#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4k n PRO 3 N 0.00 -1.91 -4.80 0.52 -0.02 -1.26 -4.99 135.00 122.54 1i4k n PRO 3 Ca 0.00 -0.56 -0.33 0.00 -2.02 0.00 0.00 63.50 60.59 1i4k n PRO 3 Cb 0.00 -1.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.84 1i4k n PRO 3 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1i4k s ARG 4 N -3.34 3.01 0.15 -0.52 0.52 -1.26 -5.02 118.95 112.48 1i4k s ARG 4 Ca 0.42 -0.67 -0.12 0.00 -0.52 0.00 0.00 55.73 54.83 1i4k s ARG 4 Cb -0.06 -2.54 0.01 0.00 0.52 0.00 0.00 34.95 32.88 1i4k s ARG 4 CO 0.45 0.40 1.58 -1.35 0.02 0.00 0.00 175.30 176.41 1i4k h PRO 5 N 6.08 0.88 -0.84 3.54 0.11 -2.00 -2.88 132.00 136.90 1i4k h PRO 5 Ca -0.35 -0.31 0.01 0.00 0.11 0.00 0.00 66.00 65.46 1i4k h PRO 5 Cb 1.19 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 1i4k h PRO 5 CO 0.54 0.94 0.56 -0.07 -0.21 0.00 0.00 178.00 179.76 1i4k h LEU 6 N 0.73 0.96 -1.25 2.35 -0.00 -2.00 -0.04 115.31 116.07 1i4k h LEU 6 Ca 0.13 -0.02 -0.05 0.00 -0.00 0.00 0.00 57.88 57.93 1i4k h LEU 6 Cb 0.58 -0.24 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1i4k h LEU 6 CO 0.03 0.69 -0.25 0.44 -0.00 0.00 0.00 178.44 179.35 1i4k h ASP 7 N 1.13 0.00 0.64 -0.43 3.32 -1.97 -2.40 116.42 116.71 1i4k h ASP 7 Ca 0.31 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 1i4k h ASP 7 Cb -0.11 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1i4k h ASP 7 CO -0.07 0.25 -0.34 0.58 -1.72 0.00 0.00 179.24 177.95 1i4k h VAL 8 N 0.00 0.93 -0.04 -1.35 2.07 -0.79 -2.84 116.25 114.24 1i4k h VAL 8 Ca -0.00 -1.31 -0.18 0.00 0.82 0.00 0.00 66.70 66.02 1i4k h VAL 8 Cb 0.69 1.78 0.01 0.00 -1.52 0.00 0.00 31.29 32.25 1i4k h VAL 8 CO 0.03 0.33 -0.69 -0.07 0.02 0.00 0.00 177.57 177.19 1i4k h LEU 9 N 0.00 0.69 0.00 2.57 3.38 -1.17 -3.12 115.31 117.66 1i4k h LEU 9 Ca -0.00 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.26 1i4k h LEU 9 Cb 0.75 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1i4k h LEU 9 CO 0.04 1.30 0.03 -3.20 0.09 0.00 0.00 178.44 176.71 1i4k n ASN 10 N -4.11 0.00 -1.49 -0.43 2.85 -1.07 0.10 115.26 111.11 1i4k n ASN 10 Ca -0.10 0.26 0.10 0.00 -0.11 0.00 0.00 54.58 54.74 1i4k n ASN 10 Cb 0.71 -0.26 0.34 0.00 1.24 0.00 0.00 39.78 41.81 1i4k n ASN 10 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 1i4k n ARG 11 N -1.24 3.32 -0.06 1.20 0.63 -1.18 -4.14 116.66 115.19 1i4k n ARG 11 Ca 0.00 -2.80 0.01 0.00 -0.92 0.00 0.00 57.85 54.14 1i4k n ARG 11 Cb 0.03 -1.76 0.02 0.00 0.45 0.00 0.00 32.46 31.20 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 1.35 1.07 -4.76 6.15 7.64 0.11 -5.02 113.62 120.16 1i4k n SER 12 Ca 0.25 -1.75 -0.41 0.00 