#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4k n ARG 4 N 0.00 0.12 0.21 -0.52 1.74 -1.26 -4.88 116.66 112.07 1i4k n ARG 4 Ca 0.00 0.06 0.09 0.00 -0.77 0.00 0.00 57.85 57.23 1i4k n ARG 4 Cb 0.00 -1.36 0.31 0.00 -1.02 0.00 0.00 32.46 30.39 1i4k n ARG 4 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 1i4k h PRO 5 N -0.40 0.00 0.00 5.56 0.11 -2.04 -3.00 132.00 132.22 1i4k h PRO 5 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1i4k h PRO 5 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 1i4k h PRO 5 CO 0.38 0.21 0.00 1.28 -0.21 0.00 0.00 178.00 179.66 1i4k n LEU 6 N -3.24 0.14 0.12 2.35 4.77 -1.26 -2.33 117.00 117.55 1i4k n LEU 6 Ca 0.02 0.52 -0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1i4k n LEU 6 Cb 0.51 -0.48 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1i4k n LEU 6 CO 0.34 -0.13 0.41 0.44 -1.33 0.00 0.00 177.39 177.12 1i4k h ASP 7 N 0.00 0.00 0.18 -1.43 3.32 -1.88 -2.93 116.42 113.68 1i4k h ASP 7 Ca 0.00 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.88 1i4k h ASP 7 Cb 0.45 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.99 1i4k h ASP 7 CO 0.00 0.64 -0.64 0.58 -1.72 0.00 0.00 179.24 178.10 1i4k h VAL 8 N 0.00 1.36 -0.27 -1.35 2.07 -1.62 -2.92 116.25 113.52 1i4k h VAL 8 Ca -0.01 -1.98 -0.12 0.00 0.82 0.00 0.00 66.70 65.41 1i4k h VAL 8 Cb 1.40 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1i4k h VAL 8 CO 0.08 0.60 -0.34 -0.07 0.02 0.00 0.00 177.57 177.86 1i4k h LEU 9 N 0.32 0.62 -1.26 2.57 3.38 -1.56 -2.83 115.31 116.54 1i4k h LEU 9 Ca -0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.66 1i4k h LEU 9 Cb 1.19 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.75 1i4k h LEU 9 CO 0.11 0.91 -0.01 -1.13 0.09 0.00 0.00 178.44 178.41 1i4k h ASN 10 N 0.50 0.45 0.51 -0.43 -0.73 -1.40 -1.65 115.58 112.83 1i4k h ASN 10 Ca 0.05 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.14 1i4k h ASN 10 Cb 0.83 -0.12 0.00 0.00 0.27 0.00 0.00 38.32 39.31 1i4k h ASN 10 CO 0.07 0.53 0.00 -1.14 -0.37 0.00 0.00 177.43 176.52 1i4k n ARG 11 N -4.29 0.36 -0.05 6.67 0.63 -1.08 -3.07 116.66 115.84 1i4k n ARG 11 Ca 0.01 0.04 0.03 0.00 -0.92 0.00 0.00 57.85 57.01 1i4k n ARG 11 Cb 0.24 -1.50 0.06 0.00 0.45 0.00 0.00 32.46 31.71 1i4k n ARG 11 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1i4k n SER 12 N -1.29 2.00 -4.50 6.15 7.64 -0.65 -5.02 113.62 117.95 1i4k n SER 12 Ca 0.12 -1.61 -0.31 0.00 1.01 0.00 0.00 58.87 58.08 1i4k n SER 12 Cb 0.21 -0.06 0.18 0.00 -1.01 0.00 0.00 64.21 63.53 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 0.25 0.52 -4.29 -3.43 4.77 -1.03 -2.87 117.00 110.91 1i4k n LEU 13 Ca 0.05 0.19 -0.33 0.00 -0.03 0.00 0.00 56.01 55.89 1i4k n LEU 13 Cb 0.25 -1.28 -0.08 0.00 -2.33 0.00 0.00 43.42 39.97 1i4k n LEU 13 CO 0.04 -2.95 -0.44 2.29 -1.33 0.00 0.00 177.39 175.00 1i4k n LYS 14 N -3.39 -0.84 -3.57 3.23 2.85 0.53 -4.87 118.16 112.09 1i4k n LYS 14 Ca 0.07 0.08 -0.12 0.00 -1.05 0.00 0.00 58.31 57.29 1i4k n LYS 14 Cb 0.54 -3.43 -0.06 0.00 -0.65 0.00 0.00 35.03 31.44 1i4k n LYS 14 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1i4k s SER 15 N -4.28 -0.46 0.45 -5.58 1.04 -1.14 -4.93 113.70 98.80 1i4k s SER 15 Ca 0.06 0.57 -0.25 0.00 0.48 0.00 0.00 55.95 56.81 1i4k s SER 15 Cb -0.04 0.46 -0.09 0.00 0.10 0.00 0.00 66.02 66.46 1i4k s SER 15 CO 1.00 -0.38 1.32 -2.65 0.98 0.00 0.00 173.24 173.51 1i4k n PRO 16 N 1.01 1.97 -3.68 4.02 -0.02 -1.26 -1.51 135.00 135.54 1i4k n PRO 16 Ca -0.13 0.70 -0.13 0.00 -2.02 0.00 0.00 63.50 61.93 1i4k n PRO 16 Cb 0.57 -2.48 -0.06 0.00 -0.02 0.00 0.00 33.50 31.51 1i4k n PRO 16 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1i4k s VAL 17 N -1.22 0.06 -0.15 -1.45 -7.23 0.27 -0.74 120.40 109.94 1i4k s VAL 17 Ca 0.63 -0.49 -0.06 0.00 -1.81 0.00 0.00 61.98 60.25 1i4k s VAL 17 Cb -0.48 -0.95 -0.04 0.00 0.56 0.00 0.00 36.38 35.48 1i4k s VAL 17 CO 0.56 -0.27 0.04 -0.63 -0.31 0.00 0.00 175.10 174.49 1i4k s ILE 18 N -2.48 4.62 -0.24 -0.62 1.01 0.56 -2.43 121.20 121.62 1i4k s ILE 18 Ca -0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 1i4k s ILE 18 Cb -0.01 -3.04 0.07 0.00 0.01 0.00 0.00 42.46 39.49 1i4k s ILE 18 CO -0.02 0.51 -0.00 -0.69 0.00 0.00 0.00 174.94 174.74 1i4k s VAL 19 N -0.04 1.19 -0.07 2.92 1.01 0.11 0.19 120.40 125.71 1i4k s VAL 19 Ca 0.05 -1.11 -0.20 0.00 0.00 0.00 0.00 61.98 60.72 1i4k s VAL 19 Cb -0.12 -1.60 -0.04 0.00 0.00 0.00 0.00 36.38 34.61 1i4k s VAL 19 CO 0.01 -0.23 0.58 -0.60 0.00 0.00 0.00 175.10 174.86 1i4k s ARG 20 N 1.54 4.35 0.37 2.72 3.52 -0.35 -1.62 118.95 129.48 1i4k s ARG 20 Ca -0.02 0.66 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 1i4k s ARG 20 Cb -0.18 -3.41 -0.05 0.00 -1.56 0.00 0.00 34.95 29.75 1i4k s ARG 20 CO -0.09 0.20 0.13 -0.51 -0.81 0.00 0.00 175.30 174.21 1i4k s LEU 21 N 0.42 3.12 0.31 -0.88 1.43 0.54 0.48 118.68 124.10 1i4k s LEU 21 Ca 0.31 -0.97 -0.29 0.00 -1.03 0.00 0.00 54.13 52.14 1i4k s LEU 21 Cb -0.17 -1.50 -0.10 0.00 0.03 0.00 0.00 46.19 44.45 1i4k s LEU 21 CO 0.15 -0.39 1.42 -0.54 0.23 0.00 0.00 176.35 177.21 1i4k s LYS 22 N -3.84 4.25 0.00 1.70 1.02 0.19 -2.58 119.74 120.48 1i4k s LYS 22 Ca 0.38 2.36 0.00 0.00 0.02 0.00 0.00 55.97 58.73 1i4k s LYS 22 Cb 0.01 -3.06 