#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 2.23 0.26 -0.52 1.81 -1.26 -5.04 118.95 116.42 1i4k s ARG 4 Ca 0.00 -0.94 -0.10 0.00 -1.72 0.00 0.00 55.73 52.97 1i4k s ARG 4 Cb 0.00 -2.34 0.38 0.00 -0.45 0.00 0.00 34.95 32.54 1i4k s ARG 4 CO 0.00 0.54 1.58 -1.35 -0.68 0.00 0.00 175.30 175.39 1i4k h PRO 5 N 3.97 -0.00 0.00 3.54 0.11 -2.06 0.13 132.00 137.70 1i4k h PRO 5 Ca -0.49 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1i4k h PRO 5 Cb 1.16 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1i4k h PRO 5 CO 0.52 -0.00 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.15 1i4k h LEU 6 N -0.00 0.00 -0.60 2.35 -0.00 -1.98 -1.93 115.31 113.15 1i4k h LEU 6 Ca 0.42 0.00 -0.15 0.00 -0.00 0.00 0.00 57.88 58.15 1i4k h LEU 6 Cb 0.64 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.28 1i4k h LEU 6 CO -0.90 0.09 -0.66 0.44 -0.00 0.00 0.00 178.44 177.41 1i4k h ASP 7 N 0.00 0.20 0.87 -0.43 3.32 -1.16 -2.68 116.42 116.55 1i4k h ASP 7 Ca -0.00 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1i4k h ASP 7 Cb 0.17 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.65 1i4k h ASP 7 CO 0.01 0.80 -0.22 0.58 -1.72 0.00 0.00 179.24 178.70 1i4k h VAL 8 N 0.12 0.56 0.06 -1.35 2.07 -1.08 -2.83 116.25 113.81 1i4k h VAL 8 Ca -0.01 -1.08 -0.00 0.00 0.82 0.00 0.00 66.70 66.42 1i4k h VAL 8 Cb 1.18 1.73 0.00 0.00 -1.52 0.00 0.00 31.29 32.69 1i4k h VAL 8 CO 0.10 0.22 -0.03 -0.07 0.02 0.00 0.00 177.57 177.81 1i4k h LEU 9 N 0.00 -0.07 -1.23 2.57 3.38 -1.27 -3.15 115.31 115.54 1i4k h LEU 9 Ca -0.00 -0.43 0.29 0.00 0.09 0.00 0.00 57.88 57.83 1i4k h LEU 9 Cb 0.72 0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.37 1i4k h LEU 9 CO 0.03 0.41 0.66 -1.13 0.09 0.00 0.00 178.44 178.50 1i4k h ASN 10 N -0.57 0.49 0.70 -0.43 -0.73 -1.25 0.63 115.58 114.42 1i4k h ASN 10 Ca -0.01 0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.28 1i4k h ASN 10 Cb 0.49 0.05 0.00 0.00 0.27 0.00 0.00 38.32 39.13 1i4k h ASN 10 CO 0.01 0.02 0.00 0.03 -0.37 0.00 0.00 177.43 177.13 1i4k h ARG 11 N 0.39 0.00 -0.02 6.67 3.08 -1.47 -2.79 114.38 120.24 1i4k h ARG 11 Ca 0.66 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.71 1i4k h ARG 11 Cb 1.60 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.65 1i4k h ARG 11 CO -0.40 0.00 -0.04 0.43 -1.07 0.00 0.00 179.97 178.89 1i4k n SER 12 N -2.98 2.09 -4.76 7.04 7.64 0.22 -4.96 113.62 117.91 1i4k n SER 12 Ca -0.00 -1.66 -0.40 0.00 1.01 0.00 0.00 58.87 57.82 1i4k n SER 12 Cb 0.23 0.03 0.02 0.00 -1.01 0.00 0.00 64.21 63.48 1i4k n SER 12 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1i4k s LEU 13 N -2.05 4.05 -0.33 -3.43 1.43 -1.06 -2.40 118.68 114.89 1i4k s LEU 13 Ca 0.32 2.93 0.00 0.00 -1.03 0.00 0.00 54.13 56.35 1i4k s LEU 13 Cb 0.20 -4.00 0.00 0.00 0.03 0.00 0.00 46.19 42.42 1i4k s LEU 13 CO 0.34 -1.29 0.00 0.29 0.23 0.00 0.00 176.35 175.92 1i4k n LYS 14 N -0.38 -1.23 -4.38 1.70 5.02 0.24 -4.97 118.16 114.16 1i4k n LYS 14 Ca 0.06 0.48 -0.23 0.00 -2.02 0.00 0.00 58.31 56.60 1i4k n LYS 14 Cb 0.42 -4.48 -0.11 0.00 -0.02 0.00 0.00 35.03 30.84 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 -2.20 2.98 0.24 4.39 0.01 -1.01 -4.91 113.70 113.21 1i4k s SER 15 Ca 0.00 -0.92 -0.30 0.00 1.31 0.00 0.00 55.95 56.04 1i4k s SER 15 Cb 0.00 -0.20 -0.09 0.00 0.21 0.00 0.00 66.02 65.94 1i4k s SER 15 CO 0.00 -0.01 1.05 -2.16 0.41 0.00 0.00 173.24 172.53 1i4k s PRO 16 N -3.05 4.69 0.13 12.44 0.04 -1.26 -1.49 135.00 146.50 1i4k s PRO 16 Ca 0.20 1.70 0.02 0.00 0.04 0.00 0.00 61.00 62.96 1i4k s PRO 16 Cb -0.05 -3.24 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1i4k s PRO 16 CO 0.09 0.26 -0.03 0.14 0.04 0.00 0.00 177.00 177.50 1i4k s VAL 17 N -0.94 0.66 -0.14 -0.36 -7.23 0.90 -0.54 120.40 112.74 1i4k s VAL 17 Ca 0.45 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.65 1i4k s VAL 17 Cb -0.30 -1.89 -0.02 0.00 0.56 0.00 0.00 36.38 34.74 1i4k s VAL 17 CO 0.37 -0.68 -0.10 -0.63 -0.31 0.00 0.00 175.10 173.75 1i4k s ILE 18 N -3.66 3.33 -0.20 -0.62 1.01 0.66 -2.46 121.20 119.26 1i4k s ILE 18 Ca 0.18 -0.56 0.01 0.00 0.00 0.00 0.00 60.65 60.28 1i4k s ILE 18 Cb 0.06 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 40.14 1i4k s ILE 18 CO -0.01 0.51 -0.12 -0.69 0.00 0.00 0.00 174.94 174.63 1i4k s VAL 19 N 0.37 1.76 0.11 2.92 1.01 -0.13 -1.92 120.40 124.52 1i4k s VAL 19 Ca -0.09 -1.03 -0.09 0.00 0.00 0.00 0.00 61.98 60.77 1i4k s VAL 19 Cb -0.15 -1.78 -0.06 0.00 0.00 0.00 0.00 36.38 34.39 1i4k s VAL 19 CO 0.05 0.24 0.42 -0.60 0.00 0.00 0.00 175.10 175.21 1i4k s ARG 20 N 1.35 3.76 0.38 2.72 3.52 -0.68 -1.44 118.95 128.57 1i4k s ARG 20 Ca -0.00 0.17 0.08 0.00 -0.13 0.00 0.00 55.73 55.84 1i4k s ARG 20 Cb -0.16 -2.93 -0.07 0.00 -1.56 0.00 0.00 34.95 30.23 1i4k s ARG 20 CO -0.09 0.51 -0.03 -0.51 -0.81 0.00 0.00 175.30 174.38 1i4k s LEU 21 N -2.13 2.83 0.36 -0.88 1.43 0.02 -1.13 118.68 119.17 1i4k s LEU 21 Ca 0.36 -1.29 -0.28 0.00 -1.03 0.00 0.00 54.13 51.90 1i4k s LEU 21 Cb -0.13 -0.96 -0.10 0.00 0.03 0.00 0.00 46.19 45.03 1i4k s LEU 21 CO 0.20 -0.35 1.31 -0.54 0.23 0.00 0.00 176.35 177.19 1i4k s LYS 22 N -3.67 4.22 0.00 1.70 1.02 0.08 -2.38 119.74 120.71 1i4k s LYS 22 Ca 0.34 2.20 0.00 0.00 0.02 0.00 0.00 55.97 58.53 1i4k s LYS 22 Cb 0.07 -2.96 