#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 0.73 0.31 -0.52 6.06 -1.26 -5.03 118.95 119.24 1i4k s ARG 4 Ca 0.00 -0.14 0.13 0.00 -2.50 0.00 0.00 55.73 53.21 1i4k s ARG 4 Cb 0.00 -0.73 1.01 0.00 0.06 0.00 0.00 34.95 35.28 1i4k s ARG 4 CO 0.00 -0.01 1.37 -2.30 -2.50 0.00 0.00 175.30 171.86 1i4k n PRO 5 N 3.69 -0.06 0.08 5.12 -0.02 -1.26 0.11 135.00 142.67 1i4k n PRO 5 Ca -0.22 1.24 -0.04 0.00 -2.02 0.00 0.00 63.50 62.46 1i4k n PRO 5 Cb 0.53 -2.13 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 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 -0.30 2.45 3.38 -1.98 -2.91 115.31 115.94 1i4k h LEU 6 Ca 0.67 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.55 1i4k h LEU 6 Cb 1.67 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.41 1i4k h LEU 6 CO -0.72 0.84 -0.16 0.44 0.09 0.00 0.00 178.44 178.93 1i4k h ASP 7 N 0.00 0.66 -0.05 -0.43 5.19 0.42 -1.96 116.42 120.26 1i4k h ASP 7 Ca -0.01 -0.42 0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1i4k h ASP 7 Cb 1.65 -0.18 -0.00 0.00 0.18 0.00 0.00 39.33 40.98 1i4k h ASP 7 CO 0.11 0.94 0.04 0.58 -3.12 0.00 0.00 179.24 177.78 1i4k h VAL 8 N 0.40 0.87 0.01 -1.35 2.07 -0.44 0.76 116.25 118.56 1i4k h VAL 8 Ca 0.06 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.40 1i4k h VAL 8 Cb 0.69 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1i4k h VAL 8 CO 0.05 0.00 -0.88 -0.07 0.02 0.00 0.00 177.57 176.68 1i4k h LEU 9 N 0.00 0.08 -0.22 2.57 3.38 -1.21 -3.16 115.31 116.74 1i4k h LEU 9 Ca 0.02 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 1i4k h LEU 9 Cb 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1i4k h LEU 9 CO -0.00 0.92 -0.51 -1.13 0.09 0.00 0.00 178.44 177.81 1i4k h ASN 10 N 0.03 0.00 -0.25 -0.43 -0.73 -0.21 -2.71 115.58 111.28 1i4k h ASN 10 Ca -0.02 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.15 1i4k h ASN 10 Cb 1.54 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.13 1i4k h ASN 10 CO 0.12 0.51 0.00 -2.11 -0.37 0.00 0.00 177.43 175.58 1i4k n ARG 11 N -3.30 1.78 0.00 6.67 1.85 -0.07 -3.17 116.66 120.42 1i4k n ARG 11 Ca 0.01 -0.98 0.00 0.00 -1.00 0.00 0.00 57.85 55.88 1i4k n ARG 11 Cb 0.70 -1.33 0.00 0.00 -1.05 0.00 0.00 32.46 30.78 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 0.26 0.98 -4.72 2.89 7.64 -1.03 -5.02 113.62 114.61 1i4k n SER 12 Ca 0.09 -1.10 -0.42 0.00 1.01 0.00 0.00 58.87 58.44 1i4k n SER 12 Cb 0.30 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.49 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 -0.05 3.98 0.00 -3.43 4.77 -1.19 -1.98 117.00 119.10 1i4k n LEU 