#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 0.71 -2.67 0.52 -0.02 -1.26 -4.95 135.00 127.33 1i4k n PRO 3 Ca 0.00 0.26 -0.36 0.00 -2.02 0.00 0.00 63.50 61.38 1i4k n PRO 3 Cb 0.00 -1.87 -0.05 0.00 -0.02 0.00 0.00 33.50 31.56 1i4k n PRO 3 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1i4k s ARG 4 N 3.05 4.30 0.26 -0.52 1.70 -1.26 -4.93 118.95 121.55 1i4k s ARG 4 Ca 1.00 1.38 -0.07 0.00 -0.47 0.00 0.00 55.73 57.57 1i4k s ARG 4 Cb -1.22 -2.55 0.46 0.00 -0.57 0.00 0.00 34.95 31.07 1i4k s ARG 4 CO 0.70 0.01 1.61 -1.35 -1.08 0.00 0.00 175.30 175.19 1i4k h PRO 5 N 2.59 0.05 -0.03 3.89 0.11 -2.00 0.26 132.00 136.87 1i4k h PRO 5 Ca -0.48 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1i4k h PRO 5 Cb 1.20 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 1i4k h PRO 5 CO 0.63 0.03 -0.08 -0.07 -0.21 0.00 0.00 178.00 178.30 1i4k h LEU 6 N 0.05 0.03 -0.26 2.35 -0.00 -2.00 -2.08 115.31 113.40 1i4k h LEU 6 Ca 0.44 -0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.29 1i4k h LEU 6 Cb 0.77 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 1i4k h LEU 6 CO -0.77 0.12 0.07 0.44 -0.00 0.00 0.00 178.44 178.30 1i4k h ASP 7 N 0.04 0.39 0.12 -0.43 3.32 -1.32 -1.29 116.42 117.25 1i4k h ASP 7 Ca 0.01 -0.22 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 1i4k h ASP 7 Cb 0.16 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 1i4k h ASP 7 CO 0.01 0.51 -0.07 0.58 -1.72 0.00 0.00 179.24 178.55 1i4k h VAL 8 N 0.26 0.75 0.37 -1.35 2.07 -1.15 0.26 116.25 117.47 1i4k h VAL 8 Ca 0.08 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.33 1i4k h VAL 8 Cb 0.26 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 1i4k h VAL 8 CO -0.00 0.07 -0.18 -0.07 0.02 0.00 0.00 177.57 177.41 1i4k h LEU 9 N 0.00 -0.42 -0.47 2.57 3.38 -0.84 -3.31 115.31 116.22 1i4k h LEU 9 Ca -0.00 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.95 1i4k h LEU 9 Cb 0.15 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 40.91 1i4k h LEU 9 CO 0.01 0.02 -0.33 -1.13 0.09 0.00 0.00 178.44 177.11 1i4k h ASN 10 N -1.02 -1.10 0.00 -0.43 -0.73 -0.66 -0.61 115.58 111.04 1i4k h ASN 10 Ca -0.05 0.20 0.00 0.00 1.87 0.00 0.00 56.30 58.32 1i4k h ASN 10 Cb 0.51 0.53 0.00 0.00 0.27 0.00 0.00 38.32 39.62 1i4k h ASN 10 CO 0.08 -0.31 0.00 0.54 -0.37 0.00 0.00 177.43 177.37 1i4k n ARG 11 N -5.42 0.00 -0.09 6.67 1.74 0.03 -0.94 116.66 118.64 1i4k n ARG 11 Ca 0.02 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.11 1i4k n ARG 11 Cb 0.34 -0.99 0.01 0.00 -1.02 0.00 0.00 32.46 30.80 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 -0.10 0.57 -4.75 0.55 7.64 -0.24 -5.04 113.62 112.25 1i4k n SER 