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 1i4k s LYS 22 CO 0.18 -0.30 0.00 0.41 -0.92 0.00 0.00 175.35 174.72 1i4k n GLY 23 N 0.74 3.11 0.00 -3.33 0.00 -1.26 -4.47 105.19 99.97 1i4k n GLY 23 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 1.21 3.81 -0.02 0.00 -1.00 -5.13 105.19 104.06 1i4k n GLY 24 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 1i4k n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1i4k s ARG 25 N 0.00 2.78 0.11 1.61 0.52 -1.26 -4.76 118.95 117.94 1i4k s ARG 25 Ca 0.00 1.01 0.02 0.00 -0.52 0.00 0.00 55.73 56.24 1i4k s ARG 25 Cb 0.00 -1.97 -0.04 0.00 0.52 0.00 0.00 34.95 33.46 1i4k s ARG 25 CO 0.00 -1.23 -0.06 -1.21 0.02 0.00 0.00 175.30 172.82 1i4k s GLU 26 N -5.00 0.86 -0.03 3.54 2.02 -0.35 -0.80 118.70 118.95 1i4k s GLU 26 Ca 0.59 -1.35 0.02 0.00 0.02 0.00 0.00 54.97 54.25 1i4k s GLU 26 Cb -0.15 -0.24 0.01 0.00 0.10 0.00 0.00 34.13 33.85 1i4k s GLU 26 CO 0.55 -0.02 -0.08 -0.06 0.02 0.00 0.00 175.26 175.68 1i4k s PHE 27 N -3.61 0.84 -0.12 1.61 0.40 -0.52 0.21 117.98 116.78 1i4k s PHE 27 Ca 0.13 -0.21 0.02 0.00 -0.60 0.00 0.00 56.93 56.28 1i4k s PHE 27 Cb 0.05 -0.62 0.01 0.00 0.51 0.00 0.00 43.02 42.98 1i4k s PHE 27 CO -0.04 -0.10 -0.19 0.50 0.70 0.00 0.00 175.22 176.09 1i4k s ARG 28 N 0.26 2.68 -0.04 0.44 3.52 -0.56 -0.95 118.95 124.30 1i4k s ARG 28 Ca -0.04 -0.73 -0.25 0.00 -0.13 0.00 0.00 55.73 54.58 1i4k s ARG 28 Cb -0.09 -2.18 0.08 0.00 -1.56 0.00 0.00 34.95 31.20 1i4k s ARG 28 CO 0.00 -0.01 1.13 0.41 -0.81 0.00 0.00 175.30 176.02 1i4k n GLY 29 N 4.05 0.22 3.66 8.12 0.00 -1.03 -0.83 105.19 119.39 1i4k n GLY 29 Ca -0.20 -1.01 -0.40 0.00 0.00 0.00 0.00 46.02 44.41 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 -2.02 4.98 -0.29 2.61 2.01 -0.61 -0.07 115.64 122.24 1i4k s THR 30 Ca 0.27 1.31 -0.29 0.00 0.31 0.00 0.00 61.69 63.29 1i4k s THR 30 Cb -0.00 -4.00 -0.01 0.00 0.01 0.00 0.00 72.50 68.50 1i4k s THR 30 CO -0.01 0.09 1.42 -0.22 -0.69 0.00 0.00 174.62 175.21 1i4k s LEU 31 N 1.96 3.84 -0.01 4.42 2.96 -0.56 -0.97 118.68 130.32 1i4k s LEU 31 Ca 0.31 1.28 0.13 0.00 -0.22 0.00 0.00 54.13 55.63 1i4k s LEU 31 Cb -0.16 -3.54 -0.17 0.00 0.50 0.00 0.00 46.19 42.82 1i4k s LEU 31 CO 0.11 -1.19 0.43 -0.67 -1.32 0.00 0.00 176.35 173.70 1i4k n ASP 32 N 8.08 1.26 -3.65 3.68 2.03 -0.25 -0.59 116.55 127.11 1i4k n ASP 32 Ca 0.16 -0.41 0.03 0.00 0.52 0.00 0.00 54.79 55.10 1i4k n ASP 32 Cb 0.46 1.30 0.00 0.00 -0.72 0.00 0.00 41.12 42.17 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 -2.88 -0.41 -0.04 0.27 0.00 -1.23 -4.92 107.32 98.10 1i4k s GLY 33 Ca 0.00 0.71 -0.31 0.00 0.00 0.00 0.00 44.72 45.12 1i4k s GLY 33 CO 0.55 1.48 