#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 2.27 0.07 -0.52 1.70 -1.26 -5.02 118.95 116.19 1i4k s ARG 4 Ca 0.00 -1.82 -0.14 0.00 -0.47 0.00 0.00 55.73 53.30 1i4k s ARG 4 Cb 0.00 -2.03 -0.03 0.00 -0.57 0.00 0.00 34.95 32.31 1i4k s ARG 4 CO 0.00 -0.15 1.03 -2.30 -1.08 0.00 0.00 175.30 172.80 1i4k n PRO 5 N -1.30 -0.20 0.28 3.89 -0.02 -1.26 -1.02 135.00 135.37 1i4k n PRO 5 Ca -0.01 1.02 0.16 0.00 -2.02 0.00 0.00 63.50 62.65 1i4k n PRO 5 Cb 0.64 -1.51 0.92 0.00 -0.02 0.00 0.00 33.50 33.53 1i4k n PRO 5 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1i4k h LEU 6 N 0.00 0.00 -0.54 2.45 4.07 -1.98 -2.01 115.31 117.30 1i4k h LEU 6 Ca 0.07 0.00 -0.12 0.00 0.08 0.00 0.00 57.88 57.91 1i4k h LEU 6 Cb 0.19 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 41.91 1i4k h LEU 6 CO -0.44 0.00 -0.14 0.44 -1.08 0.00 0.00 178.44 177.22 1i4k h ASP 7 N 0.00 1.04 -0.55 -0.43 3.32 -1.48 -2.06 116.42 116.27 1i4k h ASP 7 Ca 0.02 -0.36 -0.10 0.00 0.02 0.00 0.00 57.03 56.60 1i4k h ASP 7 Cb 0.11 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1i4k h ASP 7 CO -0.00 1.17 -0.05 0.58 -1.72 0.00 0.00 179.24 179.22 1i4k h VAL 8 N 0.91 1.26 -0.75 -1.35 2.07 -1.24 -1.34 116.25 115.81 1i4k h VAL 8 Ca 0.13 -1.19 -0.03 0.00 0.82 0.00 0.00 66.70 66.43 1i4k h VAL 8 Cb 0.72 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1i4k h VAL 8 CO 0.06 0.43 0.33 -0.07 0.02 0.00 0.00 177.57 178.34 1i4k h LEU 9 N 0.92 1.00 -0.81 2.57 3.38 -1.36 -2.56 115.31 118.46 1i4k h LEU 9 Ca 0.16 -0.13 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 1i4k h LEU 9 Cb 0.60 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 1i4k h LEU 9 CO 0.04 0.86 -0.17 -1.13 0.09 0.00 0.00 178.44 178.13 1i4k h ASN 10 N 1.08 0.71 0.00 -0.43 -0.73 -0.96 -1.70 115.58 113.55 1i4k h ASN 10 Ca 0.26 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.20 1i4k h ASN 10 Cb 0.15 -0.19 0.00 0.00 0.27 0.00 0.00 38.32 38.55 1i4k h ASN 10 CO -0.03 0.89 0.00 0.54 -0.37 0.00 0.00 177.43 178.46 1i4k n ARG 11 N -4.14 0.89 0.00 6.67 1.74 -0.54 -2.83 116.66 118.45 1i4k n ARG 11 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 1i4k n ARG 11 Cb 0.39 -1.00 -0.00 0.00 -1.02 0.00 0.00 32.46 30.83 1i4k n ARG 11 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 1i4k n SER 12 N -0.50 0.23 -4.60 0.55 7.64 -0.65 -5.01 113.62 111.27 1i4k n SER 12 Ca 0.00 -0.61 -0.40 0.00 1.01 0.00 0.00 58.87 58.87 1i4k n SER 12 Cb 0.00 0.82 0.03 0.00 -1.01 0.00 0.00 64.21 64.05 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 -0.83 2.83 0.00 -3.43 4.77 -1.13 -0.97 117.00 118.25 1i4k n LEU 13 Ca 0.00 0.92 