12 Ca 0.00 -1.52 -0.41 0.00 1.01 0.00 0.00 58.87 57.95 1i4k n SER 12 Cb 0.00 -0.06 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 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 -0.40 4.41 -0.91 -3.43 1.43 -0.12 -2.69 118.68 116.97 1i4k s LEU 13 Ca 0.02 2.56 -0.00 0.00 -1.03 0.00 0.00 54.13 55.68 1i4k s LEU 13 Cb 0.02 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1i4k s LEU 13 CO 0.00 -0.60 0.04 0.29 0.23 0.00 0.00 176.35 176.31 1i4k n LYS 14 N 2.24 -1.10 -4.26 1.70 5.02 0.11 -4.98 118.16 116.89 1i4k n LYS 14 Ca 0.06 0.52 -0.15 0.00 -2.02 0.00 0.00 58.31 56.72 1i4k n LYS 14 Cb 0.41 -4.60 -0.10 0.00 -0.02 0.00 0.00 35.03 30.72 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 -2.56 1.80 0.08 4.39 0.01 -1.09 -4.91 113.70 111.42 1i4k s SER 15 Ca 0.02 -1.04 -0.30 0.00 1.31 0.00 0.00 55.95 55.94 1i4k s SER 15 Cb -0.01 -0.01 -0.05 0.00 0.21 0.00 0.00 66.02 66.16 1i4k s SER 15 CO 0.03 -0.35 0.99 -2.16 0.41 0.00 0.00 173.24 172.15 1i4k s PRO 16 N -3.76 4.64 0.14 12.44 0.04 -1.26 -1.30 135.00 145.94 1i4k s PRO 16 Ca 0.18 1.48 -0.00 0.00 0.04 0.00 0.00 61.00 62.70 1i4k s PRO 16 Cb 0.03 -3.39 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1i4k s PRO 16 CO 0.02 0.11 0.04 0.14 0.04 0.00 0.00 177.00 177.34 1i4k s VAL 17 N 0.32 0.25 -0.17 -0.36 -7.23 -0.47 -0.77 120.40 111.97 1i4k s VAL 17 Ca 0.49 -1.93 -0.02 0.00 -1.81 0.00 0.00 61.98 58.71 1i4k s VAL 17 Cb -0.23 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.64 1i4k s VAL 17 CO 0.30 -0.48 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.90 1i4k s ILE 18 N -3.95 3.31 -0.36 -0.62 1.01 0.15 -2.99 121.20 117.76 1i4k s ILE 18 Ca 0.24 -0.55 0.04 0.00 0.00 0.00 0.00 60.65 60.38 1i4k s ILE 18 Cb 0.07 -2.44 0.10 0.00 0.01 0.00 0.00 42.46 40.20 1i4k s ILE 18 CO 0.02 0.48 0.08 -0.69 0.00 0.00 0.00 174.94 174.84 1i4k s VAL 19 N 0.76 2.19 -0.03 2.92 1.01 0.16 -0.92 120.40 126.50 1i4k s VAL 19 Ca -0.03 -2.39 -0.29 0.00 0.00 0.00 0.00 61.98 59.26 1i4k s VAL 19 Cb -0.15 -2.61 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1i4k s VAL 19 CO 0.02 -0.63 0.95 -0.60 0.00 0.00 0.00 175.10 174.83 1i4k s ARG 20 N 0.81 4.51 0.29 2.72 3.52 -0.80 -1.26 118.95 128.75 1i4k s ARG 20 Ca 0.12 1.35 0.07 0.00 -0.13 0.00 0.00 55.73 57.13 1i4k s ARG 20 Cb -0.20 -3.48 -0.03 0.00 -1.56 0.00 0.00 34.95 29.69 1i4k s ARG 20 CO -0.08 -0.10 0.29 -0.51 -0.81 0.00 0.00 175.30 174.09 1i4k s LEU 21 N 1.21 3.81 0.56 -0.88 1.43 0.14 -1.05 118.68 123.90 1i4k s LEU 21 Ca 0.49 -0.30 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 1i4k s LEU 21 Cb -0.20 -2.41 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 1i4k s LEU 