1.26 -2.52 0.00 0.00 0.00 173.10 173.87 1i4k s TYR 34 N -2.12 -0.06 0.16 1.90 -0.85 -1.26 -1.61 117.35 113.51 1i4k s TYR 34 Ca 0.18 -0.04 0.02 0.00 -0.52 0.00 0.00 57.07 56.72 1i4k s TYR 34 Cb 0.05 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 1i4k s TYR 34 CO -0.05 -0.28 0.08 -0.40 -1.52 0.00 0.00 175.55 173.37 1i4k n ASP 35 N -0.41 0.66 -0.04 -0.18 5.68 -1.08 -4.97 116.55 116.21 1i4k n ASP 35 Ca -0.07 -1.92 0.03 0.00 -0.50 0.00 0.00 54.79 52.33 1i4k n ASP 35 Cb 0.62 0.52 0.38 0.00 -1.14 0.00 0.00 41.12 41.50 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 1.13 0.00 2.12 2.04 -2.02 -1.92 117.51 120.19 1i4k h ILE 36 Ca -0.12 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.47 1i4k h ILE 36 Cb 0.51 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1i4k h ILE 36 CO 0.19 0.13 0.00 1.41 0.00 0.00 0.00 178.15 179.88 1i4k n HIS 37 N -4.45 0.00 -1.15 1.37 8.25 -1.26 -4.86 115.22 113.13 1i4k n HIS 37 Ca 0.04 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.49 1i4k n HIS 37 Cb 0.07 -0.38 -0.00 0.00 1.12 0.00 0.00 29.99 30.80 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 -1.38 -0.07 -2.15 -0.41 2.81 -0.72 -4.24 117.12 110.96 1i4k n MET 38 Ca 0.06 0.47 -0.33 0.00 -1.81 0.00 0.00 57.70 56.10 1i4k n MET 38 Cb 0.16 -4.02 0.00 0.00 -0.71 0.00 0.00 33.22 28.66 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 -2.99 5.88 0.12 7.83 0.01 -1.26 -3.47 114.94 121.06 1i4k s ASN 39 Ca 0.00 1.86 -0.00 0.00 -0.71 0.00 0.00 52.86 54.01 1i4k s ASN 39 Cb 0.00 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 39.08 1i4k s ASN 39 CO 0.00 -1.10 0.02 -0.76 -1.51 0.00 0.00 177.10 173.75 1i4k s LEU 40 N -4.27 2.06 -0.07 0.60 1.43 -0.43 -2.65 118.68 115.34 1i4k s LEU 40 Ca 0.65 -1.14 0.02 0.00 -1.03 0.00 0.00 54.13 52.63 1i4k s LEU 40 Cb -0.17 0.18 0.01 0.00 0.03 0.00 0.00 46.19 46.25 1i4k s LEU 40 CO 0.33 -0.65 -0.12 -0.69 0.23 0.00 0.00 176.35 175.45 1i4k s VAL 41 N -3.92 1.13 -0.06 -1.59 1.01 -0.63 -0.94 120.40 115.40 1i4k s VAL 41 Ca 0.19 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1i4k s VAL 41 Cb 0.07 -1.05 -0.00 0.00 0.00 0.00 0.00 36.38 35.40 1i4k s VAL 41 CO -0.01 0.36 -0.21 -0.76 0.00 0.00 0.00 175.10 174.48 1i4k s LEU 42 N 0.81 1.98 0.12 3.92 1.43 -0.35 -1.09 118.68 125.50 1i4k s LEU 42 Ca -0.12 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.54 1i4k s LEU 42 Cb -0.15 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.83 1i4k s LEU 42 CO 0.02 0.18 0.27 -0.76 0.23 0.00 0.00 176.35 176.28 1i4k s LEU 43 N 0.08 4.34 -0.84 1.79 1.43 -0.14 -0.91 118.68 124.43 1i4k s LEU 43 Ca -0.08 0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 