1.01 0.00 0.00 58.87 57.97 1i4k n SER 12 Cb 0.78 -0.07 -0.01 0.00 -1.01 0.00 0.00 64.21 63.89 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 -0.73 4.34 -0.26 -3.43 1.43 -1.25 -1.21 118.68 117.56 1i4k s LEU 13 Ca 0.04 2.99 0.00 0.00 -1.03 0.00 0.00 54.13 56.12 1i4k s LEU 13 Cb 0.03 -3.64 0.00 0.00 0.03 0.00 0.00 46.19 42.61 1i4k s LEU 13 CO 0.00 -0.92 0.00 0.29 0.23 0.00 0.00 176.35 175.96 1i4k n LYS 14 N 1.81 -1.12 -4.23 1.70 5.02 0.18 -4.94 118.16 116.56 1i4k n LYS 14 Ca 0.07 0.42 -0.29 0.00 -2.02 0.00 0.00 58.31 56.49 1i4k n LYS 14 Cb 0.38 -4.34 -0.10 0.00 -0.02 0.00 0.00 35.03 30.95 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 -2.17 4.38 0.17 4.39 0.01 -0.35 -4.80 113.70 115.33 1i4k s SER 15 Ca 0.00 -0.41 -0.32 0.00 1.31 0.00 0.00 55.95 56.53 1i4k s SER 15 Cb 0.00 -0.82 -0.10 0.00 0.21 0.00 0.00 66.02 65.30 1i4k s SER 15 CO 0.00 0.17 1.61 -2.84 0.41 0.00 0.00 173.24 172.58 1i4k s PRO 16 N -2.30 4.19 0.05 12.44 0.02 -1.26 -0.71 135.00 147.43 1i4k s PRO 16 Ca 0.22 2.41 -0.01 0.00 0.02 0.00 0.00 61.00 63.65 1i4k s PRO 16 Cb -0.11 -3.16 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1i4k s PRO 16 CO 0.14 -0.64 -0.04 0.14 -0.33 0.00 0.00 177.00 176.27 1i4k s VAL 17 N 1.24 0.27 -0.30 3.83 -7.23 -0.01 -1.54 120.40 116.66 1i4k s VAL 17 Ca 0.71 -1.75 -0.08 0.00 -1.81 0.00 0.00 61.98 59.06 1i4k s VAL 17 Cb -0.45 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.06 1i4k s VAL 17 CO 0.31 -0.94 0.11 -0.63 -0.31 0.00 0.00 175.10 173.64 1i4k s ILE 18 N -3.67 4.18 -0.30 -0.62 1.01 0.17 -2.35 121.20 119.61 1i4k s ILE 18 Ca 0.06 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.02 1i4k s ILE 18 Cb 0.06 -3.16 0.03 0.00 0.01 0.00 0.00 42.46 39.40 1i4k s ILE 18 CO -0.09 0.05 0.05 -0.69 0.00 0.00 0.00 174.94 174.27 1i4k s VAL 19 N 1.53 3.60 -0.00 2.92 1.01 0.41 -1.99 120.40 127.88 1i4k s VAL 19 Ca 0.03 -0.97 -0.17 0.00 0.00 0.00 0.00 61.98 60.87 1i4k s VAL 19 Cb -0.17 -2.93 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 1i4k s VAL 19 CO 0.04 0.00 0.48 -0.60 0.00 0.00 0.00 175.10 175.02 1i4k s ARG 20 N 1.41 4.10 0.35 2.72 6.06 -0.60 -0.35 118.95 132.63 1i4k s ARG 20 Ca -0.00 0.53 0.06 0.00 -2.50 0.00 0.00 55.73 53.82 1i4k s ARG 20 Cb -0.18 -3.27 -0.07 0.00 0.06 0.00 0.00 34.95 31.49 1i4k s ARG 20 CO 0.01 0.56 0.00 -0.51 -2.50 0.00 0.00 175.30 172.86 1i4k s LEU 21 N -0.71 2.55 0.67 -0.88 1.43 -0.76 -1.03 118.68 119.95 1i4k s LEU 21 Ca 0.26 -1.32 -0.13 0.00 -1.03 0.00 0.00 54.13 51.91 1i4k s LEU 21 Cb -0.17 -0.68 0.00 0.00 0.03 0.00 0.00 46.19 45.37 1i4k s LEU 21 CO 0.15 -0.46 1.08 -0.54 0.23 0.00 0.00 176.35 176.81 1i4k s LYS 22 N -3.77 