21 CO 0.25 -0.21 1.35 -0.54 0.23 0.00 0.00 176.35 177.42 1i4k s LYS 22 N -3.96 3.07 0.00 1.70 1.02 0.13 -1.88 119.74 119.82 1i4k s LYS 22 Ca 0.38 2.21 0.00 0.00 0.02 0.00 0.00 55.97 58.57 1i4k s LYS 22 Cb -0.07 -2.20 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 1i4k s LYS 22 CO 0.27 -1.24 0.00 0.41 -0.92 0.00 0.00 175.35 173.87 1i4k n GLY 23 N 0.74 2.84 0.00 -3.33 0.00 -1.26 -4.33 105.19 99.84 1i4k n GLY 23 Ca 0.11 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 1.33 3.74 -0.02 0.00 -0.79 -5.12 105.19 104.33 1i4k n GLY 24 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 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 1.73 -4.30 1.61 1.74 -1.25 -4.65 116.66 111.54 1i4k n ARG 25 Ca 0.00 0.63 -0.19 0.00 -0.77 0.00 0.00 57.85 57.52 1i4k n ARG 25 Cb 0.00 -2.55 -0.11 0.00 -1.02 0.00 0.00 32.46 28.78 1i4k n ARG 25 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1i4k s GLU 26 N -2.78 1.20 -0.09 5.56 2.02 -0.55 0.25 118.70 124.31 1i4k s GLU 26 Ca 0.70 -1.41 0.02 0.00 0.02 0.00 0.00 54.97 54.30 1i4k s GLU 26 Cb -0.43 -1.10 0.01 0.00 0.10 0.00 0.00 34.13 32.72 1i4k s GLU 26 CO 0.51 0.20 -0.15 -0.06 0.02 0.00 0.00 175.26 175.78 1i4k s PHE 27 N -2.42 1.78 -0.21 1.61 0.40 -0.39 -0.84 117.98 117.92 1i4k s PHE 27 Ca 0.16 -0.74 0.02 0.00 -0.60 0.00 0.00 56.93 55.76 1i4k s PHE 27 Cb -0.04 -1.28 0.03 0.00 0.51 0.00 0.00 43.02 42.25 1i4k s PHE 27 CO 0.05 -0.37 -0.17 -0.98 0.70 0.00 0.00 175.22 174.45 1i4k s ARG 28 N 0.76 2.74 0.03 0.44 1.70 -0.98 -0.66 118.95 122.98 1i4k s ARG 28 Ca -0.12 -1.00 -0.04 0.00 -0.47 0.00 0.00 55.73 54.11 1i4k s ARG 28 Cb -0.16 -2.67 0.01 0.00 -0.57 0.00 0.00 34.95 31.56 1i4k s ARG 28 CO 0.02 -0.33 0.17 0.41 -1.08 0.00 0.00 175.30 174.50 1i4k n GLY 29 N 4.56 1.17 3.65 3.88 0.00 -1.16 -0.87 105.19 116.41 1i4k n GLY 29 Ca -0.19 -0.95 -0.38 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.48 5.18 -0.55 2.61 2.01 0.92 -1.36 115.64 121.97 1i4k s THR 30 Ca 0.04 0.67 -0.27 0.00 0.31 0.00 0.00 61.69 62.44 1i4k s THR 30 Cb -0.00 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.77 1i4k s THR 30 CO 0.01 0.21 1.69 -0.22 -0.69 0.00 0.00 174.62 175.62 1i4k s LEU 31 N 1.60 3.36 0.14 4.42 2.96 -0.42 0.85 118.68 131.59 1i4k s LEU 31 Ca 0.18 0.47 0.14 0.00 -0.22 0.00 0.00 54.13 54.70 1i4k s LEU 31 Cb -0.15 -2.87 -0.09 0.00 0.50 0.00 0.00 46.19 43.58 1i4k s LEU 31 CO 0.08 -2.03 1.10 -0.78 -1.32 0.00 0.00 176.35 173.41 1i4k h ASP 32 N 13.19 0.00 -1.40 3.68 1.82 -1.32 0.31 116.42 132.70 1i4k h ASP 32 Ca -0.28 0.00 0.29 0.00 -0.39 0.00 0.00 57.03 56.65 1i4k h ASP 32 Cb 1.14 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.09 1i4k