53.25 1i4k s LEU 43 Cb -0.14 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.12 1i4k s LEU 43 CO 0.04 0.09 0.60 0.47 0.23 0.00 0.00 176.35 177.79 1i4k n ASP 44 N -0.21 -4.77 -4.60 2.29 9.92 -0.47 -1.58 116.55 117.14 1i4k n ASP 44 Ca -0.06 -1.00 -0.23 0.00 -0.53 0.00 0.00 54.79 52.97 1i4k n ASP 44 Cb 0.53 -1.61 -0.08 0.00 -0.64 0.00 0.00 41.12 39.32 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 -3.01 3.07 -0.00 2.24 0.00 -0.73 -4.27 121.76 119.06 1i4k s ALA 45 Ca 0.01 -1.75 0.05 0.00 0.00 0.00 0.00 51.96 50.27 1i4k s ALA 45 Cb -0.01 -0.60 -0.01 0.00 0.00 0.00 0.00 23.12 22.50 1i4k s ALA 45 CO 0.90 0.24 -0.15 -1.21 0.00 0.00 0.00 175.76 175.54 1i4k s GLU 46 N -3.64 1.18 0.04 0.00 2.02 -0.01 -1.35 118.70 116.95 1i4k s GLU 46 Ca 0.32 -0.59 -0.13 0.00 0.02 0.00 0.00 54.97 54.58 1i4k s GLU 46 Cb -0.05 -1.16 -0.06 0.00 0.10 0.00 0.00 34.13 32.96 1i4k s GLU 46 CO 0.19 0.31 0.42 -2.00 0.02 0.00 0.00 175.26 174.20 1i4k s GLU 47 N -0.52 3.88 -0.06 1.61 2.12 0.48 -1.49 118.70 124.71 1i4k s GLU 47 Ca 0.05 0.35 0.01 0.00 0.36 0.00 0.00 54.97 55.74 1i4k s GLU 47 Cb -0.06 -3.12 0.02 0.00 0.26 0.00 0.00 34.13 31.23 1i4k s GLU 47 CO -0.00 0.63 -0.05 0.42 -0.54 0.00 0.00 175.26 175.72 1i4k s ILE 48 N -1.22 0.65 -0.07 -3.70 1.01 0.13 -1.89 121.20 116.11 1i4k s ILE 48 Ca 0.28 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1i4k s ILE 48 Cb -0.16 -0.68 0.01 0.00 0.01 0.00 0.00 42.46 41.64 1i4k s ILE 48 CO 0.16 0.27 -0.12 -1.58 0.00 0.00 0.00 174.94 173.67 1i4k s GLN 49 N 1.19 1.68 -1.95 2.79 -0.44 -0.74 -1.21 119.66 120.98 1i4k s GLN 49 Ca -0.06 -0.39 0.00 0.00 -2.50 0.00 0.00 55.36 52.40 1i4k s GLN 49 Cb -0.14 -1.44 0.00 0.00 -1.64 0.00 0.00 33.01 29.79 1i4k s GLN 49 CO -0.02 -0.01 0.00 0.09 0.50 0.00 0.00 175.29 175.85 1i4k n ASN 50 N 3.97 -5.42 0.00 6.67 4.13 -1.26 -2.08 115.26 121.26 1i4k n ASN 50 Ca -0.22 0.33 0.00 0.00 1.68 0.00 0.00 54.58 56.38 1i4k n ASN 50 Cb 0.51 -4.59 0.00 0.00 -1.54 0.00 0.00 39.78 34.17 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 -0.71 0.43 2.98 7.41 0.00 -1.26 -5.04 105.19 109.00 1i4k n GLY 51 Ca -0.21 -0.84 -0.15 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.54 0.45 0.19 1.61 -1.05 -0.88 -5.13 118.70 112.35 1i4k s GLU 52 Ca 0.00 -0.33 -0.30 0.00 -0.15 0.00 0.00 54.97 54.19 1i4k s GLU 52 Cb 0.00 -0.38 -0.09 0.00 -0.44 0.00 0.00 34.13 33.22 1i4k s GLU 52 CO 0.00 0.10 1.40 0.08 0.95 0.00 0.00 175.26 177.79 1i4k s VAL 53 N -0.43 2.98 -0.00 1.83 1.01 -1.26 -1.79 120.40 122.73 1i4k s VAL 53 Ca -0.01 0.77 0.01 0.00 0.00 0.00 0.00 61.98 62.75 1i4k s VAL 53 Cb -0.04 