2.89 0.00 1.70 1.02 -0.58 -3.88 119.74 117.12 1i4k s LYS 22 Ca 0.34 1.19 0.00 0.00 0.02 0.00 0.00 55.97 57.52 1i4k s LYS 22 Cb 0.08 -1.98 0.00 0.00 -0.52 0.00 0.00 37.83 35.41 1i4k s LYS 22 CO 0.16 -1.15 0.00 0.41 -0.92 0.00 0.00 175.35 173.85 1i4k n GLY 23 N -1.14 0.55 2.15 -3.33 0.00 -1.26 -3.79 105.19 98.38 1i4k n GLY 23 Ca 0.09 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.82 0.44 3.89 -0.02 0.00 -1.25 -4.90 105.19 100.52 1i4k n GLY 24 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.47 3.70 0.06 1.61 3.52 -1.25 -3.17 118.95 122.95 1i4k s ARG 25 Ca 0.00 0.25 -0.22 0.00 -0.13 0.00 0.00 55.73 55.64 1i4k s ARG 25 Cb 0.00 -2.50 0.05 0.00 -1.56 0.00 0.00 34.95 30.94 1i4k s ARG 25 CO 0.00 0.06 0.51 -2.00 -0.81 0.00 0.00 175.30 173.06 1i4k s GLU 26 N -3.78 1.05 0.03 5.12 2.12 -0.27 -1.82 118.70 121.14 1i4k s GLU 26 Ca 0.48 -0.28 0.04 0.00 0.36 0.00 0.00 54.97 55.57 1i4k s GLU 26 Cb -0.10 0.48 -0.02 0.00 0.26 0.00 0.00 34.13 34.74 1i4k s GLU 26 CO 0.31 -0.38 -0.12 -0.06 -0.54 0.00 0.00 175.26 174.47 1i4k s PHE 27 N -2.60 1.03 -0.05 5.30 0.40 0.52 -0.15 117.98 122.43 1i4k s PHE 27 Ca -0.04 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.01 1i4k s PHE 27 Cb -0.01 -0.62 -0.00 0.00 0.51 0.00 0.00 43.02 42.90 1i4k s PHE 27 CO -0.03 0.01 -0.19 1.03 0.70 0.00 0.00 175.22 176.74 1i4k s ARG 28 N -0.98 2.06 0.00 0.44 1.81 -0.68 -0.44 118.95 121.16 1i4k s ARG 28 Ca 0.00 -0.68 0.00 0.00 -1.72 0.00 0.00 55.73 53.33 1i4k s ARG 28 Cb -0.07 -1.74 0.00 0.00 -0.45 0.00 0.00 34.95 32.69 1i4k s ARG 28 CO 0.01 0.25 0.00 0.41 -0.68 0.00 0.00 175.30 175.29 1i4k n GLY 29 N 3.20 2.99 3.74 -3.53 0.00 -0.99 -0.03 105.19 110.57 1i4k n GLY 29 Ca -0.18 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.00 3.46 0.23 2.61 -4.23 -1.15 -0.83 115.64 113.72 1i4k s THR 30 Ca 0.00 1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 61.47 1i4k s THR 30 Cb 0.00 -3.80 -0.09 0.00 1.34 0.00 0.00 72.50 69.95 1i4k s THR 30 CO 0.00 0.21 1.10 -0.22 -0.54 0.00 0.00 174.62 175.17 1i4k s LEU 31 N -0.41 4.53 0.00 4.79 2.96 0.11 -1.75 118.68 128.92 1i4k s LEU 31 Ca 0.52 2.18 0.00 0.00 -0.22 0.00 0.00 54.13 56.61 1i4k s LEU 31 Cb -0.34 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.74 1i4k s LEU 31 CO 0.38 -0.17 0.36 -0.67 -1.32 0.00 0.00 176.35 174.93 1i4k n ASP 32 N 1.78 0.72 0.00 3.68 2.03 -0.09 0.48 116.55 125.14 1i4k n ASP 32 Ca 0.01 -0.92 0.00 0.00 0.52 0.00 0.00 54.79 54.40 1i4k n ASP 32 Cb 0.45 0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.11 3.18 3.72 0.27 0.00 -1.22 -4.92 105.19 106.33 1i4k n GLY 33 Ca 0.00 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 