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 1i4k n LEU 13 Cb 0.01 -1.35 0.00 0.00 -2.33 0.00 0.00 43.42 39.76 1i4k n LEU 13 CO 0.01 -1.79 0.00 0.29 -1.33 0.00 0.00 177.39 174.58 1i4k n LYS 14 N -0.31 -0.56 -4.32 3.23 4.76 0.48 -4.96 118.16 116.48 1i4k n LYS 14 Ca 0.11 0.14 -0.24 0.00 -2.87 0.00 0.00 58.31 55.45 1i4k n LYS 14 Cb 0.43 -4.02 -0.08 0.00 -1.84 0.00 0.00 35.03 29.52 1i4k n LYS 14 CO 0.00 0.00 0.00 -1.12 -1.37 0.00 0.00 177.40 174.91 1i4k s SER 15 N -2.20 4.25 0.48 4.39 0.01 -0.14 -4.87 113.70 115.62 1i4k s SER 15 Ca 0.00 -0.89 -0.18 0.00 1.31 0.00 0.00 55.95 56.19 1i4k s SER 15 Cb 0.00 -0.60 -0.09 0.00 0.21 0.00 0.00 66.02 65.53 1i4k s SER 15 CO 0.00 -0.15 0.97 -2.16 0.41 0.00 0.00 173.24 172.31 1i4k s PRO 16 N -3.69 4.06 0.32 12.44 0.04 -1.26 -0.37 135.00 146.54 1i4k s PRO 16 Ca 0.34 1.02 -0.08 0.00 0.04 0.00 0.00 61.00 62.32 1i4k s PRO 16 Cb -0.03 -2.15 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1i4k s PRO 16 CO 0.19 -0.17 0.53 0.14 0.04 0.00 0.00 177.00 177.73 1i4k s VAL 17 N -2.44 0.00 -0.15 -0.36 -7.23 -0.68 -2.19 120.40 107.35 1i4k s VAL 17 Ca 0.60 -1.44 -0.01 0.00 -1.81 0.00 0.00 61.98 59.33 1i4k s VAL 17 Cb -0.10 -2.55 0.04 0.00 0.56 0.00 0.00 36.38 34.33 1i4k s VAL 17 CO 0.24 0.00 -0.05 -0.63 -0.31 0.00 0.00 175.10 174.35 1i4k s ILE 18 N -3.22 1.01 -0.30 -0.62 1.01 0.15 -3.23 121.20 115.99 1i4k s ILE 18 Ca 0.25 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 60.33 1i4k s ILE 18 Cb -0.01 -1.16 -0.00 0.00 0.01 0.00 0.00 42.46 41.29 1i4k s ILE 18 CO 0.15 0.18 0.12 -0.69 0.00 0.00 0.00 174.94 174.70 1i4k s VAL 19 N 1.69 4.30 -0.16 2.92 1.01 -0.53 -1.81 120.40 127.82 1i4k s VAL 19 Ca 0.02 -0.54 -0.16 0.00 0.00 0.00 0.00 61.98 61.30 1i4k s VAL 19 Cb -0.14 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1i4k s VAL 19 CO -0.08 0.08 0.39 -0.60 0.00 0.00 0.00 175.10 174.89 1i4k s ARG 20 N 1.56 4.25 0.28 2.72 3.52 -0.85 -0.99 118.95 129.45 1i4k s ARG 20 Ca 0.04 0.25 0.06 0.00 -0.13 0.00 0.00 55.73 55.95 1i4k s ARG 20 Cb -0.17 -3.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.72 1i4k s ARG 20 CO 0.04 0.11 0.31 -0.51 -0.81 0.00 0.00 175.30 174.44 1i4k s LEU 21 N 0.84 3.95 0.05 -0.88 1.43 -0.13 -0.67 118.68 123.28 1i4k s LEU 21 Ca 0.20 -0.19 -0.31 0.00 -1.03 0.00 0.00 54.13 52.81 1i4k s LEU 21 Cb -0.14 -2.55 -0.07 0.00 0.03 0.00 0.00 46.19 43.46 1i4k s LEU 21 CO 0.07 -0.18 1.45 -0.54 0.23 0.00 0.00 176.35 177.39 1i4k s LYS 22 N -3.97 4.28 0.00 1.70 1.02 -0.39 -2.71 119.74 119.67 1i4k s LYS 22 Ca 0.37 2.08 0.00 0.00 0.02 0.00 0.00 55.97 58.44 1i4k s LYS 22 Cb -0.08 -3.47 0.00 0.00 -0.52 0.00 0.00 37.83 33.76 1i4k s