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.83 1i4k s VAL 53 CO -0.00 0.10 0.01 1.33 0.00 0.00 0.00 175.10 176.54 1i4k n VAL 54 N 3.00 0.03 -3.68 2.92 0.24 -0.79 -4.94 118.33 115.11 1i4k n VAL 54 Ca 0.08 -0.03 -0.14 0.00 -2.04 0.00 0.00 64.34 62.21 1i4k n VAL 54 Cb 0.41 -0.09 -0.08 0.00 -1.47 0.00 0.00 33.84 32.61 1i4k n VAL 54 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 1i4k s ARG 55 N -2.05 0.70 -0.09 7.34 0.52 -1.24 -4.98 118.95 119.15 1i4k s ARG 55 Ca -0.00 0.40 0.03 0.00 -0.52 0.00 0.00 55.73 55.64 1i4k s ARG 55 Cb 0.00 0.33 0.01 0.00 0.52 0.00 0.00 34.95 35.81 1i4k s ARG 55 CO 0.04 -0.15 -0.20 0.15 0.02 0.00 0.00 175.30 175.16 1i4k s LYS 56 N -0.41 2.65 0.02 3.54 1.02 -1.26 -0.38 119.74 124.91 1i4k s LYS 56 Ca -0.06 -0.74 0.02 0.00 0.02 0.00 0.00 55.97 55.22 1i4k s LYS 56 Cb -0.03 -2.06 -0.01 0.00 -0.52 0.00 0.00 37.83 35.21 1i4k s LYS 56 CO 0.03 0.11 -0.07 0.14 -0.92 0.00 0.00 175.35 174.64 1i4k s VAL 57 N 0.50 0.53 0.45 3.17 -7.23 -0.46 -5.02 120.40 112.35 1i4k s VAL 57 Ca -0.16 -0.63 0.25 0.00 -1.81 0.00 0.00 61.98 59.62 1i4k s VAL 57 Cb -0.17 -0.52 0.28 0.00 0.56 0.00 0.00 36.38 36.53 1i4k s VAL 57 CO 0.06 -0.09 2.08 1.23 -0.31 0.00 0.00 175.10 178.08 1i4k h GLY 58 N 5.32 0.00 -4.18 2.32 0.00 -1.93 -1.95 103.07 102.64 1i4k h GLY 58 Ca -0.32 0.00 0.17 0.00 0.00 0.00 0.00 47.33 47.18 1i4k h GLY 58 CO 0.46 0.00 0.70 -1.35 0.00 0.00 0.00 176.54 176.35 1i4k s SER 59 N -6.35 -0.23 -0.02 0.19 1.04 -1.26 -1.37 113.70 105.70 1i4k s SER 59 Ca -0.03 0.15 -0.17 0.00 0.48 0.00 0.00 55.95 56.38 1i4k s SER 59 Cb 0.14 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.50 1i4k s SER 59 CO 0.60 -0.29 0.35 0.68 0.98 0.00 0.00 173.24 175.57 1i4k s VAL 60 N -1.77 0.05 -0.20 5.02 -7.23 -0.08 -4.97 120.40 111.21 1i4k s VAL 60 Ca 0.05 -0.40 -0.03 0.00 -1.81 0.00 0.00 61.98 59.80 1i4k s VAL 60 Cb -0.01 -0.65 -0.01 0.00 0.56 0.00 0.00 36.38 36.27 1i4k s VAL 60 CO -0.04 -0.22 -0.07 -0.69 -0.31 0.00 0.00 175.10 173.77 1i4k s VAL 61 N -1.23 3.20 -0.19 1.32 1.01 -1.26 -1.22 120.40 122.03 1i4k s VAL 61 Ca -0.13 -0.56 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 1i4k s VAL 61 Cb -0.05 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.89 1i4k s VAL 61 CO 0.05 0.46 -0.02 -0.63 0.00 0.00 0.00 175.10 174.95 1i4k s ILE 62 N 1.21 3.79 -0.03 2.22 1.01 -0.11 -4.95 121.20 124.34 1i4k s ILE 62 Ca 0.02 -0.37 -0.30 0.00 0.00 0.00 0.00 60.65 60.00 1i4k s ILE 62 Cb -0.14 -2.70 -0.06 0.00 0.01 0.00 0.00 42.46 39.57 1i4k s ILE 62 CO -0.03 0.45 1.58 -0.13 0.00 0.00 0.00 174.94 176.81 1i4k s ARG 63 N 0.85 4.21 0.29 2.79 1.81 -1.26 -1.32 118.95 126.32 1i4k