#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 1.59 -3.38 0.52 -0.02 -1.26 -4.94 135.00 127.52 1i4k n PRO 3 Ca 0.00 0.56 -0.40 0.00 -2.02 0.00 0.00 63.50 61.64 1i4k n PRO 3 Cb 0.00 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 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 -1.94 3.66 0.45 -0.52 0.52 -1.26 -4.97 118.95 114.89 1i4k s ARG 4 Ca 0.61 -0.29 0.33 0.00 -0.52 0.00 0.00 55.73 55.85 1i4k s ARG 4 Cb -0.58 -3.78 1.49 0.00 0.52 0.00 0.00 34.95 32.60 1i4k s ARG 4 CO 0.59 -0.49 1.60 -1.35 0.02 0.00 0.00 175.30 175.66 1i4k h PRO 5 N 8.41 0.04 0.00 3.54 0.11 -2.00 1.16 132.00 143.26 1i4k h PRO 5 Ca -0.30 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.77 1i4k h PRO 5 Cb 1.14 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 1i4k h PRO 5 CO 0.70 0.03 -0.20 -0.07 -0.21 0.00 0.00 178.00 178.24 1i4k h LEU 6 N 0.04 0.00 -0.61 2.35 3.38 -1.99 -2.51 115.31 115.96 1i4k h LEU 6 Ca 0.86 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.68 1i4k h LEU 6 Cb 2.79 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 43.53 1i4k h LEU 6 CO -0.40 0.20 -0.63 0.44 0.09 0.00 0.00 178.44 178.14 1i4k h ASP 7 N 0.00 0.29 0.56 -0.43 3.32 0.97 -1.35 116.42 119.78 1i4k h ASP 7 Ca -0.00 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 56.75 1i4k h ASP 7 Cb 0.93 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 40.38 1i4k h ASP 7 CO 0.03 0.84 -0.59 0.58 -1.72 0.00 0.00 179.24 178.37 1i4k h VAL 8 N 0.18 1.42 -0.09 -1.35 2.07 -1.27 -2.14 116.25 115.07 1i4k h VAL 8 Ca -0.01 -2.02 -0.17 0.00 0.82 0.00 0.00 66.70 65.32 1i4k h VAL 8 Cb 1.14 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.98 1i4k h VAL 8 CO 0.10 0.58 -0.65 0.25 0.02 0.00 0.00 177.57 177.87 1i4k h LEU 9 N 0.03 0.43 -0.18 2.57 5.85 -1.12 -3.21 115.31 119.68 1i4k h LEU 9 Ca -0.01 -0.26 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1i4k h LEU 9 Cb 1.06 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 1i4k h LEU 9 CO 0.08 0.96 0.05 -1.13 -0.34 0.00 0.00 178.44 178.05 1i4k h ASN 10 N 0.27 0.27 0.00 1.25 -0.73 -0.82 -2.74 115.58 113.08 1i4k h ASN 10 Ca -0.01 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 57.93 1i4k h ASN 10 Cb 1.19 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1i4k h ASN 10 CO 0.11 0.43 0.08 0.54 -0.37 0.00 0.00 177.43 178.22 1i4k n ARG 11 N -4.79 0.00 0.00 6.67 1.74 -0.85 -0.83 116.66 118.60 1i4k n ARG 11 Ca -0.04 0.34 0.08 0.00 -0.77 0.00 0.00 57.85 57.46 1i4k n ARG 11 Cb 0.16 -1.58 0.05 0.00 -1.02 0.00 0.00 32.46 30.07 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 -1.33 2.16 -4.66 0.55 7.64 -1.03 -4.98 113.62 111.97 1i4k n SER 12 Ca 0.00 -1.58 -0.40 0.00 1.01 0.00 0.00 58.87 57.90 1i4k n SER 12 Cb 0.08 0.17 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 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 0.58 3.67 -0.13 -3.43 4.77 -0.01 -1.50 117.00 120.96 1i4k n LEU 13 Ca 0.09 1.02 -0.02 0.00 -0.03 0.00 0.00 56.01 57.08 1i4k n LEU 13 Cb 0.40 -1.