LYS 22 CO 0.28 -0.56 0.00 0.41 -0.92 0.00 0.00 175.35 174.55 1i4k n GLY 23 N 3.67 1.58 0.00 -3.33 0.00 -1.26 -4.67 105.19 101.19 1i4k n GLY 23 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 -0.18 1.90 3.57 -0.02 0.00 -1.10 -5.08 105.19 104.27 1i4k n GLY 24 Ca 0.00 -0.02 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1i4k n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1i4k n ARG 25 N 0.00 0.42 -3.89 1.61 1.74 -1.26 -4.76 116.66 110.53 1i4k n ARG 25 Ca 0.00 0.20 -0.11 0.00 -0.77 0.00 0.00 57.85 57.17 1i4k n ARG 25 Cb 0.00 -2.10 -0.11 0.00 -1.02 0.00 0.00 32.46 29.23 1i4k n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1i4k s GLU 26 N -3.18 0.39 0.16 5.56 2.12 -0.92 -0.96 118.70 121.88 1i4k s GLU 26 Ca 0.71 -0.35 0.09 0.00 0.36 0.00 0.00 54.97 55.78 1i4k s GLU 26 Cb -0.34 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.16 1i4k s GLU 26 CO 0.53 -0.08 -0.19 -0.06 -0.54 0.00 0.00 175.26 174.91 1i4k s PHE 27 N -1.15 1.87 -0.09 5.30 0.40 -0.16 -0.07 117.98 124.08 1i4k s PHE 27 Ca -0.12 -0.45 -0.04 0.00 -0.60 0.00 0.00 56.93 55.71 1i4k s PHE 27 Cb -0.07 -0.94 0.05 0.00 0.51 0.00 0.00 43.02 42.57 1i4k s PHE 27 CO 0.01 0.34 0.21 1.03 0.70 0.00 0.00 175.22 177.51 1i4k s ARG 28 N -2.72 0.14 0.00 0.44 0.52 -0.92 -1.46 118.95 114.96 1i4k s ARG 28 Ca 0.16 0.52 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 1i4k s ARG 28 Cb -0.06 -0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.26 1i4k s ARG 28 CO 0.07 -0.20 0.00 0.41 0.02 0.00 0.00 175.30 175.60 1i4k n GLY 29 N 4.51 -1.39 3.68 -3.53 0.00 -1.20 -0.44 105.19 106.82 1i4k n GLY 29 Ca -0.21 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.45 4.89 -0.18 2.61 2.01 0.54 -1.69 115.64 121.37 1i4k s THR 30 Ca 0.00 1.69 -0.29 0.00 0.31 0.00 0.00 61.69 63.40 1i4k s THR 30 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 1i4k s THR 30 CO 0.00 0.06 1.72 -0.22 -0.69 0.00 0.00 174.62 175.50 1i4k s LEU 31 N 1.87 3.94 -0.02 4.42 2.96 0.51 0.28 118.68 132.64 1i4k s LEU 31 Ca 0.40 1.82 0.14 0.00 -0.22 0.00 0.00 54.13 56.27 1i4k s LEU 31 Cb -0.17 -3.53 -0.21 0.00 0.50 0.00 0.00 46.19 42.78 1i4k s LEU 31 CO 0.15 -1.28 0.32 -0.67 -1.32 0.00 0.00 176.35 173.54 1i4k n ASP 32 N 8.59 1.79 -3.72 3.68 2.03 0.28 -0.39 116.55 128.80 1i4k n ASP 32 Ca 0.20 -0.06 -0.02 0.00 0.52 0.00 0.00 54.79 55.43 1i4k n ASP 32 Cb 0.45 1.58 -0.01 0.00 -0.72 0.00 0.00 41.12 42.41 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 -3.47 -0.27 -0.10 0.27 0.00 -1.03 -4.88 107.32 97.83 1i4k s GLY 33 Ca -0.04 0.26 -0.32 0.00 0.00 0.00 0.00 44.72 44.61 1i4k s GLY 33 CO 0.57 0.03 1.09 -2.52 0.00 0.00 0.00 