 1i4k s VAL 41 CO 0.08 0.07 -0.06 -0.76 0.00 0.00 0.00 175.10 174.43 1i4k s LEU 42 N 1.69 3.24 -0.02 3.92 1.43 -0.91 -1.04 118.68 126.99 1i4k s LEU 42 Ca 0.00 0.00 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1i4k s LEU 42 Cb -0.15 -1.71 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 1i4k s LEU 42 CO -0.07 0.36 -0.11 -0.76 0.23 0.00 0.00 176.35 176.00 1i4k s LEU 43 N -0.79 2.96 -1.25 1.79 1.43 -0.59 -0.88 118.68 121.35 1i4k s LEU 43 Ca 0.12 -0.18 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 1i4k s LEU 43 Cb -0.11 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1i4k s LEU 43 CO 0.02 0.31 0.72 -0.67 0.23 0.00 0.00 176.35 176.95 1i4k n ASP 44 N 1.89 -2.68 -4.95 2.29 -0.08 -1.13 -1.61 116.55 110.29 1i4k n ASP 44 Ca -0.16 -0.88 -0.21 0.00 -1.51 0.00 0.00 54.79 52.03 1i4k n ASP 44 Cb 0.52 -3.91 -0.02 0.00 2.34 0.00 0.00 41.12 40.05 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 -3.62 3.90 -0.04 -1.67 0.00 -1.10 -4.45 121.76 114.78 1i4k s ALA 45 Ca 0.17 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.85 1i4k s ALA 45 Cb -0.05 -1.65 0.02 0.00 0.00 0.00 0.00 23.12 21.44 1i4k s ALA 45 CO 0.82 0.21 -0.05 -1.83 0.00 0.00 0.00 175.76 174.91 1i4k s GLU 46 N -3.98 0.84 -0.16 0.00 -1.05 0.10 -3.38 118.70 111.08 1i4k s GLU 46 Ca 0.35 -0.15 -0.21 0.00 -0.15 0.00 0.00 54.97 54.81 1i4k s GLU 46 Cb -0.09 -0.82 -0.03 0.00 -0.44 0.00 0.00 34.13 32.76 1i4k s GLU 46 CO 0.29 -0.03 0.63 -2.00 0.95 0.00 0.00 175.26 175.09 1i4k s GLU 47 N 0.68 4.28 0.02 -4.83 2.12 -0.72 -1.69 118.70 118.57 1i4k s GLU 47 Ca -0.09 0.65 0.05 0.00 0.36 0.00 0.00 54.97 55.94 1i4k s GLU 47 Cb -0.13 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 1i4k s GLU 47 CO 0.00 -0.12 -0.11 0.42 -0.54 0.00 0.00 175.26 174.92 1i4k s ILE 48 N 1.49 3.32 -0.25 -3.70 1.09 0.12 0.03 121.20 123.30 1i4k s ILE 48 Ca 0.30 -0.96 -0.03 0.00 -1.10 0.00 0.00 60.65 58.87 1i4k s ILE 48 Cb -0.16 -2.44 0.10 0.00 -1.06 0.00 0.00 42.46 38.91 1i4k s ILE 48 CO 0.12 0.35 0.20 -1.10 -0.10 0.00 0.00 174.94 174.42 1i4k s GLN 49 N -1.48 0.22 -0.32 2.79 -0.21 -0.64 -0.52 119.66 119.49 1i4k s GLN 49 Ca 0.17 -0.13 -0.11 0.00 0.02 0.00 0.00 55.36 55.31 1i4k s GLN 49 Cb -0.11 -1.10 0.01 0.00 1.00 0.00 0.00 33.01 32.81 1i4k s GLN 49 CO 0.07 -0.87 0.40 0.09 -2.12 0.00 0.00 175.29 172.87 1i4k n ASN 50 N 5.29 -6.61 0.00 5.90 3.02 -1.26 -4.26 115.26 117.34 1i4k n ASN 50 Ca -0.05 0.51 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1i4k n ASN 50 Cb 0.47 -4.40 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1i4k n GLY 51 N -0.23 1.81 3.62 7.41 0.00 -1.26 -4.93 105.19 111.61 1i4k n GLY 51 Ca 0.08 -0.12 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1i4k n GLY 51 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1i4k s GLU 52 N 0.00 1.98 0.87 1.61 2.12 -1.26 -5.08 118.70 