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1i4k n LEU 13 CO 0.14 -1.10 -0.02 0.29 -1.33 0.00 0.00 177.39 175.38 1i4k n LYS 14 N -0.20 -1.09 -4.42 3.23 5.02 0.03 -4.97 118.16 115.77 1i4k n LYS 14 Ca 0.09 0.37 -0.22 0.00 -2.02 0.00 0.00 58.31 56.54 1i4k n LYS 14 Cb 0.41 -4.24 -0.10 0.00 -0.02 0.00 0.00 35.03 31.08 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 -2.12 3.15 0.19 4.39 0.01 -0.56 -4.90 113.70 113.86 1i4k s SER 15 Ca 0.00 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 55.93 1i4k s SER 15 Cb 0.00 -0.23 -0.08 0.00 0.21 0.00 0.00 66.02 65.92 1i4k s SER 15 CO 0.00 -0.06 1.06 -2.16 0.41 0.00 0.00 173.24 172.49 1i4k s PRO 16 N -3.57 4.65 0.13 12.44 0.04 -1.26 -1.26 135.00 146.18 1i4k s PRO 16 Ca 0.27 1.66 -0.01 0.00 0.04 0.00 0.00 61.00 62.96 1i4k s PRO 16 Cb -0.03 -3.28 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1i4k s PRO 16 CO 0.12 0.18 0.04 0.14 0.04 0.00 0.00 177.00 177.51 1i4k s VAL 17 N -0.46 0.19 -0.13 -0.36 -7.23 0.82 -1.30 120.40 111.94 1i4k s VAL 17 Ca 0.47 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.74 1i4k s VAL 17 Cb -0.28 -2.01 -0.00 0.00 0.56 0.00 0.00 36.38 34.65 1i4k s VAL 17 CO 0.35 -0.52 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.81 1i4k s ILE 18 N -3.98 2.56 -0.20 -0.62 1.01 0.32 -2.08 121.20 118.21 1i4k s ILE 18 Ca 0.23 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.06 1i4k s ILE 18 Cb 0.07 -2.04 0.03 0.00 0.01 0.00 0.00 42.46 40.53 1i4k s ILE 18 CO 0.01 0.54 -0.16 -0.69 0.00 0.00 0.00 174.94 174.63 1i4k s VAL 19 N 0.50 2.20 -0.05 2.92 1.01 0.21 -1.19 120.40 126.01 1i4k s VAL 19 Ca -0.12 -1.08 -0.16 0.00 0.00 0.00 0.00 61.98 60.63 1i4k s VAL 19 Cb -0.16 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.14 1i4k s VAL 19 CO 0.05 0.39 0.42 -0.60 0.00 0.00 0.00 175.10 175.36 1i4k s ARG 20 N 1.26 4.08 0.27 2.72 3.52 -0.77 -1.49 118.95 128.54 1i4k s ARG 20 Ca 0.02 0.40 0.09 0.00 -0.13 0.00 0.00 55.73 56.11 1i4k s ARG 20 Cb -0.15 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.90 1i4k s ARG 20 CO -0.10 0.49 0.05 -0.51 -0.81 0.00 0.00 175.30 174.42 1i4k s LEU 21 N -0.44 3.33 0.09 -0.88 1.43 -0.07 -1.01 118.68 121.14 1i4k s LEU 21 Ca 0.24 -0.57 -0.31 0.00 -1.03 0.00 0.00 54.13 52.46 1i4k s LEU 21 Cb -0.16 -1.85 -0.09 0.00 0.03 0.00 0.00 46.19 44.12 1i4k s LEU 21 CO 0.12 -0.02 1.67 -0.54 0.23 0.00 0.00 176.35 177.80 