13 Ca 0.00 1.20 0.00 0.00 -0.03 0.00 0.00 56.01 57.18 1i4k n LEU 13 Cb 0.06 -1.53 0.00 0.00 -2.33 0.00 0.00 43.42 39.62 1i4k n LEU 13 CO 0.00 -0.19 0.00 0.29 -1.33 0.00 0.00 177.39 176.16 1i4k n LYS 14 N 0.98 0.00 -3.57 3.23 5.02 0.32 -4.96 118.16 119.18 1i4k n LYS 14 Ca 0.05 0.00 -0.38 0.00 -2.02 0.00 0.00 58.31 55.97 1i4k n LYS 14 Cb 0.36 -2.22 -0.06 0.00 -0.02 0.00 0.00 35.03 33.10 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 -3.43 6.68 0.73 4.39 0.01 -0.84 -4.65 113.70 116.60 1i4k s SER 15 Ca 0.00 0.81 -0.16 0.00 1.31 0.00 0.00 55.95 57.92 1i4k s SER 15 Cb 0.00 -2.21 0.04 0.00 0.21 0.00 0.00 66.02 64.06 1i4k s SER 15 CO 0.00 0.30 1.24 -0.81 0.41 0.00 0.00 173.24 174.38 1i4k n PRO 16 N 2.13 0.63 -3.96 12.44 -0.04 -1.26 -2.06 135.00 142.88 1i4k n PRO 16 Ca -0.15 0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 1i4k n PRO 16 Cb 0.53 -2.47 -0.03 0.00 -0.04 0.00 0.00 33.50 31.48 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 -1.77 0.00 -0.21 0.52 -7.23 0.17 -2.21 120.40 109.68 1i4k s VAL 17 Ca 0.78 -1.31 0.00 0.00 -1.81 0.00 0.00 61.98 59.64 1i4k s VAL 17 Cb -0.34 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.19 1i4k s VAL 17 CO 0.46 0.00 -0.15 -0.63 -0.31 0.00 0.00 175.10 174.47 1i4k s ILE 18 N -3.38 2.37 -0.29 -0.62 1.01 0.14 -2.83 121.20 117.60 1i4k s ILE 18 Ca 0.21 -0.99 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1i4k s ILE 18 Cb -0.02 -2.10 -0.00 0.00 0.01 0.00 0.00 42.46 40.35 1i4k s ILE 18 CO 0.12 0.40 0.10 -0.69 0.00 0.00 0.00 174.94 174.86 1i4k s VAL 19 N 1.30 4.19 -0.08 2.92 1.01 -0.40 -1.17 120.40 128.17 1i4k s VAL 19 Ca 0.02 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.35 1i4k s VAL 19 Cb -0.15 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.07 1i4k s VAL 19 CO -0.09 0.12 0.29 -0.60 0.00 0.00 0.00 175.10 174.82 1i4k s ARG 20 N 1.55 3.84 0.33 2.72 6.06 0.14 -0.90 118.95 132.69 1i4k s ARG 20 Ca 0.04 0.16 0.07 0.00 -2.50 0.00 0.00 55.73 53.50 1i4k s ARG 20 Cb -0.17 -3.26 -0.06 0.00 0.06 0.00 0.00 34.95 31.52 1i4k s ARG 20 CO 0.04 0.62 -0.03 -0.51 -2.50 0.00 0.00 175.30 172.91 1i4k s LEU 21 N -0.71 2.57 0.54 -0.88 1.43 -0.80 -0.26 118.68 120.56 1i4k s LEU 21 Ca 0.19 -1.26 -0.20 0.00 -1.03 0.00 0.00 54.13 51.83 1i4k s LEU 21 Cb -0.14 -0.74 -0.06 0.00 0.03 0.00 0.00 46.19 45.29 1i4k s LEU 21 CO 0.08 -0.37 1.17 -0.54 0.23 0.00 0.00 176.35 176.91 1i4k s LYS 22 N -3.72 3.35 0.00 1.70 1.02 -0.52 -3.42 119.74 118.15 1i4k s LYS 22 Ca 0.32 1.73 0.00 0.00 0.02 0.00 0.00 55.97 58.04 1i4k s LYS 22 Cb 0.05 -2.09 0.00 0.00 -0.52 0.00 0.00 37.83 