173.10 172.27 1i4k s TYR 34 N -3.09 -0.20 0.36 1.90 -0.85 -1.26 -1.53 117.35 112.69 1i4k s TYR 34 Ca 0.13 0.10 0.06 0.00 -0.52 0.00 0.00 57.07 56.84 1i4k s TYR 34 Cb 0.00 0.53 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1i4k s TYR 34 CO 0.01 -0.35 0.23 -0.40 -1.52 0.00 0.00 175.55 173.52 1i4k n ASP 35 N -0.19 0.03 0.00 -0.18 5.68 -1.01 -4.95 116.55 115.93 1i4k n ASP 35 Ca -0.04 -3.18 0.06 0.00 -0.50 0.00 0.00 54.79 51.13 1i4k n ASP 35 Cb 0.60 1.42 0.30 0.00 -1.14 0.00 0.00 41.12 42.30 1i4k n ASP 35 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 1i4k n ILE 36 N -0.74 0.54 1.03 2.12 -5.35 -1.26 -1.04 119.36 114.66 1i4k n ILE 36 Ca 0.03 0.13 0.11 0.00 -0.27 0.00 0.00 62.75 62.75 1i4k n ILE 36 Cb 0.61 -0.95 0.02 0.00 -1.74 0.00 0.00 39.64 37.58 1i4k n ILE 36 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 1i4k n HIS 37 N -1.22 0.00 -1.86 4.28 8.25 -1.26 -4.94 115.22 118.48 1i4k n HIS 37 Ca 0.06 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.50 1i4k n HIS 37 Cb 0.08 -0.03 -0.00 0.00 1.12 0.00 0.00 29.99 31.15 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 -0.66 -0.16 -2.57 -0.41 1.56 -0.20 -4.29 117.12 110.40 1i4k n MET 38 Ca 0.08 0.19 -0.35 0.00 -0.27 0.00 0.00 57.70 57.34 1i4k n MET 38 Cb 0.40 -3.79 -0.04 0.00 2.15 0.00 0.00 33.22 31.94 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 -2.92 6.56 0.20 6.12 0.01 -1.26 -3.34 114.94 120.30 1i4k s ASN 39 Ca 0.00 1.96 0.03 0.00 -0.71 0.00 0.00 52.86 54.14 1i4k s ASN 39 Cb 0.00 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 39.04 1i4k s ASN 39 CO 0.00 -0.63 -0.02 -0.76 -1.51 0.00 0.00 177.10 174.18 1i4k s LEU 40 N -3.11 2.21 -0.08 0.60 1.43 -0.15 -2.42 118.68 117.16 1i4k s LEU 40 Ca 0.63 -1.17 -0.02 0.00 -1.03 0.00 0.00 54.13 52.54 1i4k s LEU 40 Cb -0.18 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 45.87 1i4k s LEU 40 CO 0.22 -0.51 0.01 -0.69 0.23 0.00 0.00 176.35 175.62 1i4k s VAL 41 N -3.50 0.33 0.06 -1.59 1.01 -0.58 -1.12 120.40 115.01 1i4k s VAL 41 Ca 0.25 0.09 0.06 0.00 0.00 0.00 0.00 61.98 62.38 1i4k s VAL 41 Cb 0.05 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1i4k s VAL 41 CO 0.06 0.20 -0.12 -0.76 0.00 0.00 0.00 175.10 174.48 1i4k s LEU 42 N 1.99 2.93 0.02 3.92 1.43 -0.77 0.98 118.68 129.17 1i4k s LEU 42 Ca 0.04 -0.34 0.06 0.00 -1.03 0.00 0.00 54.13 52.87 1i4k s LEU 42 Cb -0.13 -1.72 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 1i4k s LEU 42 CO -0.05 0.23 -0.18 -0.76 0.23 0.00 0.00 176.35 175.82 1i4k s LEU 43 N -1.76 2.59 -1.21 1.79 1.43 0.14 -1.88 118.68 119.78 1i4k s LEU 43 Ca 0.18 -0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 