1i4k s LYS 22 N -3.72 4.19 0.00 1.70 1.02 0.20 -2.00 119.74 121.13 1i4k s LYS 22 Ca 0.32 2.38 0.00 0.00 0.02 0.00 0.00 55.97 58.69 1i4k s LYS 22 Cb -0.06 -3.52 0.00 0.00 -0.52 0.00 0.00 37.83 33.73 1i4k s LYS 22 CO 0.21 -0.73 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1i4k n GLY 23 N 3.99 1.51 0.23 -3.33 0.00 -1.26 -4.62 105.19 101.71 1i4k n GLY 23 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.16 2.78 3.68 -0.02 0.00 -0.85 -5.06 105.19 105.56 1i4k n GLY 24 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.00 0.80 -4.15 1.61 5.12 -1.25 -4.76 116.66 112.03 1i4k n ARG 25 Ca 0.00 0.33 -0.12 0.00 -1.93 0.00 0.00 57.85 56.13 1i4k n ARG 25 Cb 0.00 -2.39 -0.10 0.00 -1.16 0.00 0.00 32.46 28.80 1i4k n ARG 25 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 1i4k s GLU 26 N -3.38 0.77 -0.03 5.56 2.12 -0.95 -0.89 118.70 121.90 1i4k s GLU 26 Ca 0.78 -1.19 -0.00 0.00 0.36 0.00 0.00 54.97 54.93 1i4k s GLU 26 Cb -0.36 -0.28 0.03 0.00 0.26 0.00 0.00 34.13 33.78 1i4k s GLU 26 CO 0.45 0.01 0.01 -0.06 -0.54 0.00 0.00 175.26 175.13 1i4k s PHE 27 N -2.97 0.29 -0.16 5.30 0.40 -0.56 -0.50 117.98 119.78 1i4k s PHE 27 Ca 0.06 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.41 1i4k s PHE 27 Cb 0.01 -0.43 -0.00 0.00 0.51 0.00 0.00 43.02 43.10 1i4k s PHE 27 CO -0.03 -0.15 -0.13 1.03 0.70 0.00 0.00 175.22 176.64 1i4k s ARG 28 N 1.22 3.27 -0.01 0.44 0.52 0.39 -0.62 118.95 124.17 1i4k s ARG 28 Ca -0.07 -0.72 -0.04 0.00 -0.52 0.00 0.00 55.73 54.38 1i4k s ARG 28 Cb -0.13 -2.69 0.01 0.00 0.52 0.00 0.00 34.95 32.66 1i4k s ARG 28 CO -0.02 0.01 0.20 0.41 0.02 0.00 0.00 175.30 175.92 1i4k n GLY 29 N 4.09 0.54 3.74 -3.53 0.00 -0.88 0.13 105.19 109.28 1i4k n GLY 29 Ca -0.19 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.12 5.22 -0.52 2.61 2.01 -0.45 -0.12 115.64 122.27 1i4k s THR 30 Ca 0.05 0.77 -0.28 0.00 0.31 0.00 0.00 61.69 62.53 1i4k s THR 30 Cb -0.00 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.80 1i4k s THR 30 CO -0.00 0.38 1.36 -0.22 -0.69 0.00 0.00 174.62 175.46 1i4k s LEU 31 N 0.34 3.48 -0.00 4.42 2.96 -0.39 -1.25 118.68 128.24 1i4k s LEU 31 Ca 0.22 0.42 0.22 0.00 -0.22 0.00 0.00 54.13 54.76 1i4k s LEU 31 Cb -0.14 -3.24 -0.18 0.00 0.50 0.00 0.00 46.19 43.12 1i4k s LEU 31 CO 0.08 -1.57 0.86 -0.67 -1.32 0.00 0.00 176.35 173.73 1i4k n ASP 32 N 9.10 0.75 0.00 3.68 2.03 0.22 -0.79 116.55 131.55 1i4k n ASP 32 Ca 0.13 -0.70 0.00 0.00 0.52 0.00 0.00 54.79 54.74 1i4k n ASP 32 Cb 0.49 1.13 0.00 0.00 -0.72 0.00 0.00 41.12 42.02 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 1.44 0.71 3.57 0.27 0.00 -1.18 -4.93 105.19 105.07 1i4k n GLY 33 Ca 0.02 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.40 