h ASP 32 CO 1.17 0.66 0.71 0.61 -1.61 0.00 0.00 179.24 180.78 1i4k n GLY 33 N 1.34 0.18 3.61 -0.78 0.00 -1.19 -4.81 105.19 103.55 1i4k n GLY 33 Ca -0.05 -0.95 -0.01 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.03 -0.07 0.33 1.61 -0.85 -1.26 -2.21 117.35 112.86 1i4k s TYR 34 Ca 0.23 -0.01 0.04 0.00 -0.52 0.00 0.00 57.07 56.81 1i4k s TYR 34 Cb -0.00 0.54 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 1i4k s TYR 34 CO -0.02 -0.26 0.15 -0.40 -1.52 0.00 0.00 175.55 173.50 1i4k n ASP 35 N -0.35 0.75 -0.36 -0.18 5.68 -1.19 -4.99 116.55 115.90 1i4k n ASP 35 Ca -0.05 -2.87 0.09 0.00 -0.50 0.00 0.00 54.79 51.46 1i4k n ASP 35 Cb 0.61 1.02 0.27 0.00 -1.14 0.00 0.00 41.12 41.88 1i4k n ASP 35 CO 0.00 0.00 0.00 0.16 -1.33 0.00 0.00 177.20 176.03 1i4k h ILE 36 N 1.66 0.85 0.00 2.12 3.07 -2.03 -0.00 117.51 123.18 1i4k h ILE 36 Ca -0.25 -0.31 0.00 0.00 1.55 0.00 0.00 64.86 65.84 1i4k h ILE 36 Cb 1.04 -0.15 0.00 0.00 -0.27 0.00 0.00 36.82 37.44 1i4k h ILE 36 CO 0.40 0.17 0.00 1.41 -1.05 0.00 0.00 178.15 179.07 1i4k n HIS 37 N -4.66 0.02 -1.68 0.16 8.25 -1.26 -4.84 115.22 111.21 1i4k n HIS 37 Ca 0.20 0.01 -0.04 0.00 -0.26 0.00 0.00 57.72 57.63 1i4k n HIS 37 Cb 0.43 -0.51 -0.01 0.00 1.12 0.00 0.00 29.99 31.02 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 -1.52 -0.32 -2.36 -0.41 2.81 -0.02 -4.21 117.12 111.09 1i4k n MET 38 Ca 0.03 0.39 -0.36 0.00 -1.81 0.00 0.00 57.70 55.95 1i4k n MET 38 Cb 0.14 -4.10 -0.02 0.00 -0.71 0.00 0.00 33.22 28.54 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 -2.87 6.14 0.18 7.83 0.01 -1.26 -3.47 114.94 121.50 1i4k s ASN 39 Ca 0.00 2.14 0.07 0.00 -0.71 0.00 0.00 52.86 54.36 1i4k s ASN 39 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1i4k s ASN 39 CO 0.00 -0.93 -0.15 -0.76 -1.51 0.00 0.00 177.10 173.75 1i4k s LEU 40 N -3.35 2.51 -0.12 0.60 1.43 0.10 -3.19 118.68 116.68 1i4k s LEU 40 Ca 0.67 -0.96 -0.00 0.00 -1.03 0.00 0.00 54.13 52.80 1i4k s LEU 40 Cb -0.23 -0.67 0.02 0.00 0.03 0.00 0.00 46.19 45.34 1i4k s LEU 40 CO 0.28 -0.15 -0.09 -0.69 0.23 0.00 0.00 176.35 175.92 1i4k s VAL 41 N -2.72 1.16 -0.14 -1.59 1.01 -0.94 -0.41 120.40 116.78 1i4k s VAL 41 Ca 0.19 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1i4k s VAL 41 Cb -0.02 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.21 1i4k s VAL 41 CO 0.06 0.39 -0.15 -0.76 0.00 0.00 0.00 175.10 174.64 1i4k s LEU 42 N 1.57 2.56 0.17 3.92 1.43 -0.36 -0.82 118.68 127.15 1i4k s LEU 42 Ca 0.03 -0.41 0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1i4k s LEU 42 Cb -0.13 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 1i4k s LEU 42 CO -0.08 0.13 0.28 -0.76 0.23 