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 0.27 0.00 1.61 -0.85 -1.26 -1.08 117.35 114.03 1i4k s TYR 34 Ca 0.00 -0.74 0.00 0.00 -0.52 0.00 0.00 57.07 55.81 1i4k s TYR 34 Cb 0.00 0.51 0.00 0.00 0.38 0.00 0.00 41.96 42.85 1i4k s TYR 34 CO 0.00 -1.29 0.00 -0.40 -1.52 0.00 0.00 175.55 172.34 1i4k n ASP 35 N -0.96 0.39 0.10 -0.18 5.75 -1.01 -4.99 116.55 115.64 1i4k n ASP 35 Ca -0.04 0.00 -0.17 0.00 -0.01 0.00 0.00 54.79 54.57 1i4k n ASP 35 Cb 0.60 0.00 -0.12 0.00 -1.03 0.00 0.00 41.12 40.58 1i4k n ASP 35 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 1i4k h ILE 36 N 0.00 1.42 0.00 2.12 2.04 -2.03 -3.23 117.51 117.82 1i4k h ILE 36 Ca 0.00 -2.77 0.00 0.00 1.00 0.00 0.00 64.86 63.09 1i4k h ILE 36 Cb 0.00 2.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.87 1i4k h ILE 36 CO 0.00 0.82 0.00 1.41 0.00 0.00 0.00 178.15 180.38 1i4k n HIS 37 N -3.65 0.00 -0.95 1.37 8.25 -1.26 -4.76 115.22 114.22 1i4k n HIS 37 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 1i4k n HIS 37 Cb 0.98 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.09 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 -0.67 -0.14 -1.78 -0.41 1.56 -1.22 -3.91 117.12 110.55 1i4k n MET 38 Ca 0.04 0.04 -0.41 0.00 -0.27 0.00 0.00 57.70 57.09 1i4k n MET 38 Cb 0.02 -3.05 -0.01 0.00 2.15 0.00 0.00 33.22 32.32 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 -2.48 6.36 0.45 6.12 0.01 -1.26 -4.14 114.94 120.00 1i4k s ASN 39 Ca 0.00 2.98 0.07 0.00 -0.71 0.00 0.00 52.86 55.19 1i4k s ASN 39 Cb 0.00 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 39.00 1i4k s ASN 39 CO 0.00 -0.91 0.28 -0.76 -1.51 0.00 0.00 177.10 174.20 1i4k s LEU 40 N -0.79 3.06 -0.09 0.60 1.43 -0.69 -2.42 118.68 119.78 1i4k s LEU 40 Ca 0.61 -1.05 -0.04 0.00 -1.03 0.00 0.00 54.13 52.62 1i4k s LEU 40 Cb -0.48 -1.52 0.05 0.00 0.03 0.00 0.00 46.19 44.27 1i4k s LEU 40 CO 0.51 -0.72 0.21 -0.69 0.23 0.00 0.00 176.35 175.89 1i4k s VAL 41 N -2.62 -0.09 0.14 -1.59 1.01 -0.24 -2.21 120.40 114.79 1i4k s VAL 41 Ca 0.40 0.18 0.06 0.00 0.00 0.00 0.00 61.98 62.62 1i4k s VAL 41 Cb 0.00 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1i4k s VAL 41 CO 0.23 0.08 -0.14 -0.76 0.00 0.00 0.00 175.10 174.50 1i4k s LEU 42 N 1.41 2.44 0.21 3.92 1.43 -0.62 -0.91 118.68 126.55 1i4k s LEU 42 Ca -0.08 -0.86 0.11 0.00 -1.03 0.00 0.00 54.13 52.27 1i4k s LEU 42 Cb -0.11 -0.57 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 1i4k s LEU 42 CO -0.08 -0.16 -0.21 -0.76 0.23 0.00 0.00 176.35 175.38 1i4k s LEU 43 N -2.65 2.49 -1.46 1.79 1.43 -0.71 -2.01 118.68 117.55 1i4k s LEU 43 Ca 0.12 -0.92 -0.19 0.00 -1.03 0.00 0.00 54.13 52.11 