0.00 1.61 -0.85 -1.26 -1.13 117.35 113.33 1i4k s TYR 34 Ca 0.00 0.67 0.00 0.00 -0.52 0.00 0.00 57.07 57.22 1i4k s TYR 34 Cb 0.00 0.45 0.00 0.00 0.38 0.00 0.00 41.96 42.79 1i4k s TYR 34 CO 0.00 -0.37 0.00 -0.40 -1.52 0.00 0.00 175.55 173.26 1i4k n ASP 35 N 0.71 1.49 0.13 -0.18 5.68 -1.08 -4.96 116.55 118.34 1i4k n ASP 35 Ca -0.11 -0.95 -0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1i4k n ASP 35 Cb 0.58 0.00 0.27 0.00 -1.14 0.00 0.00 41.12 40.83 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 0.71 1.30 0.00 2.12 5.03 -2.03 -2.39 117.51 122.24 1i4k h ILE 36 Ca 0.00 -1.45 0.00 0.00 -0.12 0.00 0.00 64.86 63.29 1i4k h ILE 36 Cb 0.00 1.69 0.00 0.00 -3.03 0.00 0.00 36.82 35.48 1i4k h ILE 36 CO 0.00 0.43 0.00 1.41 -0.68 0.00 0.00 178.15 179.31 1i4k n HIS 37 N -4.05 0.00 -2.44 1.37 8.25 -1.26 -4.85 115.22 112.24 1i4k n HIS 37 Ca -0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 1i4k n HIS 37 Cb 0.45 -0.02 0.01 0.00 1.12 0.00 0.00 29.99 31.55 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 -1.02 -1.68 -2.47 -0.41 1.56 -0.90 -4.45 117.12 107.74 1i4k n MET 38 Ca 0.19 0.45 -0.34 0.00 -0.27 0.00 0.00 57.70 57.73 1i4k n MET 38 Cb 0.10 -4.38 -0.03 0.00 2.15 0.00 0.00 33.22 31.06 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 -2.74 6.29 0.08 6.12 0.01 -1.26 -3.52 114.94 119.93 1i4k s ASN 39 Ca 0.08 1.88 0.02 0.00 -0.71 0.00 0.00 52.86 54.13 1i4k s ASN 39 Cb -0.04 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.03 1i4k s ASN 39 CO 0.10 -0.81 -0.07 -0.76 -1.51 0.00 0.00 177.10 174.05 1i4k s LEU 40 N -3.66 2.45 -0.09 0.60 1.43 0.60 -2.63 118.68 117.37 1i4k s LEU 40 Ca 0.66 -0.89 0.02 0.00 -1.03 0.00 0.00 54.13 52.89 1i4k s LEU 40 Cb -0.16 -0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.00 1i4k s LEU 40 CO 0.23 -0.41 -0.16 -0.69 0.23 0.00 0.00 176.35 175.55 1i4k s VAL 41 N -3.08 1.49 0.01 -1.59 1.01 -0.28 0.21 120.40 118.17 1i4k s VAL 41 Ca 0.06 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1i4k s VAL 41 Cb 0.02 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1i4k s VAL 41 CO -0.04 0.44 -0.18 -0.76 0.00 0.00 0.00 175.10 174.56 1i4k s LEU 42 N 0.76 2.10 0.07 3.92 1.43 -0.27 -0.61 118.68 126.09 1i4k s LEU 42 Ca -0.11 -0.41 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 1i4k s LEU 42 Cb -0.16 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.13 1i4k s LEU 42 CO 0.02 0.17 -0.08 -0.76 0.23 0.00 0.00 176.35 175.93 1i4k s LEU 43 N -0.80 3.10 -1.26 1.79 1.43 -0.38 -0.89 118.68 121.67 1i4k s LEU 43 Ca 0.06 -0.30 -0.24 0.00 -1.03 0.00 0.00 54.13 52.62 1i4k s LEU 43 Cb -0.08 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.30 