0.00 0.00 176.35 176.16 1i4k s LEU 43 N 0.54 4.28 -1.04 1.79 2.01 0.25 -1.38 118.68 125.13 1i4k s LEU 43 Ca -0.10 0.12 -0.25 0.00 0.01 0.00 0.00 54.13 53.91 1i4k s LEU 43 Cb -0.16 -2.84 0.03 0.00 0.01 0.00 0.00 46.19 43.23 1i4k s LEU 43 CO 0.04 0.03 0.47 0.47 1.01 0.00 0.00 176.35 178.37 1i4k n ASP 44 N -0.70 -2.70 -4.30 2.29 9.92 -0.36 -0.06 116.55 120.65 1i4k n ASP 44 Ca -0.07 -1.07 -0.31 0.00 -0.53 0.00 0.00 54.79 52.80 1i4k n ASP 44 Cb 0.55 -1.29 -0.16 0.00 -0.64 0.00 0.00 41.12 39.58 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 -3.85 2.17 -0.08 2.24 0.00 -0.89 -4.18 121.76 117.16 1i4k s ALA 45 Ca 0.34 -1.10 0.01 0.00 0.00 0.00 0.00 51.96 51.21 1i4k s ALA 45 Cb -0.19 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 1i4k s ALA 45 CO 0.80 0.50 -0.09 -1.83 0.00 0.00 0.00 175.76 175.14 1i4k s GLU 46 N -0.49 2.91 -0.27 0.00 -1.05 -0.05 -1.78 118.70 117.97 1i4k s GLU 46 Ca 0.06 -0.60 -0.24 0.00 -0.15 0.00 0.00 54.97 54.05 1i4k s GLU 46 Cb -0.11 -2.59 -0.00 0.00 -0.44 0.00 0.00 34.13 30.99 1i4k s GLU 46 CO 0.00 0.53 0.80 -2.00 0.95 0.00 0.00 175.26 175.55 1i4k s GLU 47 N -0.47 4.10 -0.42 -4.83 2.12 -0.95 -2.32 118.70 115.92 1i4k s GLU 47 Ca 0.07 0.78 -0.16 0.00 0.36 0.00 0.00 54.97 56.02 1i4k s GLU 47 Cb -0.12 -3.68 0.03 0.00 0.26 0.00 0.00 34.13 30.62 1i4k s GLU 47 CO 0.02 -0.57 0.35 0.42 -0.54 0.00 0.00 175.26 174.93 1i4k s ILE 48 N 2.86 5.21 -0.98 -3.70 1.09 -0.02 -1.53 121.20 124.13 1i4k s ILE 48 Ca 0.33 -0.63 -0.13 0.00 -1.10 0.00 0.00 60.65 59.12 1i4k s ILE 48 Cb -0.15 -3.98 0.21 0.00 -1.06 0.00 0.00 42.46 37.48 1i4k s ILE 48 CO 0.09 -0.37 1.03 -1.58 -0.10 0.00 0.00 174.94 174.01 1i4k s GLN 49 N 1.79 3.84 -0.95 2.79 -0.44 0.12 -1.49 119.66 125.33 1i4k s GLN 49 Ca 0.07 -2.57 -0.10 0.00 -2.50 0.00 0.00 55.36 50.26 1i4k s GLN 49 Cb -0.19 -4.65 -0.00 0.00 -1.64 0.00 0.00 33.01 26.53 1i4k s GLN 49 CO 0.10 -1.43 0.71 0.27 0.50 0.00 0.00 175.29 175.44 1i4k n ASN 50 N 4.32 -5.72 0.00 6.67 6.94 -1.26 -3.16 115.26 123.05 1i4k n ASN 50 Ca 0.22 -0.79 0.00 0.00 -0.02 0.00 0.00 54.58 53.99 1i4k n ASN 50 Cb 0.45 -3.21 0.00 0.00 -2.36 0.00 0.00 39.78 34.65 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1i4k n GLY 51 N -1.71 2.76 3.82 4.83 0.00 -1.26 -5.03 105.19 108.60 1i4k n GLY 51 Ca -0.14 -0.67 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 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 0.00 4.20 -0.04 1.61 -1.05 -1.19 -4.99 118.70 117.24 1i4k s GLU 52 Ca 0.00 0.85 -0.19 0.00 -0.15 0.00 0.00 54.97 55.48 1i4k s GLU 52 Cb 0.00 -2.70 -0.05 0.00 -0.44 0.00 0.00 34.13 30.94 1i4k s GLU 52 CO 0.00 0.29 0.52 0.08 0.95 0.00 0.00 175.26 177.10 1i4k s