1i4k s LEU 43 Cb -0.04 -1.04 0.19 0.00 0.03 0.00 0.00 46.19 45.33 1i4k s LEU 43 CO 0.03 0.05 0.46 0.47 0.23 0.00 0.00 176.35 177.59 1i4k n ASP 44 N -0.01 -1.61 -4.82 2.29 8.00 -0.56 -2.94 116.55 116.89 1i4k n ASP 44 Ca -0.10 -0.87 -0.36 0.00 0.71 0.00 0.00 54.79 54.17 1i4k n ASP 44 Cb 0.58 -1.43 -0.06 0.00 -0.02 0.00 0.00 41.12 40.18 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i4k s ALA 45 N -2.93 3.49 -0.09 2.24 0.00 -0.78 -4.63 121.76 119.06 1i4k s ALA 45 Ca 0.65 0.07 0.03 0.00 0.00 0.00 0.00 51.96 52.71 1i4k s ALA 45 Cb -0.38 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.02 1i4k s ALA 45 CO 0.80 0.37 -0.20 -1.83 0.00 0.00 0.00 175.76 174.90 1i4k s GLU 46 N -1.82 2.99 0.03 0.00 -1.05 0.95 -0.97 118.70 118.84 1i4k s GLU 46 Ca 0.39 -0.81 -0.22 0.00 -0.15 0.00 0.00 54.97 54.18 1i4k s GLU 46 Cb -0.17 -2.38 -0.06 0.00 -0.44 0.00 0.00 34.13 31.08 1i4k s GLU 46 CO 0.20 0.28 0.66 -2.00 0.95 0.00 0.00 175.26 175.35 1i4k s GLU 47 N 0.12 4.38 0.03 -4.83 2.12 -0.11 -1.69 118.70 118.72 1i4k s GLU 47 Ca -0.10 0.87 0.06 0.00 0.36 0.00 0.00 54.97 56.16 1i4k s GLU 47 Cb -0.16 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1i4k s GLU 47 CO 0.06 0.39 -0.19 0.42 -0.54 0.00 0.00 175.26 175.40 1i4k s ILE 48 N -0.33 1.51 -0.07 -3.70 1.09 0.79 -0.93 121.20 119.56 1i4k s ILE 48 Ca 0.33 -1.07 -0.03 0.00 -1.10 0.00 0.00 60.65 58.78 1i4k s ILE 48 Cb -0.19 -1.31 0.04 0.00 -1.06 0.00 0.00 42.46 39.94 1i4k s ILE 48 CO 0.20 0.21 0.15 -1.58 -0.10 0.00 0.00 174.94 173.82 1i4k s GLN 49 N -1.01 0.07 -1.79 2.79 2.00 -0.44 -1.12 119.66 120.16 1i4k s GLN 49 Ca 0.06 0.45 -0.19 0.00 -2.00 0.00 0.00 55.36 53.68 1i4k s GLN 49 Cb -0.08 -0.22 0.19 0.00 0.80 0.00 0.00 33.01 33.70 1i4k s GLN 49 CO 0.01 -0.23 0.58 -1.71 -0.50 0.00 0.00 175.29 173.44 1i4k n ASN 50 N 4.68 -1.85 -0.33 6.67 2.85 -1.19 -1.67 115.26 124.41 1i4k n ASN 50 Ca -0.17 -1.19 0.00 0.00 -0.11 0.00 0.00 54.58 53.11 1i4k n ASN 50 Cb 0.51 -1.93 0.00 0.00 1.24 0.00 0.00 39.78 39.60 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1i4k n GLY 51 N -1.33 0.77 3.64 8.20 0.00 -1.26 -5.07 105.19 110.13 1i4k n GLY 51 Ca 0.05 -0.74 -0.08 0.00 0.00 0.00 0.00 46.02 45.24 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 -4.64 0.72 -0.06 1.61 2.12 -0.67 -5.14 118.70 112.64 1i4k s GLU 52 Ca 0.00 1.16 -0.30 0.00 0.36 0.00 0.00 54.97 56.19 1i4k s GLU 52 Cb 0.00 0.19 -0.04 0.00 0.26 0.00 0.00 34.13 34.54 1i4k s GLU 52 CO 0.00 -0.14 1.36 0.08 -0.54 0.00 0.00 175.26 176.03 1i4k s VAL 53 N 1.38 3.95 -0.08 3.70 1.01 -1.26 -1.33 120.40 127.78 1i4k s VAL 53 Ca -0.08 1.25 -0.04 0.00 0.00 0.00 0.00 61.98 63.11 1i4k s VAL 53 Cb -0.05 -3.81 -0.27 0.00 0.00 0.00 0.00 36.38 32.26 1i4k s VAL 53 CO -0.16 -0.05 0.53 0.58 0.00 0.00 0.00 175.10 176.00 1i4k h VAL 54 N 5.19 0.78 -1.51 2.92 2.07 -1.40 -3.49 116.25 120.81 1i4k h VAL 54 Ca -0.34 -2.48 0.25 0.00 0.82 0.00 0.00 66.70 64.95 1i4k h VAL 54 Cb 1.15 2.58 -0.18 0.00 -1.52 0.00 0.00 31.29 33.32 1i4k h VAL 54 CO 0.92 0.83 0.80 -0.60 0.02 0.00 0.00 177.57 179.54 1i4k s ARG 55 N -2.58 0.34 -0.62 1.57 3.52 -1.23 -5.00 118.95 114.95 1i4k s ARG 55 Ca -0.17 -0.13 0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1i4k s ARG 55 Cb 0.07 0.15 0.15 0.00 -1.56 0.00 0.00 34.95 33.76 1i4k s ARG 55 CO 0.80 -0.15 0.38 0.15 -0.81 0.00 0.00 175.30 175.68 1i4k s LYS 56 N -2.45 2.24 0.39 5.12 1.02 -1.26 -0.94 119.74 123.86 1i4k s LYS 56 Ca 0.10 -3.00 -0.24 0.00 0.02 0.00 0.00 55.97 52.84 1i4k s LYS 56 Cb -0.01 -3.38 -0.09 0.00 -0.52 0.00 0.00 37.83 33.83 1i4k s LYS 56 CO -0.05 -1.20 1.03 0.14 -0.92 0.00 0.00 175.35 174.36 1i4k s VAL 57 N -0.89 3.80 0.29 3.17 -7.23 -0.14 -4.90 120.40 114.49 1i4k s VAL 57 Ca 0.21 1.40 0.06 0.00 -1.81 0.00 0.00 61.98 61.83 1i4k s VAL 57 Cb -0.15 -3.73 0.04 0.00 0.56 0.00 0.00 36.38 33.10 1i4k s VAL 57 CO -0.08 0.03 1.70 1.23 -0.31 0.00 0.00 175.10 177.66 1i4k h GLY 58 N 2.62 0.30 -3.09 2.32 0.00 -1.93 -2.07 103.07 101.21 1i4k h GLY 58 Ca -0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 46.54 1i4k h GLY 58 CO 0.63 0.25 0.16 -1.35 0.00 0.00 0.00 176.54 176.23 1i4k s SER 59 N -6.87 -0.53 -0.17 0.19 1.04 -1.26 -1.50 113.70 104.60 1i4k s SER 59 Ca -0.05 0.01 -0.24 0.00 0.48 0.00 0.00 55.95 56.14 1i4k s SER 59 Cb 0.13 0.58 0.06 0.00 0.10 0.00 0.00 66.02 66.89 1i4k s SER 59 CO 0.78 -0.92 0.63 0.54 0.98 0.00 0.00 173.24 175.24 1i4k s VAL 60 N -3.56 0.00 -0.37 5.02 0.11 -0.85 -4.97 120.40 115.78 1i4k s VAL 60 Ca 0.00 -0.03 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 1i4k s VAL 60 Cb -0.01 -0.91 0.07 0.00 -1.53 0.00 0.00 36.38 34.01 1i4k s VAL 60 CO -0.11 -0.02 0.15 -0.69 -3.33 0.00 0.00 175.10 171.10 1i4k s VAL 61 N -0.22 3.59 -0.01 2.04 1.01 -1.26 -1.59 120.40 123.97 1i4k s VAL 61 Ca -0.04 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.31 1i4k s VAL 61 Cb -0.03 -3.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.09 1i4k s VAL 61 CO 0.04 -0.40 0.32 -0.63 0.00 0.00 0.00 175.10 174.43 1i4k s ILE 62 N 1.30 5.20 -0.23 2.22 1.01 -0.94 -4.95 121.20 124.81 1i4k s ILE 62 Ca 0.02 0.50 -0.28 0.00 0.00 0.00 0.00 60.65 60.89 1i4k s ILE 62 Cb -0.21 -3.60 0.00 0.00 0.01 0.00 0.00 42.46 38.66 1i4k s ILE 62 CO -0.00 0.49 0.97 -0.13 0.00 0.00 0.00 174.94 176.27 1i4k s ARG 63 N -1.36 4.24 0.31 2.79 1.81 -1.26 -1.70 