1i4k s LEU 43 CO 0.00 0.21 0.59 -0.67 0.23 0.00 0.00 176.35 176.72 1i4k n ASP 44 N 0.94 -3.39 -4.83 2.29 -0.08 -0.26 -1.35 116.55 109.88 1i4k n ASP 44 Ca -0.14 -1.21 -0.22 0.00 -1.51 0.00 0.00 54.79 51.72 1i4k n ASP 44 Cb 0.52 -2.16 -0.04 0.00 2.34 0.00 0.00 41.12 41.78 1i4k n ASP 44 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1i4k s ALA 45 N -3.67 3.75 -0.04 -1.67 0.00 -0.77 -4.45 121.76 114.91 1i4k s ALA 45 Ca 0.38 -1.65 0.02 0.00 0.00 0.00 0.00 51.96 50.72 1i4k s ALA 45 Cb -0.19 -1.12 0.01 0.00 0.00 0.00 0.00 23.12 21.82 1i4k s ALA 45 CO 0.95 0.05 -0.10 -1.21 0.00 0.00 0.00 175.76 175.44 1i4k s GLU 46 N -3.95 1.28 -0.28 0.00 2.02 0.35 -2.24 118.70 115.88 1i4k s GLU 46 Ca 0.39 -0.34 -0.23 0.00 0.02 0.00 0.00 54.97 54.82 1i4k s GLU 46 Cb -0.06 -1.13 -0.01 0.00 0.10 0.00 0.00 34.13 33.04 1i4k s GLU 46 CO 0.26 0.06 0.75 -2.00 0.02 0.00 0.00 175.26 174.35 1i4k s GLU 47 N 0.46 4.03 -0.07 1.61 2.12 -0.37 -0.46 118.70 126.01 1i4k s GLU 47 Ca -0.09 0.62 -0.04 0.00 0.36 0.00 0.00 54.97 55.82 1i4k s GLU 47 Cb -0.12 -3.70 -0.04 0.00 0.26 0.00 0.00 34.13 30.53 1i4k s GLU 47 CO 0.02 -0.58 0.12 0.42 -0.54 0.00 0.00 175.26 174.69 1i4k s ILE 48 N 2.81 5.15 -0.23 -3.70 1.09 0.35 -1.18 121.20 125.49 1i4k s ILE 48 Ca 0.31 -0.06 -0.03 0.00 -1.10 0.00 0.00 60.65 59.76 1i4k s ILE 48 Cb -0.15 -3.29 0.10 0.00 -1.06 0.00 0.00 42.46 38.06 1i4k s ILE 48 CO 0.11 0.50 0.22 -1.58 -0.10 0.00 0.00 174.94 174.08 1i4k s GLN 49 N -1.35 0.21 -0.87 2.79 2.00 0.79 -2.23 119.66 121.01 1i4k s GLN 49 Ca 0.19 0.01 -0.05 0.00 -2.00 0.00 0.00 55.36 53.51 1i4k s GLN 49 Cb -0.12 -1.13 -0.01 0.00 0.80 0.00 0.00 33.01 32.56 1i4k s GLN 49 CO 0.09 -0.79 0.71 0.09 -0.50 0.00 0.00 175.29 174.89 1i4k n ASN 50 N 5.31 -6.39 0.00 6.67 4.13 -1.26 -2.16 115.26 121.56 1i4k n ASN 50 Ca -0.05 -0.56 0.00 0.00 1.68 0.00 0.00 54.58 55.65 1i4k n ASN 50 Cb 0.48 -3.89 0.00 0.00 -1.54 0.00 0.00 39.78 34.83 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 -1.68 0.15 3.24 7.41 0.00 -1.26 -4.95 105.19 108.09 1i4k n GLY 51 Ca -0.11 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.17 1.46 -0.35 1.61 0.41 -0.92 -5.10 118.70 114.63 1i4k s GLU 52 Ca 0.00 -0.87 -0.26 0.00 -0.41 0.00 0.00 54.97 53.43 1i4k s GLU 52 Cb 0.00 -1.52 0.01 0.00 -1.78 0.00 0.00 34.13 30.84 1i4k s GLU 52 CO 0.00 0.40 0.91 0.08 -0.49 0.00 0.00 175.26 176.16 1i4k s VAL 53 N -0.70 4.62 -0.37 2.63 1.01 -1.26 -0.15 120.40 126.18 1i4k s VAL 53 Ca 0.07 1.24 0.17 0.00 0.00 0.00 0.00 61.98 63.47 1i4k s VAL 53 Cb -0.08 -4.30 -0.24 0.00 0.00 0.00 0.00 36.38 31.76 1i4k s VAL 53 CO 0.01 -0.47 0.54 1.33 0.00 0.00 0.00 175.10 176.51 1i4k n VAL 54 N 5.87 0.00 -3.61 2.92 0.24 -0.32 -4.97 