VAL 53 N -1.70 5.02 -0.34 1.83 1.01 -1.26 0.11 120.40 125.06 1i4k s VAL 53 Ca 0.48 1.07 0.03 0.00 0.00 0.00 0.00 61.98 63.56 1i4k s VAL 53 Cb -0.14 -3.85 0.04 0.00 0.00 0.00 0.00 36.38 32.43 1i4k s VAL 53 CO 0.20 0.42 0.76 1.33 0.00 0.00 0.00 175.10 177.80 1i4k n VAL 54 N 2.84 0.34 -3.61 2.92 0.24 -0.59 -4.93 118.33 115.54 1i4k n VAL 54 Ca -0.08 -0.67 -0.00 0.00 -2.04 0.00 0.00 64.34 61.54 1i4k n VAL 54 Cb 0.51 0.87 -0.01 0.00 -1.47 0.00 0.00 33.84 33.74 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 -0.51 0.14 -0.46 7.34 0.52 -1.26 -4.97 118.95 119.76 1i4k s ARG 55 Ca 0.04 -0.07 0.06 0.00 -0.52 0.00 0.00 55.73 55.25 1i4k s ARG 55 Cb 0.03 0.06 0.22 0.00 0.52 0.00 0.00 34.95 35.77 1i4k s ARG 55 CO 0.04 -0.06 0.65 1.17 0.02 0.00 0.00 175.30 177.12 1i4k n LYS 56 N -0.24 0.59 -2.24 3.54 4.81 -1.26 -2.23 118.16 121.13 1i4k n LYS 56 Ca -0.02 -2.46 -0.32 0.00 -0.87 0.00 0.00 58.31 54.65 1i4k n LYS 56 Cb 0.60 -1.44 -0.02 0.00 0.02 0.00 0.00 35.03 34.19 1i4k n LYS 56 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1i4k s VAL 57 N 0.14 4.59 0.13 3.15 -7.23 -0.73 -4.91 120.40 115.53 1i4k s VAL 57 Ca 0.32 1.11 0.06 0.00 -1.81 0.00 0.00 61.98 61.66 1i4k s VAL 57 Cb 0.12 -3.77 -0.20 0.00 0.56 0.00 0.00 36.38 33.10 1i4k s VAL 57 CO -0.16 -0.83 1.30 1.23 -0.31 0.00 0.00 175.10 176.33 1i4k h GLY 58 N 0.54 0.05 -3.82 2.32 0.00 -1.91 -2.38 103.07 97.87 1i4k h GLY 58 Ca -0.46 -0.11 -0.08 0.00 0.00 0.00 0.00 47.33 46.68 1i4k h GLY 58 CO 0.62 0.10 -0.07 -1.35 0.00 0.00 0.00 176.54 175.83 1i4k s SER 59 N -6.79 -0.33 -0.18 0.19 1.04 -1.26 -1.22 113.70 105.15 1i4k s SER 59 Ca 0.00 0.10 -0.09 0.00 0.48 0.00 0.00 55.95 56.44 1i4k s SER 59 Cb 0.10 0.43 0.06 0.00 0.10 0.00 0.00 66.02 66.72 1i4k s SER 59 CO 0.82 -0.65 0.42 0.68 0.98 0.00 0.00 173.24 175.49 1i4k s VAL 60 N -2.25 -0.13 -0.26 5.02 -7.23 -0.48 -4.96 120.40 110.11 1i4k s VAL 60 Ca -0.07 0.10 -0.10 0.00 -1.81 0.00 0.00 61.98 60.11 1i4k s VAL 60 Cb -0.01 -0.63 -0.05 0.00 0.56 0.00 0.00 36.38 36.25 1i4k s VAL 60 CO -0.01 0.04 0.15 -0.69 -0.31 0.00 0.00 175.10 174.29 1i4k s VAL 61 N 1.62 5.08 -0.18 1.32 1.01 -1.26 -1.22 120.40 126.78 1i4k s VAL 61 Ca -0.08 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 61.96 1i4k s VAL 61 Cb -0.09 -3.40 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1i4k s VAL 61 CO -0.13 0.30 -0.07 -0.63 0.00 0.00 0.00 175.10 174.57 1i4k s ILE 62 N 1.52 3.38 0.25 2.22 1.01 0.46 -4.94 121.20 125.10 1i4k s ILE 62 Ca 0.07 -0.52 -0.30 0.00 0.00 0.00 0.00 60.65 59.90 1i4k s ILE 62 Cb -0.15 -2.49 -0.11 0.00 0.01 0.00 0.00 42.46 39.72 1i4k s ILE 62 CO 0.08 0.47 1.53 -0.13 0.00 0.00 0.00 174.94 176.88 