35.27 1i4k s LYS 22 CO 0.15 -0.88 0.00 0.41 -0.92 0.00 0.00 175.35 174.11 1i4k n GLY 23 N 0.33 3.05 0.00 -3.33 0.00 -1.26 -4.22 105.19 99.76 1i4k n GLY 23 Ca 0.11 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.72 3.94 -0.02 0.00 -1.22 -5.06 105.19 103.55 1i4k n GLY 24 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 3.22 -0.01 1.61 0.52 -1.26 -3.82 118.95 119.21 1i4k s ARG 25 Ca 0.00 -0.28 -0.24 0.00 -0.52 0.00 0.00 55.73 54.69 1i4k s ARG 25 Cb 0.00 -2.52 0.05 0.00 0.52 0.00 0.00 34.95 33.01 1i4k s ARG 25 CO 0.00 -0.21 0.54 -2.00 0.02 0.00 0.00 175.30 173.64 1i4k s GLU 26 N -4.58 0.95 -0.04 3.54 2.12 0.08 -1.90 118.70 118.88 1i4k s GLU 26 Ca 0.47 0.00 0.04 0.00 0.36 0.00 0.00 54.97 55.84 1i4k s GLU 26 Cb -0.10 0.44 -0.00 0.00 0.26 0.00 0.00 34.13 34.73 1i4k s GLU 26 CO 0.39 -0.30 -0.15 -0.06 -0.54 0.00 0.00 175.26 174.60 1i4k s PHE 27 N -1.57 1.52 -0.19 5.30 0.40 -0.08 -0.20 117.98 123.16 1i4k s PHE 27 Ca -0.10 -0.41 -0.01 0.00 -0.60 0.00 0.00 56.93 55.81 1i4k s PHE 27 Cb -0.02 -1.03 0.01 0.00 0.51 0.00 0.00 43.02 42.49 1i4k s PHE 27 CO 0.05 -0.14 -0.13 1.03 0.70 0.00 0.00 175.22 176.73 1i4k s ARG 28 N 0.03 3.16 0.00 0.44 0.52 -0.61 -1.27 118.95 121.21 1i4k s ARG 28 Ca -0.03 -0.74 0.00 0.00 -0.52 0.00 0.00 55.73 54.44 1i4k s ARG 28 Cb -0.10 -2.75 0.00 0.00 0.52 0.00 0.00 34.95 32.62 1i4k s ARG 28 CO 0.01 -0.19 0.00 0.41 0.02 0.00 0.00 175.30 175.56 1i4k n GLY 29 N 4.65 1.16 3.62 -3.53 0.00 -1.13 -0.55 105.19 109.40 1i4k n GLY 29 Ca -0.20 -0.89 -0.36 0.00 0.00 0.00 0.00 46.02 44.58 1i4k n GLY 29 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1i4k s THR 30 N -2.46 5.00 -0.40 2.61 -4.23 -0.45 0.46 115.64 116.17 1i4k s THR 30 Ca 0.00 0.05 -0.27 0.00 -1.18 0.00 0.00 61.69 60.29 1i4k s THR 30 Cb 0.00 -3.31 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 1i4k s THR 30 CO 0.00 0.38 2.03 -0.22 -0.54 0.00 0.00 174.62 176.27 1i4k s LEU 31 N 0.92 3.43 0.00 4.79 2.96 -0.87 -1.45 118.68 128.45 1i4k s LEU 31 Ca 0.06 1.19 0.19 0.00 -0.22 0.00 0.00 54.13 55.34 1i4k s LEU 31 Cb -0.13 -3.10 0.09 0.00 0.50 0.00 0.00 46.19 43.54 1i4k s LEU 31 CO 0.03 -2.14 1.05 -0.67 -1.32 0.00 0.00 176.35 173.29 1i4k n ASP 32 N 12.26 2.29 0.00 3.68 2.03 0.28 0.12 116.55 137.21 1i4k n ASP 32 Ca 0.27 -1.65 0.00 0.00 0.52 0.00 0.00 54.79 53.93 1i4k n ASP 32 Cb 0.49 0.18 0.00 0.00 -0.72 0.00 0.00 41.12 41.07 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 1.15 1.71 3.79 0.27 0.00 -1.11 -4.91 105.19 106.09 1i4k n GLY 33 Ca 0.10 -0.87 -0.02 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.04 0.22 1.61 -0.85 -1.26 -0.82 117.35 114.21 1i4k s TYR 34 Ca 0.00 -0.27 0.05 0.00 -0.52 0.00 0.00 57.07 56.33 1i4k s TYR 34 Cb 0.00 0.65 -0.02 0.00 0.38 0.00 0.00 41.96 42.97 1i4k s TYR 34 CO 0.00 -0.77 0.19 -0.40 -1.52 0.00 0.00 175.55 173.05 1i4k n ASP 35 N -0.76 -0.49 -0.32 -0.18 5.68 -1.11 -4.95 116.55 114.42 1i4k n ASP 35 Ca -0.05 -2.43 0.07 0.00 -0.50 0.00 0.00 54.79 51.88 1i4k n ASP 35 Cb 0.60 1.13 0.23 0.00 -1.14 0.00 0.00 41.12 41.94 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 1.70 0.82 0.00 2.12 5.03 -2.02 0.17 117.51 125.33 1i4k h ILE 36 Ca -0.16 -0.27 0.00 0.00 -0.12 0.00 0.00 64.86 64.32 1i4k h ILE 36 Cb 0.79 -0.03 0.00 0.00 -3.03 0.00 0.00 36.82 34.55 1i4k h ILE 36 CO 0.23 0.14 0.00 1.41 -0.68 0.00 0.00 178.15 179.25 1i4k n HIS 37 N -4.76 0.00 -1.97 1.37 8.25 -1.26 -4.89 115.22 111.96 1i4k n HIS 37 Ca 0.17 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.58 1i4k n HIS 37 Cb 0.39 -0.37 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 -1.37 -0.42 -2.39 -0.41 2.81 0.58 -4.35 117.12 111.57 1i4k n MET 38 Ca 0.09 0.32 -0.40 0.00 -1.81 0.00 0.00 57.70 55.89 1i4k n MET 38 Cb 0.22 -4.10 -0.04 0.00 -0.71 0.00 0.00 33.22 28.59 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 -2.79 7.15 0.26 7.83 0.01 -1.26 -3.31 114.94 122.84 1i4k s ASN 39 Ca 0.00 2.36 0.11 0.00 -0.71 0.00 0.00 52.86 54.62 1i4k s ASN 39 Cb 0.00 -2.63 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 1i4k s ASN 39 CO 0.00 -0.24 -0.14 -0.76 -1.51 0.00 0.00 177.10 174.45 1i4k s LEU 40 N -1.43 2.78 -0.20 0.60 1.43 0.16 -2.75 118.68 119.26 1i4k s LEU 40 Ca 0.46 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 1i4k s LEU 40 Cb -0.34 -1.33 0.05 0.00 0.03 0.00 0.00 46.19 44.61 1i4k s LEU 40 CO 0.43 0.04 -0.06 -0.69 0.23 0.00 0.00 176.35 176.30 1i4k s VAL 41 N -2.34 1.37 0.21 -1.59 1.01 -0.00 0.09 120.40 119.15 1i4k s VAL 41 Ca 0.29 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.38 1i4k s VAL 41 Cb -0.06 -1.58 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 1i4k s VAL 41 CO 0.16 0.02 0.10 -0.76 0.00 0.00 0.00 175.10 174.62 1i4k s LEU 42 N 1.49 3.59 0.03 3.92 1.43 -0.45 0.10 118.68 128.80 1i4k s LEU 42 Ca -0.03 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.80 1i4k s LEU 42 Cb -0.17 -2.17 -0.02 0.00 0.03 0.00 0.00 46.19 43.86 1i4k s LEU 42 CO -0.07 0.02 -0.13 -0.76 0.23 0.00 0.00 176.35 175.64 1i4k s LEU 43 N -3.43 2.15 -1.17 1.79 1.43 -0.53 -1.69 118.68 117.24 1i4k s LEU 43 Ca 0.31 -0.42 -0.14 0.00 -1.03 0.00 0.00 54.13 52.86 1i4k s LEU 43 Cb -0.08 -0.55 -0.02 0.00 0.03 0.00 0.00 46.19 45.57 1i4k