s ARG 63 Ca -0.00 2.14 0.02 0.00 -1.72 0.00 0.00 55.73 56.16 1i4k s ARG 63 Cb -0.14 -3.82 0.71 0.00 -0.45 0.00 0.00 34.95 31.25 1i4k s ARG 63 CO 0.02 -0.76 1.63 0.78 -0.68 0.00 0.00 175.30 176.28 1i4k h GLY 64 N 9.52 1.31 0.06 -3.53 0.00 -1.73 -0.03 103.07 108.66 1i4k h GLY 64 Ca -0.39 0.02 0.27 0.00 0.00 0.00 0.00 47.33 47.23 1i4k h GLY 64 CO 0.94 -0.40 0.68 -1.80 0.00 0.00 0.00 176.54 175.96 1i4k h ASP 65 N 0.15 0.15 0.52 0.19 1.82 -1.87 -0.04 116.42 117.33 1i4k h ASP 65 Ca 0.56 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 57.22 1i4k h ASP 65 Cb 1.13 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.14 1i4k h ASP 65 CO -0.71 0.04 -0.28 1.07 -1.61 0.00 0.00 179.24 177.75 1i4k n THR 66 N -4.35 0.00 -2.58 2.25 5.66 -0.03 -4.92 114.28 110.32 1i4k n THR 66 Ca 0.21 -0.03 -0.40 0.00 -3.05 0.00 0.00 64.05 60.77 1i4k n THR 66 Cb 0.96 0.06 -0.05 0.00 -1.55 0.00 0.00 70.33 69.74 1i4k n THR 66 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1i4k s VAL 67 N -2.80 3.76 -0.20 1.08 1.01 -0.03 -0.74 120.40 122.48 1i4k s VAL 67 Ca 0.18 1.73 -0.13 0.00 0.00 0.00 0.00 61.98 63.75 1i4k s VAL 67 Cb 0.19 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.38 1i4k s VAL 67 CO 0.59 0.39 -0.30 0.52 0.00 0.00 0.00 175.10 176.30 1i4k n VAL 68 N 1.49 1.37 -3.54 2.92 0.31 -0.29 -4.80 118.33 115.79 1i4k n VAL 68 Ca -0.01 -0.13 -0.11 0.00 -0.01 0.00 0.00 64.34 64.08 1i4k n VAL 68 Cb 0.46 -1.99 -0.03 0.00 -0.91 0.00 0.00 33.84 31.36 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 -2.57 -0.37 -0.03 3.52 -0.12 -1.20 -5.00 117.98 112.21 1i4k s PHE 69 Ca -0.30 0.12 0.02 0.00 -0.05 0.00 0.00 56.93 56.73 1i4k s PHE 69 Cb 0.09 0.40 0.01 0.00 -0.63 0.00 0.00 43.02 42.88 1i4k s PHE 69 CO 0.40 -0.76 -0.09 0.08 -0.05 0.00 0.00 175.22 174.80 1i4k s VAL 70 N -3.68 0.77 -0.03 -2.49 1.01 -1.26 -1.68 120.40 113.04 1i4k s VAL 70 Ca 0.01 -0.33 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 1i4k s VAL 70 Cb 0.00 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.72 1i4k s VAL 70 CO -0.12 0.25 0.35 -0.94 0.00 0.00 0.00 175.10 174.64 1i4k s SER 71 N 0.31 -0.25 0.30 3.32 1.04 -0.81 -4.98 113.70 112.63 1i4k s SER 71 Ca -0.05 0.20 -0.29 0.00 0.48 0.00 0.00 55.95 56.29 1i4k s SER 71 Cb -0.10 0.37 -0.10 0.00 0.10 0.00 0.00 66.02 66.29 1i4k s SER 71 CO 0.01 -0.44 1.41 -2.16 0.98 0.00 0.00 173.24 173.03 1i4k s PRO 72 N -1.19 4.27 0.00 4.02 0.04 -1.26 -0.25 135.00 140.63 1i4k s PRO 72 Ca -0.12 2.33 0.04 0.00 0.04 0.00 0.00 61.00 63.28 1i4k s PRO 72 Cb -0.05 -3.07 0.22 0.00 0.04 0.00 0.00 34.50 31.65 1i4k s PRO 72 CO 0.04 -0.36 0.70 0.00 0.04 0.00 0.00 177.00 177.42