1i4k s LEU 43 Cb -0.11 -1.51 0.00 0.00 0.03 0.00 0.00 46.19 44.60 1i4k s LEU 43 CO 0.09 0.28 0.70 0.47 0.23 0.00 0.00 176.35 178.12 1i4k n ASP 44 N 1.79 -4.07 -4.98 2.29 9.92 -0.36 -0.34 116.55 120.81 1i4k n ASP 44 Ca -0.16 -1.05 -0.20 0.00 -0.53 0.00 0.00 54.79 52.84 1i4k n ASP 44 Cb 0.52 -3.08 -0.01 0.00 -0.64 0.00 0.00 41.12 37.91 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 -3.58 4.08 -0.03 2.24 0.00 -0.59 -4.35 121.76 119.53 1i4k s ALA 45 Ca 0.38 -1.36 0.03 0.00 0.00 0.00 0.00 51.96 51.00 1i4k s ALA 45 Cb -0.15 -1.69 0.01 0.00 0.00 0.00 0.00 23.12 21.29 1i4k s ALA 45 CO 0.88 0.10 -0.10 -1.21 0.00 0.00 0.00 175.76 175.43 1i4k s GLU 46 N -4.08 1.13 -0.24 0.00 2.02 0.41 -2.00 118.70 115.96 1i4k s GLU 46 Ca 0.40 -0.33 -0.20 0.00 0.02 0.00 0.00 54.97 54.86 1i4k s GLU 46 Cb -0.09 -1.03 -0.02 0.00 0.10 0.00 0.00 34.13 33.08 1i4k s GLU 46 CO 0.30 0.10 0.59 -2.00 0.02 0.00 0.00 175.26 174.26 1i4k s GLU 47 N 0.31 4.13 -0.11 1.61 2.12 -0.25 -2.17 118.70 124.35 1i4k s GLU 47 Ca -0.06 0.49 -0.04 0.00 0.36 0.00 0.00 54.97 55.73 1i4k s GLU 47 Cb -0.10 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.63 1i4k s GLU 47 CO 0.01 -0.32 0.04 0.42 -0.54 0.00 0.00 175.26 174.87 1i4k s ILE 48 N 2.20 4.61 -0.25 -3.70 1.09 0.90 -1.25 121.20 124.79 1i4k s ILE 48 Ca 0.25 -0.13 -0.02 0.00 -1.10 0.00 0.00 60.65 59.65 1i4k s ILE 48 Cb -0.16 -2.97 0.11 0.00 -1.06 0.00 0.00 42.46 38.38 1i4k s ILE 48 CO 0.09 0.59 0.25 -1.58 -0.10 0.00 0.00 174.94 174.19 1i4k s GLN 49 N -0.73 0.25 -1.17 2.79 2.00 0.99 -2.16 119.66 121.63 1i4k s GLN 49 Ca 0.12 -0.03 -0.03 0.00 -2.00 0.00 0.00 55.36 53.42 1i4k s GLN 49 Cb -0.12 -0.94 0.00 0.00 0.80 0.00 0.00 33.01 32.76 1i4k s GLN 49 CO 0.02 -0.87 1.00 0.09 -0.50 0.00 0.00 175.29 175.03 1i4k n ASN 50 N 5.31 -3.62 0.00 6.67 5.03 -1.26 -2.65 115.26 124.74 1i4k n ASN 50 Ca -0.04 -0.55 0.00 0.00 0.87 0.00 0.00 54.58 54.86 1i4k n ASN 50 Cb 0.47 -4.76 0.00 0.00 -1.02 0.00 0.00 39.78 34.47 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1i4k n GLY 51 N -1.43 0.83 3.37 7.41 0.00 -1.26 -5.03 105.19 109.08 1i4k n GLY 51 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1i4k n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1i4k s GLU 52 N -0.11 1.36 -0.82 1.61 2.02 -1.09 -5.09 118.70 116.58 1i4k s GLU 52 Ca 0.00 -1.33 -0.16 0.00 0.02 0.00 0.00 54.97 53.50 1i4k s GLU 52 Cb 0.00 -1.80 0.18 0.00 0.10 0.00 0.00 34.13 32.62 1i4k s GLU 52 CO 0.00 0.42 0.85 0.08 0.02 0.00 0.00 175.26 176.63 1i4k s VAL 53 N -1.13 5.30 -1.26 2.63 1.01 -1.26 -0.01 120.40 125.68 1i4k s VAL 53 Ca 0.13 -2.08 0.14 0.00 0.00 0.00 0.00 61.98 