0.00 0.00 -0.52 0.00 0.00 37.83 34.26 1i4k s LYS 22 CO 0.22 -0.39 0.00 0.41 -0.92 0.00 0.00 175.35 174.67 1i4k n GLY 23 N 1.36 3.01 0.00 -3.33 0.00 -1.26 -4.41 105.19 100.55 1i4k n GLY 23 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.40 1.09 3.84 -0.02 0.00 -1.07 -4.97 105.19 102.66 1i4k n GLY 24 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.74 4.04 0.23 1.61 3.52 -1.24 -4.25 118.95 122.13 1i4k s ARG 25 Ca 0.00 0.83 0.03 0.00 -0.13 0.00 0.00 55.73 56.46 1i4k s ARG 25 Cb 0.00 -2.30 -0.05 0.00 -1.56 0.00 0.00 34.95 31.04 1i4k s ARG 25 CO 0.00 0.00 0.01 -1.21 -0.81 0.00 0.00 175.30 173.29 1i4k s GLU 26 N -3.34 1.34 -0.14 5.12 2.02 -0.29 -0.34 118.70 123.08 1i4k s GLU 26 Ca 0.57 -1.69 -0.10 0.00 0.02 0.00 0.00 54.97 53.78 1i4k s GLU 26 Cb -0.10 -0.56 0.04 0.00 0.10 0.00 0.00 34.13 33.62 1i4k s GLU 26 CO 0.20 -0.13 0.34 -0.06 0.02 0.00 0.00 175.26 175.63 1i4k s PHE 27 N -3.47 -0.44 -0.20 1.61 0.40 -0.64 -2.15 117.98 113.09 1i4k s PHE 27 Ca 0.30 1.01 -0.00 0.00 -0.60 0.00 0.00 56.93 57.63 1i4k s PHE 27 Cb 0.06 0.15 0.05 0.00 0.51 0.00 0.00 43.02 43.80 1i4k s PHE 27 CO 0.09 -0.24 -0.04 1.03 0.70 0.00 0.00 175.22 176.76 1i4k s ARG 28 N 0.81 1.40 0.25 0.44 0.52 -0.85 -0.71 118.95 120.81 1i4k s ARG 28 Ca -0.05 -0.71 -0.09 0.00 -0.52 0.00 0.00 55.73 54.35 1i4k s ARG 28 Cb -0.06 -2.29 0.04 0.00 0.52 0.00 0.00 34.95 33.16 1i4k s ARG 28 CO -0.06 -0.54 0.50 0.41 0.02 0.00 0.00 175.30 175.64 1i4k n GLY 29 N 4.81 1.36 3.77 -3.53 0.00 -1.02 -0.71 105.19 109.87 1i4k n GLY 29 Ca -0.12 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 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 -2.43 4.74 -0.57 2.61 2.01 0.24 -0.57 115.64 121.67 1i4k s THR 30 Ca 0.10 1.42 -0.28 0.00 0.31 0.00 0.00 61.69 63.25 1i4k s THR 30 Cb -0.03 -4.01 0.03 0.00 0.01 0.00 0.00 72.50 68.50 1i4k s THR 30 CO 0.08 0.45 1.15 -0.22 -0.69 0.00 0.00 174.62 175.38 1i4k s LEU 31 N -0.48 3.57 0.05 4.42 2.96 -0.57 -0.44 118.68 128.19 1i4k s LEU 31 Ca 0.33 0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.35 1i4k s LEU 31 Cb -0.20 -3.14 -0.24 0.00 0.50 0.00 0.00 46.19 43.11 1i4k s LEU 31 CO 0.21 -1.42 1.03 -0.78 -1.32 0.00 0.00 176.35 174.07 1i4k h ASP 32 N 9.48 0.14 -2.07 3.68 3.58 -1.53 0.15 116.42 129.85 1i4k h ASP 32 Ca -0.25 -0.18 0.31 0.00 0.42 0.00 0.00 57.03 57.33 1i4k h ASP 32 Cb 1.06 -0.05 -0.06 0.00 1.72 0.00 0.00 39.33 42.00 1i4k h ASP 32 CO 1.17 1.15 0.83 0.61 -2.88 0.00 0.00 179.24 180.12 1i4k n GLY 33 N 1.49 0.27 3.84 -0.78 0.00 -1.23 -4.79 105.19 103.99 1i4k n GLY 33 Ca -0.08 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.10 