118.95 1i4k s GLU 52 Ca 0.00 -2.20 -0.15 0.00 0.36 0.00 0.00 54.97 52.98 1i4k s GLU 52 Cb 0.00 -1.21 -0.04 0.00 0.26 0.00 0.00 34.13 33.13 1i4k s GLU 52 CO 0.00 -0.29 0.11 0.28 -0.54 0.00 0.00 175.26 174.82 1i4k n VAL 53 N -1.01 0.49 0.00 3.70 0.31 -1.26 -1.62 118.33 118.93 1i4k n VAL 53 Ca -0.10 -0.34 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1i4k n VAL 53 Cb 0.66 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 1i4k n VAL 53 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1i4k n VAL 54 N -2.87 0.00 -3.91 2.52 0.31 0.11 -4.60 118.33 109.89 1i4k n VAL 54 Ca 0.06 0.00 0.01 0.00 -0.01 0.00 0.00 64.34 64.39 1i4k n VAL 54 Cb 0.53 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.47 1i4k n VAL 54 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1i4k s ARG 55 N -0.60 0.68 -0.39 5.55 1.70 -1.15 -5.02 118.95 119.73 1i4k s ARG 55 Ca 0.00 -0.43 0.06 0.00 -0.47 0.00 0.00 55.73 54.89 1i4k s ARG 55 Cb 0.00 0.19 0.17 0.00 -0.57 0.00 0.00 34.95 34.74 1i4k s ARG 55 CO 0.00 -0.32 0.52 0.15 -1.08 0.00 0.00 175.30 174.57 1i4k s LYS 56 N -2.14 0.72 0.24 3.89 1.02 -1.26 -1.76 119.74 120.46 1i4k s LYS 56 Ca 0.25 -0.46 0.03 0.00 0.02 0.00 0.00 55.97 55.81 1i4k s LYS 56 Cb -0.00 -0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 37.03 1i4k s LYS 56 CO 0.01 -1.18 0.40 0.14 -0.92 0.00 0.00 175.35 173.79 1i4k s VAL 57 N 1.74 5.23 0.00 3.17 -7.23 -1.22 -4.98 120.40 117.11 1i4k s VAL 57 Ca 0.16 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 1i4k s VAL 57 Cb -0.09 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.03 1i4k s VAL 57 CO -0.07 -0.32 0.00 0.61 -0.31 0.00 0.00 175.10 175.01 1i4k n GLY 58 N -1.24 -1.34 3.82 2.32 0.00 -1.26 -3.25 105.19 104.23 1i4k n GLY 58 Ca -0.07 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1i4k n GLY 58 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1i4k s SER 59 N -1.80 6.75 -0.23 1.61 1.04 -1.26 -2.72 113.70 117.10 1i4k s SER 59 Ca 0.00 1.74 -0.03 0.00 0.48 0.00 0.00 55.95 58.14 1i4k s SER 59 Cb 0.00 -2.54 0.11 0.00 0.10 0.00 0.00 66.02 63.68 1i4k s SER 59 CO 0.00 -0.49 0.25 -0.69 0.98 0.00 0.00 173.24 173.29 1i4k s VAL 60 N -2.17 -0.36 -0.31 5.02 1.01 -0.06 -4.95 120.40 118.58 1i4k s VAL 60 Ca 0.63 -0.21 -0.25 0.00 0.00 0.00 0.00 61.98 62.16 1i4k s VAL 60 Cb -0.11 -0.77 0.01 0.00 0.00 0.00 0.00 36.38 35.51 1i4k s VAL 60 CO 0.16 -0.27 0.87 -0.69 0.00 0.00 0.00 175.10 175.18 1i4k s VAL 61 N 2.35 4.72 -0.12 2.92 1.01 -1.25 -2.13 120.40 127.89 1i4k s VAL 61 Ca 0.08 1.34 -0.03 0.00 0.00 0.00 0.00 61.98 63.38 1i4k s VAL 61 Cb -0.15 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.98 1i4k s VAL 61 CO -0.17 -0.31 -0.02 -0.63 0.00 0.00 0.00 175.10 173.96 1i4k s ILE 62 N 3.14 4.05 0.17 2.22 1.01 0.93 -4.93 121.20 127.79 1i4k s ILE 62 Ca 0.36 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.38 