60.18 1i4k s VAL 53 Cb -0.10 -4.55 0.20 0.00 0.00 0.00 0.00 36.38 31.93 1i4k s VAL 53 CO 0.06 -1.16 1.42 1.33 0.00 0.00 0.00 175.10 176.75 1i4k n VAL 54 N 4.56 0.76 -3.63 2.92 0.24 -0.38 -4.81 118.33 117.98 1i4k n VAL 54 Ca 0.14 0.19 -0.04 0.00 -2.04 0.00 0.00 64.34 62.58 1i4k n VAL 54 Cb 0.47 -0.95 -0.05 0.00 -1.47 0.00 0.00 33.84 31.84 1i4k n VAL 54 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 1i4k s ARG 55 N -2.74 0.20 -0.10 7.34 3.52 -1.24 -4.98 118.95 120.95 1i4k s ARG 55 Ca 0.11 0.10 0.03 0.00 -0.13 0.00 0.00 55.73 55.84 1i4k s ARG 55 Cb 0.10 0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.59 1i4k s ARG 55 CO 0.24 -0.05 -0.21 0.15 -0.81 0.00 0.00 175.30 174.62 1i4k s LYS 56 N -0.69 2.72 0.02 5.12 1.02 -1.26 -1.09 119.74 125.58 1i4k s LYS 56 Ca 0.06 -0.76 0.01 0.00 0.02 0.00 0.00 55.97 55.30 1i4k s LYS 56 Cb -0.02 -2.13 -0.01 0.00 -0.52 0.00 0.00 37.83 35.15 1i4k s LYS 56 CO -0.08 0.09 -0.05 0.14 -0.92 0.00 0.00 175.35 174.53 1i4k s VAL 57 N 0.57 0.33 0.21 3.17 -7.23 -0.85 -5.04 120.40 111.57 1i4k s VAL 57 Ca -0.14 -0.62 0.25 0.00 -1.81 0.00 0.00 61.98 59.66 1i4k s VAL 57 Cb -0.17 -0.36 0.25 0.00 0.56 0.00 0.00 36.38 36.65 1i4k s VAL 57 CO 0.05 -0.20 1.89 1.23 -0.31 0.00 0.00 175.10 177.76 1i4k h GLY 58 N 5.25 0.00 -3.82 2.32 0.00 -1.93 -1.55 103.07 103.33 1i4k h GLY 58 Ca -0.31 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.08 1i4k h GLY 58 CO 0.45 0.00 0.44 -1.35 0.00 0.00 0.00 176.54 176.08 1i4k s SER 59 N -6.18 -0.43 -0.15 0.19 1.04 -1.26 -1.22 113.70 105.69 1i4k s SER 59 Ca -0.00 0.26 -0.20 0.00 0.48 0.00 0.00 55.95 56.49 1i4k s SER 59 Cb 0.11 0.40 0.05 0.00 0.10 0.00 0.00 66.02 66.68 1i4k s SER 59 CO 0.62 -0.55 0.51 0.68 0.98 0.00 0.00 173.24 175.49 1i4k s VAL 60 N -2.14 0.01 -0.25 5.02 -7.23 -0.79 -4.98 120.40 110.03 1i4k s VAL 60 Ca -0.00 -0.07 -0.05 0.00 -1.81 0.00 0.00 61.98 60.04 1i4k s VAL 60 Cb -0.01 -0.75 -0.00 0.00 0.56 0.00 0.00 36.38 36.18 1i4k s VAL 60 CO -0.02 -0.04 0.02 -0.69 -0.31 0.00 0.00 175.10 174.06 1i4k s VAL 61 N -0.19 3.73 -0.16 1.32 1.01 -1.26 -1.85 120.40 122.99 1i4k s VAL 61 Ca -0.04 -0.54 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 1i4k s VAL 61 Cb -0.03 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 1i4k s VAL 61 CO 0.03 0.27 0.04 -0.63 0.00 0.00 0.00 175.10 174.80 1i4k s ILE 62 N 1.50 4.57 -0.08 2.22 1.01 -0.28 -4.95 121.20 125.20 1i4k s ILE 62 Ca 0.04 -0.12 -0.30 0.00 0.00 0.00 0.00 60.65 60.28 1i4k s ILE 62 Cb -0.16 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.25 1i4k s ILE 62 CO 0.00 0.49 1.26 -0.13 0.00 0.00 0.00 174.94 176.56 1i4k s ARG 63 N 0.19 4.30 