s LEU 43 CO 0.22 0.03 0.78 0.47 0.23 0.00 0.00 176.35 178.08 1i4k n ASP 44 N 2.03 -4.56 -4.71 2.29 9.92 0.75 -1.34 116.55 120.93 1i4k n ASP 44 Ca -0.18 -0.93 -0.32 0.00 -0.53 0.00 0.00 54.79 52.83 1i4k n ASP 44 Cb 0.55 -3.78 -0.08 0.00 -0.64 0.00 0.00 41.12 37.17 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 -3.52 3.38 -0.03 2.24 0.00 -0.08 -4.46 121.76 119.29 1i4k s ALA 45 Ca 0.37 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.37 1i4k s ALA 45 Cb -0.11 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 1i4k s ALA 45 CO 0.83 0.69 -0.10 -1.21 0.00 0.00 0.00 175.76 175.97 1i4k s GLU 46 N -1.92 2.54 -0.27 0.00 8.01 0.29 -0.73 118.70 126.62 1i4k s GLU 46 Ca 0.23 -0.69 -0.09 0.00 0.01 0.00 0.00 54.97 54.43 1i4k s GLU 46 Cb -0.12 -2.46 -0.03 0.00 -4.31 0.00 0.00 34.13 27.21 1i4k s GLU 46 CO 0.15 0.62 0.12 -2.00 0.01 0.00 0.00 175.26 174.16 1i4k s GLU 47 N -1.08 3.73 -0.12 1.61 2.12 -0.07 -1.58 118.70 123.32 1i4k s GLU 47 Ca 0.14 -0.44 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 1i4k s GLU 47 Cb -0.11 -3.48 -0.02 0.00 0.26 0.00 0.00 34.13 30.78 1i4k s GLU 47 CO 0.04 -0.21 -0.08 0.42 -0.54 0.00 0.00 175.26 174.89 1i4k s ILE 48 N 1.67 3.56 -0.02 -3.70 1.09 0.72 0.75 121.20 125.26 1i4k s ILE 48 Ca 0.06 -0.50 0.03 0.00 -1.10 0.00 0.00 60.65 59.15 1i4k s ILE 48 Cb -0.16 -2.50 -0.00 0.00 -1.06 0.00 0.00 42.46 38.74 1i4k s ILE 48 CO 0.07 0.54 -0.11 -1.58 -0.10 0.00 0.00 174.94 173.76 1i4k s GLN 49 N -0.04 1.00 -1.15 2.79 2.00 0.11 -0.74 119.66 123.65 1i4k s GLN 49 Ca -0.01 -0.38 -0.08 0.00 -2.00 0.00 0.00 55.36 52.89 1i4k s GLN 49 Cb -0.14 -0.95 0.07 0.00 0.80 0.00 0.00 33.01 32.80 1i4k s GLN 49 CO 0.03 0.19 0.38 0.09 -0.50 0.00 0.00 175.29 175.48 1i4k n ASN 50 N 3.02 -3.21 -0.35 6.67 4.13 -1.25 0.58 115.26 124.85 1i4k n ASN 50 Ca -0.16 -0.28 -0.05 0.00 1.68 0.00 0.00 54.58 55.77 1i4k n ASN 50 Cb 0.55 -2.70 -0.02 0.00 -1.54 0.00 0.00 39.78 36.07 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 -1.03 0.73 2.90 7.41 0.00 -1.26 -5.02 105.19 108.91 1i4k n GLY 51 Ca -0.02 -0.72 -0.17 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.20 0.50 0.26 1.61 2.02 0.20 -5.11 118.70 115.98 1i4k s GLU 52 Ca 0.00 -0.09 -0.30 0.00 0.02 0.00 0.00 54.97 54.60 1i4k s GLU 52 Cb 0.00 -0.55 -0.11 0.00 0.10 0.00 0.00 34.13 33.58 1i4k s GLU 52 CO 0.00 -0.01 1.54 0.08 0.02 0.00 0.00 175.26 176.89 1i4k s VAL 53 N 0.50 2.32 -0.04 2.63 1.01 -1.26 0.09 120.40 125.65 1i4k s VAL 53 Ca -0.06 0.26 0.06 0.00 0.00 0.00 0.00 61.98 62.24 1i4k s VAL 53 Cb -0.09 -3.17 0.09 0.00 0.00 0.00 0.00 36.38 33.21 1i4k s