118.33 118.46 1i4k n VAL 54 Ca 0.07 -0.27 -0.16 0.00 -2.04 0.00 0.00 64.34 61.94 1i4k n VAL 54 Cb 0.48 0.49 -0.07 0.00 -1.47 0.00 0.00 33.84 33.27 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 -2.96 0.90 -0.03 7.34 6.06 -1.21 -5.01 118.95 124.03 1i4k s ARG 55 Ca -0.01 0.22 0.03 0.00 -2.50 0.00 0.00 55.73 53.47 1i4k s ARG 55 Cb 0.12 0.42 0.00 0.00 0.06 0.00 0.00 34.95 35.55 1i4k s ARG 55 CO 0.72 -0.25 -0.10 0.21 -2.50 0.00 0.00 175.30 173.38 1i4k s LYS 56 N -1.01 1.12 0.01 5.12 2.20 -1.26 -1.24 119.74 124.68 1i4k s LYS 56 Ca -0.10 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 1i4k s LYS 56 Cb -0.02 -1.02 -0.01 0.00 -1.51 0.00 0.00 37.83 35.27 1i4k s LYS 56 CO 0.07 0.12 -0.03 0.14 -0.36 0.00 0.00 175.35 175.30 1i4k s VAL 57 N 0.22 0.17 -0.10 4.02 -7.23 -0.95 -5.03 120.40 111.50 1i4k s VAL 57 Ca -0.04 -0.40 0.24 0.00 -1.81 0.00 0.00 61.98 59.97 1i4k s VAL 57 Cb -0.10 -0.21 0.26 0.00 0.56 0.00 0.00 36.38 36.90 1i4k s VAL 57 CO 0.01 -0.15 1.72 1.23 -0.31 0.00 0.00 175.10 177.60 1i4k h GLY 58 N 5.55 0.00 -3.56 2.32 0.00 -1.93 -2.04 103.07 103.41 1i4k h GLY 58 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1i4k h GLY 58 CO 0.47 0.00 0.26 -1.35 0.00 0.00 0.00 176.54 175.92 1i4k s SER 59 N -6.15 -0.56 -0.27 0.19 1.04 -1.26 -1.10 113.70 105.59 1i4k s SER 59 Ca 0.03 0.32 -0.22 0.00 0.48 0.00 0.00 55.95 56.56 1i4k s SER 59 Cb 0.08 0.53 0.08 0.00 0.10 0.00 0.00 66.02 66.80 1i4k s SER 59 CO 0.65 -0.73 0.74 0.54 0.98 0.00 0.00 173.24 175.41 1i4k s VAL 60 N -2.44 0.00 -0.21 5.02 0.11 -0.07 -4.97 120.40 117.84 1i4k s VAL 60 Ca -0.04 0.00 -0.06 0.00 -2.93 0.00 0.00 61.98 58.95 1i4k s VAL 60 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.81 1i4k s VAL 60 CO -0.02 0.00 0.04 -0.69 -3.33 0.00 0.00 175.10 171.09 1i4k s VAL 61 N 0.83 4.29 -0.09 2.04 1.01 -1.26 -1.11 120.40 126.10 1i4k s VAL 61 Ca -0.04 -0.20 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1i4k s VAL 61 Cb -0.05 -2.95 -0.02 0.00 0.00 0.00 0.00 36.38 33.36 1i4k s VAL 61 CO -0.07 0.41 -0.14 -0.63 0.00 0.00 0.00 175.10 174.67 1i4k s ILE 62 N 0.96 3.01 -0.24 2.22 1.01 0.13 -4.97 121.20 123.32 1i4k s ILE 62 Ca 0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.68 1i4k s ILE 62 Cb -0.14 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.11 1i4k s ILE 62 CO 0.02 0.55 1.16 -0.13 0.00 0.00 0.00 174.94 176.55 1i4k s ARG 63 N -0.12 4.15 0.55 2.79 1.81 -1.26 -0.30 118.95 126.58 1i4k s ARG 63 Ca -0.02 1.36 0.36 0.00 -1.72 0.00 0.00 55.73 55.72 1i4k s ARG 63 Cb -0.14 -3.74 1.52 0.00 -0.45 0.00 0.00 34.95 32.15 1i4k s ARG 63 CO 0.04 -0.80 1.77 0.78 -0.68 0.00 0.00 175.30 176.41 1i4k h GLY 64 N 9.92 0.00 1.39 -3.53 0.00 -1.78 0.33 103.07 109.40 1i4k h GLY 64 Ca -0.23 0.00 0.08 0.00 0.00 0.00 0.00 47.33 47.19 1i4k h GLY 64 CO 1.00 0.00 0.22 -1.80 0.00 0.00 0.00 176.54 175.96 1i4k h ASP 65 N 0.00 0.00 0.76 0.19 1.82 -1.86 -1.85 116.42 115.48 1i4k h ASP 65 Ca 0.55 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.19 1i4k h ASP 65 Cb 2.28 0.00 0.00 0.00 0.68 0.00 0.00 39.33 42.29 1i4k h ASP 65 CO -0.01 0.00 -0.88 0.41 -1.61 0.00 0.00 179.24 177.15 1i4k n THR 66 N -4.32 0.37 -2.56 2.25 -1.04 0.12 -4.96 114.28 104.15 1i4k n THR 66 Ca 0.04 -0.35 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 1i4k n THR 66 Cb 0.39 -0.09 -0.04 0.00 -1.82 0.00 0.00 70.33 68.77 1i4k n THR 66 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1i4k s VAL 67 N -3.24 4.12 -0.25 12.58 1.01 -0.70 -0.62 120.40 133.29 1i4k s VAL 67 Ca 0.03 1.72 -0.17 0.00 0.00 0.00 0.00 61.98 63.56 1i4k s VAL 67 Cb 0.13 -4.10 -0.14 0.00 0.00 0.00 0.00 36.38 32.27 1i4k s VAL 67 CO 0.77 0.25 -0.16 0.52 0.00 0.00 0.00 175.10 176.47 1i4k n VAL 68 N 2.88 1.53 -3.73 2.92 0.31 -0.18 -4.88 118.33 117.17 1i4k n VAL 68 Ca 0.04 -0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.05 1i4k n VAL 68 Cb 0.47 -1.97 -0.03 0.00 -0.91 0.00 0.00 33.84 31.40 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 -2.47 -0.18 -0.02 3.52 -0.12 -1.22 -5.02 117.98 112.47 1i4k s PHE 69 Ca -0.35 -0.17 0.01 0.00 -0.05 0.00 0.00 56.93 56.37 1i4k s PHE 69 Cb 0.11 0.50 0.01 0.00 -0.63 0.00 0.00 43.02 43.01 1i4k s PHE 69 CO 0.51 -1.00 -0.02 0.08 -0.05 0.00 0.00 175.22 174.74 1i4k s VAL 70 N -3.87 0.26 -0.10 -2.49 1.01 -1.26 -1.85 120.40 112.10 1i4k s VAL 70 Ca 0.09 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.86 1i4k s VAL 70 Cb -0.02 -0.28 0.03 0.00 0.00 0.00 0.00 36.38 36.11 1i4k s VAL 70 CO -0.01 0.11 0.38 -0.94 0.00 0.00 0.00 175.10 174.64 1i4k s SER 71 N 0.40 -0.35 0.36 3.32 1.04 -0.33 -4.97 113.70 113.17 1i4k s SER 71 Ca -0.04 0.57 -0.27 0.00 0.48 0.00 0.00 55.95 56.69 1i4k s SER 71 Cb -0.07 0.64 -0.12 0.00 0.10 0.00 0.00 66.02 66.57 1i4k s SER 71 CO -0.01 -0.25 1.14 -2.65 0.98 0.00 0.00 173.24 172.46 1i4k n PRO 72 N 2.30 1.71 -0.97 4.02 -0.02 -1.26 0.12 135.00 140.90 1i4k n PRO 72 Ca -0.16 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.56 1i4k n PRO 72 Cb 0.57 -2.14 0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1i4k n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1i4k n ALA 73 N 0.01 -5.41 0.00 3.55 0.00 -0.42 -4.64 120.51 113.61 1i4k n ALA 73 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.53 1i4k n ALA 73 Cb 0.36 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1i4k n ALA 73 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20