0.31 2.79 1.81 -1.26 -0.98 118.95 126.11 1i4k s ARG 63 Ca 0.03 1.73 0.06 0.00 -1.72 0.00 0.00 55.73 55.83 1i4k s ARG 63 Cb -0.13 -3.64 0.83 0.00 -0.45 0.00 0.00 34.95 31.57 1i4k s ARG 63 CO 0.01 -0.56 1.66 0.78 -0.68 0.00 0.00 175.30 176.51 1i4k h GLY 64 N 8.76 1.61 -0.56 -3.53 0.00 -1.74 0.14 103.07 107.74 1i4k h GLY 64 Ca -0.32 -0.11 0.34 0.00 0.00 0.00 0.00 47.33 47.23 1i4k h GLY 64 CO 0.91 -0.39 0.73 -1.80 0.00 0.00 0.00 176.54 175.99 1i4k h ASP 65 N 0.27 0.37 1.63 0.19 -0.00 -1.87 0.20 116.42 117.21 1i4k h ASP 65 Ca 0.61 0.11 0.00 0.00 -0.00 0.00 0.00 57.03 57.76 1i4k h ASP 65 Cb 1.28 0.07 0.00 0.00 -0.00 0.00 0.00 39.33 40.68 1i4k h ASP 65 CO -0.63 -0.04 -0.26 0.74 -0.00 0.00 0.00 179.24 179.05 1i4k h THR 66 N 0.26 0.00 -3.21 2.25 2.02 -1.10 -3.47 112.91 109.66 1i4k h THR 66 Ca 0.70 -0.89 -0.53 0.00 0.77 0.00 0.00 66.41 66.46 1i4k h THR 66 Cb 1.96 1.75 0.02 0.00 -1.74 0.00 0.00 68.15 70.14 1i4k h THR 66 CO -0.37 0.00 0.63 -0.69 0.37 0.00 0.00 175.52 175.46 1i4k s VAL 67 N -3.23 3.57 -0.23 3.16 1.01 0.71 -1.26 120.40 124.14 1i4k s VAL 67 Ca 0.06 1.18 -0.17 0.00 0.00 0.00 0.00 61.98 63.05 1i4k s VAL 67 Cb 0.08 -3.76 -0.14 0.00 0.00 0.00 0.00 36.38 32.56 1i4k s VAL 67 CO 0.69 0.12 -0.09 0.52 0.00 0.00 0.00 175.10 176.34 1i4k n VAL 68 N 3.47 1.52 -3.49 2.92 0.31 0.15 -4.86 118.33 118.35 1i4k n VAL 68 Ca 0.09 -0.12 -0.10 0.00 -0.01 0.00 0.00 64.34 64.20 1i4k n VAL 68 Cb 0.44 -2.04 -0.02 0.00 -0.91 0.00 0.00 33.84 31.30 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 -2.45 -0.40 -0.04 3.52 -0.12 -1.19 -5.02 117.98 112.28 1i4k s PHE 69 Ca -0.31 0.30 0.02 0.00 -0.05 0.00 0.00 56.93 56.89 1i4k s PHE 69 Cb 0.09 0.53 0.01 0.00 -0.63 0.00 0.00 43.02 43.02 1i4k s PHE 69 CO 0.50 -0.60 -0.09 0.08 -0.05 0.00 0.00 175.22 175.06 1i4k s VAL 70 N -3.05 0.80 -0.05 -2.49 1.01 -1.26 -2.01 120.40 113.36 1i4k s VAL 70 Ca 0.03 -0.33 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1i4k s VAL 70 Cb -0.01 -0.74 0.02 0.00 0.00 0.00 0.00 36.38 35.65 1i4k s VAL 70 CO -0.08 0.26 -0.07 -0.94 0.00 0.00 0.00 175.10 174.27 1i4k s SER 71 N 0.44 1.14 0.03 3.32 1.04 -0.75 -4.97 113.70 113.95 1i4k s SER 71 Ca -0.07 -0.17 -0.30 0.00 0.48 0.00 0.00 55.95 55.88 1i4k s SER 71 Cb -0.11 -0.53 -0.07 0.00 0.10 0.00 0.00 66.02 65.40 1i4k s SER 71 CO 0.01 -0.02 1.63 -2.84 0.98 0.00 0.00 173.24 172.99 1i4k s PRO 72 N 0.79 4.20 0.00 4.02 0.02 -1.26 -0.67 135.00 142.09 1i4k s PRO 72 Ca -0.12 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.16 1i4k s PRO 72 Cb -0.14 -3.69 0.00 0.00 0.02 0.00 0.00 34.50 30.68 1i4k s PRO 72 CO 0.01 -0.74 0.00 0.00 -0.33 0.00 0.00 177.00 175.94