1i4k s ARG 63 N 0.91 4.20 0.40 2.79 1.81 -1.26 0.01 118.95 127.81 1i4k s ARG 63 Ca -0.01 2.42 0.11 0.00 -1.72 0.00 0.00 55.73 56.53 1i4k s ARG 63 Cb -0.15 -3.09 0.92 0.00 -0.45 0.00 0.00 34.95 32.18 1i4k s ARG 63 CO 0.01 -0.54 1.95 0.78 -0.68 0.00 0.00 175.30 176.82 1i4k h GLY 64 N 5.39 0.78 -0.11 -3.53 0.00 -1.73 -2.47 103.07 101.40 1i4k h GLY 64 Ca -0.46 -0.23 0.17 0.00 0.00 0.00 0.00 47.33 46.82 1i4k h GLY 64 CO 0.82 0.13 0.21 -1.80 0.00 0.00 0.00 176.54 175.90 1i4k h ASP 65 N 0.55 0.05 0.59 0.19 1.82 -1.87 -1.40 116.42 116.35 1i4k h ASP 65 Ca 0.32 0.15 0.00 0.00 -0.39 0.00 0.00 57.03 57.11 1i4k h ASP 65 Cb 0.51 0.19 0.00 0.00 0.68 0.00 0.00 39.33 40.71 1i4k h ASP 65 CO -0.10 -0.04 0.00 0.35 -1.61 0.00 0.00 179.24 177.84 1i4k n THR 66 N -5.14 0.02 -2.79 2.25 -2.24 -0.93 -4.89 114.28 100.56 1i4k n THR 66 Ca 0.15 0.01 -0.40 0.00 -2.27 0.00 0.00 64.05 61.54 1i4k n THR 66 Cb 0.49 -0.51 -0.05 0.00 -2.10 0.00 0.00 70.33 68.16 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 -2.60 4.37 -0.20 2.28 1.01 -0.53 -0.69 120.40 124.04 1i4k s VAL 67 Ca 0.27 1.99 -0.17 0.00 0.00 0.00 0.00 61.98 64.07 1i4k s VAL 67 Cb 0.20 -4.28 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1i4k s VAL 67 CO 0.46 0.40 -0.35 0.52 0.00 0.00 0.00 175.10 176.13 1i4k n VAL 68 N 2.25 1.51 -3.65 2.92 0.31 -0.21 -4.87 118.33 116.57 1i4k n VAL 68 Ca -0.00 0.02 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1i4k n VAL 68 Cb 0.49 -2.25 -0.06 0.00 -0.91 0.00 0.00 33.84 31.11 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 -2.82 -0.27 -0.04 3.52 -0.12 -1.21 -5.03 117.98 112.01 1i4k s PHE 69 Ca -0.31 0.21 0.06 0.00 -0.05 0.00 0.00 56.93 56.84 1i4k s PHE 69 Cb 0.06 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 1i4k s PHE 69 CO 0.44 -0.59 -0.21 0.08 -0.05 0.00 0.00 175.22 174.89 1i4k s VAL 70 N -2.60 1.72 -0.06 -2.49 1.01 -1.26 -1.90 120.40 114.81 1i4k s VAL 70 Ca -0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.01 1i4k s VAL 70 Cb -0.01 -1.45 0.04 0.00 0.00 0.00 0.00 36.38 34.96 1i4k s VAL 70 CO -0.03 0.49 0.13 -0.55 0.00 0.00 0.00 175.10 175.14 1i4k s SER 71 N -0.20 0.23 0.28 3.32 0.15 -0.09 -4.98 113.70 112.41 1i4k s SER 71 Ca 0.00 0.27 -0.29 0.00 0.70 0.00 0.00 55.95 56.62 1i4k s SER 71 Cb -0.11 0.16 -0.10 0.00 -1.71 0.00 0.00 66.02 64.26 1i4k s SER 71 CO 0.02 -0.18 1.41 -2.16 1.20 0.00 0.00 173.24 173.52 1i4k s PRO 72 N 1.55 4.28 0.00 5.44 0.04 -1.26 0.33 135.00 145.37 1i4k s PRO 72 Ca -0.05 2.31 0.12 0.00 0.04 0.00 0.00 61.00 63.42 1i4k s PRO 72 Cb -0.12 -3.09 0.73 0.00 0.04 0.00 0.00 34.50 32.07 1i4k s PRO 72 CO -0.05 -0.37 1.17 0.00 0.04 0.00 0.00 177.00 177.78