1i4k s ILE 62 Cb -0.14 -2.74 -0.09 0.00 0.01 0.00 0.00 42.46 39.51 1i4k s ILE 62 CO 0.13 0.54 1.35 -0.13 0.00 0.00 0.00 174.94 176.83 1i4k s ARG 63 N -0.18 4.35 0.29 2.79 1.81 -1.26 -0.73 118.95 126.02 1i4k s ARG 63 Ca 0.04 2.08 0.02 0.00 -1.72 0.00 0.00 55.73 56.15 1i4k s ARG 63 Cb -0.13 -3.20 0.56 0.00 -0.45 0.00 0.00 34.95 31.73 1i4k s ARG 63 CO 0.02 -0.33 1.87 0.78 -0.68 0.00 0.00 175.30 176.96 1i4k h GLY 64 N 5.83 1.48 -0.84 -3.53 0.00 -1.75 -2.57 103.07 101.69 1i4k h GLY 64 Ca -0.44 -0.41 0.33 0.00 0.00 0.00 0.00 47.33 46.81 1i4k h GLY 64 CO 0.80 0.22 0.33 -1.80 0.00 0.00 0.00 176.54 176.09 1i4k h ASP 65 N 1.00 0.03 0.73 0.19 -0.00 -1.88 0.14 116.42 116.63 1i4k h ASP 65 Ca 0.45 0.25 0.00 0.00 -0.00 0.00 0.00 57.03 57.73 1i4k h ASP 65 Cb 0.39 0.32 0.00 0.00 -0.00 0.00 0.00 39.33 40.04 1i4k h ASP 65 CO -0.21 -0.33 -0.37 0.35 -0.00 0.00 0.00 179.24 178.68 1i4k n THR 66 N -5.30 0.08 -2.47 2.25 -2.24 -0.97 -4.89 114.28 100.73 1i4k n THR 66 Ca 0.30 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.61 1i4k n THR 66 Cb 0.98 -0.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.14 1i4k n THR 66 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1i4k s VAL 67 N -3.03 4.10 -0.13 2.28 1.01 0.49 -0.52 120.40 124.61 1i4k s VAL 67 Ca 0.11 1.55 0.05 0.00 0.00 0.00 0.00 61.98 63.69 1i4k s VAL 67 Cb 0.17 -3.99 -0.24 0.00 0.00 0.00 0.00 36.38 32.32 1i4k s VAL 67 CO 0.65 0.15 0.34 0.52 0.00 0.00 0.00 175.10 176.76 1i4k n VAL 68 N 3.65 1.62 -3.60 2.92 0.31 0.30 -4.90 118.33 118.62 1i4k n VAL 68 Ca 0.07 -0.72 -0.00 0.00 -0.01 0.00 0.00 64.34 63.68 1i4k n VAL 68 Cb 0.47 -1.25 -0.01 0.00 -0.91 0.00 0.00 33.84 32.14 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 -2.56 -0.04 0.04 3.52 -0.12 -1.22 -5.02 117.98 112.59 1i4k s PHE 69 Ca -0.16 0.00 0.04 0.00 -0.05 0.00 0.00 56.93 56.76 1i4k s PHE 69 Cb 0.07 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.96 1i4k s PHE 69 CO 0.77 -0.11 -0.11 0.08 -0.05 0.00 0.00 175.22 175.81 1i4k s VAL 70 N -2.19 0.83 -0.12 -2.49 1.01 -1.26 -2.32 120.40 113.85 1i4k s VAL 70 Ca 0.13 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.88 1i4k s VAL 70 Cb 0.03 -0.80 0.05 0.00 0.00 0.00 0.00 36.38 35.66 1i4k s VAL 70 CO -0.04 -0.17 0.54 -0.94 0.00 0.00 0.00 175.10 174.49 1i4k s SER 71 N -1.31 -0.52 0.49 3.32 1.04 -0.25 -4.97 113.70 111.49 1i4k s SER 71 Ca -0.03 0.80 -0.22 0.00 0.48 0.00 0.00 55.95 56.98 1i4k s SER 71 Cb -0.08 0.80 -0.07 0.00 0.10 0.00 0.00 66.02 66.77 1i4k s SER 71 CO 0.01 -0.37 1.16 -2.16 0.98 0.00 0.00 173.24 172.86 1i4k s PRO 72 N -0.47 3.60 0.00 4.02 0.04 -1.26 0.55 135.00 141.48 1i4k s PRO 72 Ca -0.06 1.72 0.28 0.00 0.04 0.00 0.00 61.00 62.98 1i4k s PRO 72 Cb -0.03 -2.26 0.96 0.00 0.04 0.00 0.00 34.50 33.21 1i4k s PRO 72 CO 0.04 -0.67 1.69 0.00 0.04 0.00 0.00 177.00 178.11