0.01 0.11 1.61 -0.85 -1.26 -2.22 117.35 112.66 1i4k s TYR 34 Ca 0.28 -0.26 0.02 0.00 -0.52 0.00 0.00 57.07 56.60 1i4k s TYR 34 Cb -0.01 0.62 -0.01 0.00 0.38 0.00 0.00 41.96 42.94 1i4k s TYR 34 CO -0.00 -0.59 0.09 -0.40 -1.52 0.00 0.00 175.55 173.12 1i4k n ASP 35 N -0.93 -0.13 0.23 -0.18 5.68 -1.15 -4.97 116.55 115.09 1i4k n ASP 35 Ca -0.03 -1.73 0.07 0.00 -0.50 0.00 0.00 54.79 52.60 1i4k n ASP 35 Cb 0.60 0.54 0.54 0.00 -1.14 0.00 0.00 41.12 41.65 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 1.34 1.01 0.00 2.12 2.04 -2.03 -1.63 117.51 120.37 1i4k h ILE 36 Ca -0.08 -0.70 0.00 0.00 1.00 0.00 0.00 64.86 65.08 1i4k h ILE 36 Cb 0.40 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 1i4k h ILE 36 CO 0.12 0.19 0.00 1.41 0.00 0.00 0.00 178.15 179.87 1i4k n HIS 37 N -4.12 0.19 -1.64 1.37 8.25 -1.26 -4.89 115.22 113.13 1i4k n HIS 37 Ca -0.02 0.06 -0.03 0.00 -0.26 0.00 0.00 57.72 57.47 1i4k n HIS 37 Cb 0.27 -0.60 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 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 -1.66 -0.21 -2.36 -0.41 1.56 -0.61 -4.11 117.12 109.31 1i4k n MET 38 Ca 0.05 0.33 -0.41 0.00 -0.27 0.00 0.00 57.70 57.40 1i4k n MET 38 Cb 0.30 -3.97 -0.03 0.00 2.15 0.00 0.00 33.22 31.66 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 -2.91 7.05 0.24 6.12 0.01 -1.26 -2.64 114.94 121.54 1i4k s ASN 39 Ca 0.00 2.20 0.10 0.00 -0.71 0.00 0.00 52.86 54.45 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 -0.43 -0.05 -0.76 -1.51 0.00 0.00 177.10 174.35 1i4k s LEU 40 N 0.22 3.07 -0.08 0.60 1.43 0.25 -2.95 118.68 121.22 1i4k s LEU 40 Ca 0.56 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1i4k s LEU 40 Cb -0.32 -1.64 0.02 0.00 0.03 0.00 0.00 46.19 44.27 1i4k s LEU 40 CO 0.34 0.04 -0.10 -0.69 0.23 0.00 0.00 176.35 176.17 1i4k s VAL 41 N -2.16 1.06 -0.03 -1.59 1.01 -0.94 0.43 120.40 118.17 1i4k s VAL 41 Ca 0.29 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1i4k s VAL 41 Cb -0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 36.38 35.28 1i4k s VAL 41 CO 0.18 0.35 -0.20 -0.76 0.00 0.00 0.00 175.10 174.67 1i4k s LEU 42 N 1.12 2.01 -0.06 3.92 1.43 -0.08 -1.26 118.68 125.76 1i4k s LEU 42 Ca -0.06 -0.38 0.00 0.00 -1.03 0.00 0.00 54.13 52.66 1i4k s LEU 42 Cb -0.14 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.98 1i4k s LEU 42 CO -0.02 0.22 -0.03 -0.76 0.23 0.00 0.00 176.35 175.99 1i4k s LEU 43 N -0.29 3.36 -1.47 1.79 1.43 0.41 -0.56 118.68 123.35 1i4k s LEU 43 Ca 0.03 0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.08 1i4k s LEU 43 Cb -0.10 -1.79 0.05 0.00 0.03 0.00 0.00 46.19 