118.95 123.78 1i4k s ARG 63 Ca 0.24 1.22 0.07 0.00 -1.72 0.00 0.00 55.73 55.55 1i4k s ARG 63 Cb -0.14 -3.64 0.87 0.00 -0.45 0.00 0.00 34.95 31.58 1i4k s ARG 63 CO 0.13 -0.58 1.64 0.78 -0.68 0.00 0.00 175.30 176.59 1i4k h GLY 64 N 9.30 1.62 1.38 -3.53 0.00 -1.72 0.26 103.07 110.38 1i4k h GLY 64 Ca -0.21 -0.08 0.06 0.00 0.00 0.00 0.00 47.33 47.10 1i4k h GLY 64 CO 0.94 -0.45 0.25 -1.80 0.00 0.00 0.00 176.54 175.49 1i4k h ASP 65 N 0.21 0.00 0.91 0.19 1.82 -1.91 -1.18 116.42 116.47 1i4k h ASP 65 Ca 0.63 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.27 1i4k h ASP 65 Cb 1.36 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.37 1i4k h ASP 65 CO -0.67 0.00 -0.64 0.74 -1.61 0.00 0.00 179.24 177.06 1i4k h THR 66 N 0.00 0.00 -3.92 2.25 2.02 -0.88 -3.48 112.91 108.90 1i4k h THR 66 Ca 0.10 -0.55 -0.50 0.00 0.77 0.00 0.00 66.41 66.22 1i4k h THR 66 Cb 0.60 1.14 0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1i4k h THR 66 CO -0.00 0.00 0.47 -0.69 0.37 0.00 0.00 175.52 175.67 1i4k s VAL 67 N -3.19 3.37 -0.13 3.16 1.01 -0.45 -1.53 120.40 122.65 1i4k s VAL 67 Ca 0.06 1.17 -0.08 0.00 0.00 0.00 0.00 61.98 63.13 1i4k s VAL 67 Cb 0.13 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.79 1i4k s VAL 67 CO 0.72 0.12 -0.19 0.52 0.00 0.00 0.00 175.10 176.28 1i4k n VAL 68 N 0.28 0.93 -3.60 2.92 0.31 -0.20 -4.83 118.33 114.13 1i4k n VAL 68 Ca 0.03 -0.11 -0.10 0.00 -0.01 0.00 0.00 64.34 64.15 1i4k n VAL 68 Cb 0.47 -1.76 -0.02 0.00 -0.91 0.00 0.00 33.84 31.62 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 -2.31 -0.38 -0.03 3.52 -0.12 -1.18 -5.02 117.98 112.46 1i4k s PHE 69 Ca -0.20 0.07 0.00 0.00 -0.05 0.00 0.00 56.93 56.76 1i4k s PHE 69 Cb 0.07 0.59 0.03 0.00 -0.63 0.00 0.00 43.02 43.07 1i4k s PHE 69 CO 0.25 -0.99 0.00 0.08 -0.05 0.00 0.00 175.22 174.52 1i4k s VAL 70 N -3.82 0.15 0.02 -2.49 1.01 -1.26 -1.56 120.40 112.46 1i4k s VAL 70 Ca 0.05 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.96 1i4k s VAL 70 Cb -0.03 -0.24 0.03 0.00 0.00 0.00 0.00 36.38 36.14 1i4k s VAL 70 CO -0.05 0.13 0.35 -0.94 0.00 0.00 0.00 175.10 174.59 1i4k s SER 71 N 0.95 -0.21 0.71 3.32 1.04 -0.84 -4.98 113.70 113.68 1i4k s SER 71 Ca -0.09 -0.03 -0.16 0.00 0.48 0.00 0.00 55.95 56.15 1i4k s SER 71 Cb -0.13 0.37 0.02 0.00 0.10 0.00 0.00 66.02 66.39 1i4k s SER 71 CO -0.02 -0.59 1.27 -2.84 0.98 0.00 0.00 173.24 172.04 1i4k s PRO 72 N -2.16 2.20 0.00 4.02 0.02 -1.26 0.42 135.00 138.25 1i4k s PRO 72 Ca -0.08 1.96 0.07 0.00 0.02 0.00 0.00 61.00 62.98 1i4k s PRO 72 Cb -0.02 -1.82 0.06 0.00 0.02 0.00 0.00 34.50 32.74 1i4k s PRO 72 CO -0.01 -1.84 0.73 0.00 -0.33 0.00 0.00 177.00 175.55