VAL 53 CO -0.00 0.04 0.95 1.33 0.00 0.00 0.00 175.10 177.41 1i4k n VAL 54 N 2.46 0.78 0.00 2.92 0.24 0.23 -4.87 118.33 120.09 1i4k n VAL 54 Ca 0.08 -0.90 0.00 0.00 -2.04 0.00 0.00 64.34 61.49 1i4k n VAL 54 Cb 0.38 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 1i4k n VAL 54 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1i4k n ARG 55 N -0.54 0.00 -3.68 7.34 0.63 -1.21 -4.93 116.66 114.26 1i4k n ARG 55 Ca 0.05 0.00 -0.09 0.00 -0.92 0.00 0.00 57.85 56.89 1i4k n ARG 55 Cb 0.55 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.36 1i4k n ARG 55 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 1i4k s LYS 56 N -2.00 0.40 0.05 -0.14 2.20 -1.26 -0.89 119.74 118.11 1i4k s LYS 56 Ca 0.00 0.91 0.03 0.00 -0.36 0.00 0.00 55.97 56.55 1i4k s LYS 56 Cb 0.00 0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1i4k s LYS 56 CO 0.00 -0.18 -0.10 0.14 -0.36 0.00 0.00 175.35 174.85 1i4k s VAL 57 N 1.80 0.73 0.39 4.02 -7.23 0.09 -5.00 120.40 115.19 1i4k s VAL 57 Ca -0.07 -1.16 0.09 0.00 -1.81 0.00 0.00 61.98 59.03 1i4k s VAL 57 Cb -0.09 -0.77 0.16 0.00 0.56 0.00 0.00 36.38 36.24 1i4k s VAL 57 CO -0.14 -0.33 1.92 1.23 -0.31 0.00 0.00 175.10 177.47 1i4k h GLY 58 N 4.42 0.28 -4.27 2.32 0.00 -1.94 -0.19 103.07 103.70 1i4k h GLY 58 Ca -0.37 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 46.74 1i4k h GLY 58 CO 0.41 0.16 0.19 -1.35 0.00 0.00 0.00 176.54 175.94 1i4k s SER 59 N -6.87 -0.67 -0.08 0.19 1.04 -1.26 -0.18 113.70 105.87 1i4k s SER 59 Ca -0.06 0.89 -0.07 0.00 0.48 0.00 0.00 55.95 57.19 1i4k s SER 59 Cb 0.15 0.76 0.02 0.00 0.10 0.00 0.00 66.02 67.06 1i4k s SER 59 CO 0.73 -0.51 0.22 0.68 0.98 0.00 0.00 173.24 175.34 1i4k s VAL 60 N -0.80 -0.01 -0.26 5.02 -7.23 -0.68 -4.98 120.40 111.46 1i4k s VAL 60 Ca -0.08 0.02 -0.10 0.00 -1.81 0.00 0.00 61.98 60.01 1i4k s VAL 60 Cb -0.01 -0.31 -0.05 0.00 0.56 0.00 0.00 36.38 36.57 1i4k s VAL 60 CO 0.07 0.01 0.16 -0.69 -0.31 0.00 0.00 175.10 174.35 1i4k s VAL 61 N 0.28 5.21 -0.06 1.32 1.01 -1.26 -1.34 120.40 125.56 1i4k s VAL 61 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1i4k s VAL 61 Cb -0.03 -3.46 -0.03 0.00 0.00 0.00 0.00 36.38 32.87 1i4k s VAL 61 CO -0.01 0.30 -0.11 -0.63 0.00 0.00 0.00 175.10 174.65 1i4k s ILE 62 N 1.45 3.38 -0.17 2.22 1.01 0.11 -4.95 121.20 124.25 1i4k s ILE 62 Ca 0.07 -0.60 -0.26 0.00 0.00 0.00 0.00 60.65 59.86 1i4k s ILE 62 Cb -0.15 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1i4k s ILE 62 CO 0.08 0.59 0.89 -0.13 0.00 0.00 0.00 174.94 176.37 1i4k s ARG 63 N -0.75 4.30 0.52 2.79 1.81 -1.26 0.35 118.95 126.71 1i4k