44.39 1i4k s LEU 43 CO 0.01 0.35 0.77 0.47 0.23 0.00 0.00 176.35 178.18 1i4k n ASP 44 N 2.03 -2.69 -4.78 2.29 9.92 -1.02 -0.59 116.55 121.70 1i4k n ASP 44 Ca -0.17 -0.86 -0.38 0.00 -0.53 0.00 0.00 54.79 52.84 1i4k n ASP 44 Cb 0.53 -3.63 -0.06 0.00 -0.64 0.00 0.00 41.12 37.32 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 -3.53 3.56 -0.09 2.24 0.00 -0.18 -4.40 121.76 119.36 1i4k s ALA 45 Ca 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 52.22 1i4k s ALA 45 Cb -0.18 -2.61 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1i4k s ALA 45 CO 0.85 0.26 -0.00 -1.83 0.00 0.00 0.00 175.76 175.04 1i4k s GLU 46 N -0.46 2.99 -0.11 0.00 -1.05 0.11 -1.45 118.70 118.73 1i4k s GLU 46 Ca 0.28 -0.41 -0.12 0.00 -0.15 0.00 0.00 54.97 54.56 1i4k s GLU 46 Cb -0.18 -2.79 -0.05 0.00 -0.44 0.00 0.00 34.13 30.68 1i4k s GLU 46 CO 0.15 0.69 0.29 -2.00 0.95 0.00 0.00 175.26 175.34 1i4k s GLU 47 N -0.85 3.98 -0.06 -4.83 2.12 -1.16 -2.01 118.70 115.88 1i4k s GLU 47 Ca 0.13 0.13 0.02 0.00 0.36 0.00 0.00 54.97 55.61 1i4k s GLU 47 Cb -0.11 -3.31 0.01 0.00 0.26 0.00 0.00 34.13 30.98 1i4k s GLU 47 CO 0.02 0.49 -0.11 0.42 -0.54 0.00 0.00 175.26 175.55 1i4k s ILE 48 N -0.31 1.00 0.01 -3.70 1.01 -0.91 -1.23 121.20 117.07 1i4k s ILE 48 Ca 0.18 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.47 1i4k s ILE 48 Cb -0.14 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.39 1i4k s ILE 48 CO 0.07 0.32 -0.13 -1.58 0.00 0.00 0.00 174.94 173.61 1i4k s GLN 49 N 0.66 0.99 -0.53 2.79 2.00 -1.01 -1.14 119.66 123.43 1i4k s GLN 49 Ca -0.13 -0.61 -0.04 0.00 -2.00 0.00 0.00 55.36 52.58 1i4k s GLN 49 Cb -0.15 -0.97 0.04 0.00 0.80 0.00 0.00 33.01 32.73 1i4k s GLN 49 CO 0.03 0.25 0.13 0.09 -0.50 0.00 0.00 175.29 175.29 1i4k n ASN 50 N 2.33 -1.77 -2.54 6.67 4.13 -1.26 -1.22 115.26 121.60 1i4k n ASN 50 Ca -0.16 0.13 -0.04 0.00 1.68 0.00 0.00 54.58 56.20 1i4k n ASN 50 Cb 0.55 -1.60 0.02 0.00 -1.54 0.00 0.00 39.78 37.21 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 -0.68 -0.70 0.00 7.41 0.00 -1.26 -5.06 105.19 104.90 1i4k n GLY 51 Ca -0.01 0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1i4k n GLY 51 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1i4k n GLU 52 N -1.93 0.00 -1.61 1.61 4.07 -0.36 -5.14 120.64 117.28 1i4k n GLU 52 Ca -0.02 0.00 -0.51 0.00 -0.06 0.00 0.00 57.16 56.57 1i4k n GLU 52 Cb 0.53 0.00 -0.06 0.00 -0.06 0.00 0.00 31.44 31.85 1i4k n GLU 52 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1i4k n VAL 53 N 0.00 0.03 -0.04 6.31 0.31 -1.26 -2.40 118.33 121.28 1i4k n VAL 53 Ca 0.00 -0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.28 1i4k n VAL 53 Cb 0.00 -1.00 -0.06 0.00 -0.91 0.00 0.00 33.84 31.87 1i4k n VAL 53 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 1i4k n VAL 54 N 2.85 0.56 -3.07 2.52 0.24 -0.37 -4.91 118.33 116.15 1i4k n VAL 54 Ca 0.19 -0.34 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 1i4k n VAL 54 Cb 0.21 -0.79 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 1i4k n VAL 54 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 1i4k n ARG 55 N -2.33 0.00 -3.89 7.34 1.85 -1.25 -5.04 116.66 113.34 1i4k n ARG 55 Ca -0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.63 1i4k n ARG 55 Cb 0.76 0.00 -0.08 0.00 -1.05 0.00 0.00 32.46 32.09 1i4k n ARG 55 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 177.63 177.77 1i4k s LYS 56 N -1.84 0.78 -0.21 2.89 -0.14 -1.26 -3.00 119.74 116.95 1i4k s LYS 56 Ca 0.00 -0.94 -0.09 0.00 -1.36 0.00 0.00 55.97 53.58 1i4k s LYS 56 Cb 0.00 0.31 0.08 0.00 -1.68 0.00 0.00 37.83 36.54 1i4k s LYS 56 CO 0.00 -0.23 0.48 0.14 -0.76 0.00 0.00 175.35 174.98 1i4k s VAL 57 N -3.63 -0.37 -1.47 3.17 -7.23 -0.53 -4.98 120.40 105.37 1i4k s VAL 57 Ca 0.03 0.10 0.06 0.00 -1.81 0.00 0.00 61.98 60.36 1i4k s VAL 57 Cb 0.04 -0.73 0.11 0.00 0.56 0.00 0.00 36.38 36.36 1i4k s VAL 57 CO -0.10 0.04 1.02 0.61 -0.31 0.00 0.00 175.10 176.37 1i4k n GLY 58 N 4.83 -0.46 3.65 2.32 0.00 -1.26 -1.01 105.19 113.25 1i4k n GLY 58 Ca -0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.53 -0.01 -0.18 1.61 1.04 -1.25 -2.45 113.70 109.94 1i4k s SER 59 Ca 0.06 0.01 -0.17 0.00 0.48 0.00 0.00 55.95 56.33 1i4k s SER 59 Cb 0.04 0.01 0.05 0.00 0.10 0.00 0.00 66.02 66.22 1i4k s SER 59 CO 0.09 -0.00 0.48 0.54 0.98 0.00 0.00 173.24 175.33 1i4k s VAL 60 N -0.54 0.00 -0.30 5.02 0.11 0.27 -4.96 120.40 120.00 1i4k s VAL 60 Ca 0.09 -0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.06 1i4k s VAL 60 Cb -0.03 -0.68 0.01 0.00 -1.53 0.00 0.00 36.38 34.15 1i4k s VAL 60 CO -0.13 -0.00 0.10 -0.69 -3.33 0.00 0.00 175.10 171.06 1i4k s VAL 61 N 0.24 4.15 -0.12 2.04 1.01 -1.26 -0.90 120.40 125.55 1i4k s VAL 61 Ca -0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1i4k s VAL 61 Cb -0.03 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.17 1i4k s VAL 61 CO 0.01 0.06 0.01 -0.63 0.00 0.00 0.00 175.10 174.55 1i4k s ILE 62 N 1.53 4.40 -0.07 2.22 1.01 0.17 -4.93 121.20 125.53 1i4k s ILE 62 Ca 0.03 -0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.18 1i4k s ILE 62 Cb -0.17 -2.90 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 1i4k s ILE 62 CO 0.04 0.55 1.26 -0.13 0.00 0.00 0.00 174.94 176.65 1i4k s ARG 63 N -0.38 4.31 0.49 2.79 1.81 -1.26 0.86 118.95 127.57 1i4k s ARG 63 Ca 0.08 1.73 0.26 0.00 -1.72 0.00 0.00 55.73 56.08 1i4k s ARG 63 Cb -0.12 -3.61 1.33 0.00 -0.45 0.00 0.00 34.95 32.10 1i4k s ARG 63 CO 0.02 -0.53 1.88 0.78 -0.68 0.00 0.00 175.30 176.77 1i4k h GLY 64 N 8.58 0.34 0.22 -3.53 0.00 -1.66 -1.21 103.07 105.82 1i4k h GLY 64 Ca -0.33 -0.07 0.25 0.00 0.00 0.00 0.00 47.33 47.18 1i4k h GLY 64 CO 0.90 -0.01 0.63 -1.80 0.00 0.00 0.00 176.54 176.27 1i4k h ASP 65 N 0.15 0.09 -0.01 0.19 1.82 -1.84 0.22 116.42 117.03 1i4k h ASP 65 Ca 0.44 0.01 0.00 0.00 -0.39 0.00 0.00 57.03 57.09 1i4k h ASP 65 Cb 1.48 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.48 1i4k h ASP 65 CO -0.07 0.03 -0.12 0.35 -1.61 0.00 0.00 179.24 177.82 1i4k n THR 66 N -4.33 0.00 -2.69 2.25 -2.24 -0.46 -4.94 114.28 101.87 1i4k n THR 66 Ca 0.19 -0.39 -0.40 0.00 -2.27 0.00 0.00 64.05 61.17 1i4k n THR 66 Cb 0.91 1.25 -0.05 0.00 -2.10 0.00 0.00 70.33 70.33 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 -2.13 4.14 -0.28 2.28 1.01 0.78 -0.63 120.40 125.56 1i4k s VAL 67 Ca 0.27 1.98 -0.14 0.00 0.00 0.00 0.00 61.98 64.09 1i4k s VAL 67 Cb 0.20 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 1i4k s VAL 67 CO 0.38 0.40 -0.35 0.52 0.00 0.00 0.00 175.10 176.05 1i4k n VAL 68 N 1.99 1.53 -3.49 2.92 0.31 0.18 -4.83 118.33 116.94 1i4k n VAL 68 Ca 0.00 -0.38 -0.15 0.00 -0.01 0.00 0.00 64.34 63.79 1i4k n VAL 68 Cb 0.47 -1.88 -0.05 0.00 -0.91 0.00 0.00 33.84 31.48 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 -2.51 -0.59 -0.05 3.52 -0.12 -1.11 -5.01 117.98 112.12 1i4k s PHE 69 Ca -0.39 0.82 0.07 0.00 -0.05 0.00 0.00 56.93 57.38 1i4k s PHE 69 Cb 0.15 0.46 -0.01 0.00 -0.63 0.00 0.00 43.02 42.99 1i4k s PHE 69 CO 0.49 -0.66 -0.25 0.08 -0.05 0.00 0.00 175.22 174.83 1i4k s VAL 70 N -2.00 2.05 -0.10 -2.49 1.01 -1.26 -1.21 120.40 116.40 1i4k s VAL 70 Ca -0.06 -1.08 -0.08 0.00 0.00 0.00 0.00 61.98 60.76 1i4k s VAL 70 Cb -0.00 -1.73 0.03 0.00 0.00 0.00 0.00 36.38 34.68 1i4k s VAL 70 CO 0.02 0.57 0.27 -0.55 0.00 0.00 0.00 175.10 175.41 1i4k s SER 71 N -0.29 -0.28 0.48 3.32 0.15 0.13 -4.97 113.70 112.24 1i4k s SER 71 Ca 0.00 0.55 -0.24 0.00 0.70 0.00 0.00 55.95 56.96 1i4k s SER 71 Cb -0.13 0.52 -0.07 0.00 -1.71 0.00 0.00 66.02 64.63 1i4k s SER 71 CO 0.02 -0.12 1.41 -2.16 1.20 0.00 0.00 173.24 173.60 1i4k s PRO 72 N 0.49 3.53 0.00 5.44 0.04 -1.26 0.21 135.00 143.44 1i4k s PRO 72 Ca -0.03 2.38 0.15 0.00 0.04 0.00 0.00 61.00 63.54 1i4k s PRO 72 Cb -0.04 -2.54 0.92 0.00 0.04 0.00 0.00 34.50 32.87 1i4k s PRO 72 CO -0.03 -0.93 1.33 0.00 0.04 0.00 0.00 177.00 177.41