s ARG 63 Ca 0.12 1.12 0.30 0.00 -1.72 0.00 0.00 55.73 55.55 1i4k s ARG 63 Cb -0.11 -3.58 1.44 0.00 -0.45 0.00 0.00 34.95 32.25 1i4k s ARG 63 CO 0.01 -0.39 1.87 0.78 -0.68 0.00 0.00 175.30 176.90 1i4k h GLY 64 N 8.51 0.13 0.71 -3.53 0.00 -1.75 0.91 103.07 108.05 1i4k h GLY 64 Ca -0.28 -0.03 0.17 0.00 0.00 0.00 0.00 47.33 47.20 1i4k h GLY 64 CO 0.86 -0.01 0.47 -1.80 0.00 0.00 0.00 176.54 176.07 1i4k h ASP 65 N 0.05 0.18 0.82 0.19 -0.00 -1.87 -0.17 116.42 115.62 1i4k h ASP 65 Ca 0.45 0.01 0.00 0.00 -0.00 0.00 0.00 57.03 57.50 1i4k h ASP 65 Cb 1.72 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 41.03 1i4k h ASP 65 CO -0.03 0.09 -0.81 0.74 -0.00 0.00 0.00 179.24 179.22 1i4k h THR 66 N 0.19 0.00 -3.93 2.25 2.02 -1.22 -3.48 112.91 108.74 1i4k h THR 66 Ca 0.33 -0.63 -0.50 0.00 0.77 0.00 0.00 66.41 66.38 1i4k h THR 66 Cb 1.04 1.13 0.04 0.00 -1.74 0.00 0.00 68.15 68.63 1i4k h THR 66 CO -0.06 0.00 0.49 -0.69 0.37 0.00 0.00 175.52 175.63 1i4k s VAL 67 N -3.23 3.26 -0.14 3.16 1.01 -0.08 -1.44 120.40 122.94 1i4k s VAL 67 Ca 0.04 1.07 -0.09 0.00 0.00 0.00 0.00 61.98 63.00 1i4k s VAL 67 Cb 0.12 -3.60 -0.06 0.00 0.00 0.00 0.00 36.38 32.84 1i4k s VAL 67 CO 0.76 0.11 -0.21 0.52 0.00 0.00 0.00 175.10 176.27 1i4k n VAL 68 N 0.19 1.05 -3.45 2.92 0.31 0.63 -4.82 118.33 115.16 1i4k n VAL 68 Ca 0.04 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 64.15 1i4k n VAL 68 Cb 0.47 -1.82 -0.03 0.00 -0.91 0.00 0.00 33.84 31.56 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 -2.37 -0.51 -0.06 3.52 -0.12 -1.18 -5.00 117.98 112.27 1i4k s PHE 69 Ca -0.21 0.33 0.04 0.00 -0.05 0.00 0.00 56.93 57.03 1i4k s PHE 69 Cb 0.07 0.52 0.00 0.00 -0.63 0.00 0.00 43.02 42.98 1i4k s PHE 69 CO 0.28 -0.82 -0.16 0.08 -0.05 0.00 0.00 175.22 174.55 1i4k s VAL 70 N -3.60 1.41 -0.04 -2.49 1.01 -1.26 -0.68 120.40 114.75 1i4k s VAL 70 Ca 0.00 -0.68 -0.01 0.00 0.00 0.00 0.00 61.98 61.30 1i4k s VAL 70 Cb -0.01 -1.23 0.03 0.00 0.00 0.00 0.00 36.38 35.18 1i4k s VAL 70 CO -0.11 0.41 0.07 -0.94 0.00 0.00 0.00 175.10 174.53 1i4k s SER 71 N 0.27 0.09 0.25 3.32 1.04 -0.31 -4.96 113.70 113.40 1i4k s SER 71 Ca -0.09 0.14 -0.30 0.00 0.48 0.00 0.00 55.95 56.17 1i4k s SER 71 Cb -0.14 0.02 -0.11 0.00 0.10 0.00 0.00 66.02 65.90 1i4k s SER 71 CO 0.03 -0.15 1.52 -2.16 0.98 0.00 0.00 173.24 173.47 1i4k s PRO 72 N 1.21 4.20 0.00 4.02 0.04 -1.26 0.26 135.00 143.47 1i4k s PRO 72 Ca -0.08 2.42 0.09 0.00 0.04 0.00 0.00 61.00 63.47 1i4k s PRO 72 Cb -0.12 -3.08 0.07 0.00 0.04 0.00 0.00 34.50 31.41 1i4k s PRO 72 CO -0.04 -0.53 0.79 0.00 0.04 0.00 0.00 177.00 177.26