#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 0.70 -3.86 0.52 -0.02 -1.26 -4.92 135.00 126.17 1i4k n PRO 3 Ca 0.00 0.25 -0.36 0.00 -2.02 0.00 0.00 63.50 61.38 1i4k n PRO 3 Cb 0.00 -1.56 -0.11 0.00 -0.02 0.00 0.00 33.50 31.81 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 -1.57 3.82 0.28 -0.52 0.52 -1.26 -5.00 118.95 115.23 1i4k s ARG 4 Ca 0.63 -0.40 -0.08 0.00 -0.52 0.00 0.00 55.73 55.35 1i4k s ARG 4 Cb -0.64 -3.31 0.45 0.00 0.52 0.00 0.00 34.95 31.97 1i4k s ARG 4 CO 0.58 0.01 1.56 -1.35 0.02 0.00 0.00 175.30 176.12 1i4k h PRO 5 N 7.59 -0.00 -0.22 3.54 0.11 -2.00 0.32 132.00 141.33 1i4k h PRO 5 Ca -0.37 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.79 1i4k h PRO 5 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1i4k h PRO 5 CO 0.62 -0.00 0.16 -0.07 -0.21 0.00 0.00 178.00 178.50 1i4k h LEU 6 N -0.00 0.06 -0.42 2.35 4.07 -1.98 -1.22 115.31 118.17 1i4k h LEU 6 Ca 0.47 -0.00 -0.18 0.00 0.08 0.00 0.00 57.88 58.25 1i4k h LEU 6 Cb 0.72 -0.01 -0.01 0.00 1.08 0.00 0.00 40.66 42.44 1i4k h LEU 6 CO -1.02 0.04 -0.74 0.44 -1.08 0.00 0.00 178.44 176.08 1i4k h ASP 7 N 0.07 0.40 0.00 -0.43 3.45 -0.78 -0.33 116.42 118.81 1i4k h ASP 7 Ca 0.10 -0.27 -0.12 0.00 0.43 0.00 0.00 57.03 57.17 1i4k h ASP 7 Cb 0.33 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 38.96 1i4k h ASP 7 CO -0.01 1.01 -0.39 0.58 -1.57 0.00 0.00 179.24 178.86 1i4k h VAL 8 N 0.22 1.30 -0.42 -1.35 2.07 -1.06 -1.70 116.25 115.31 1i4k h VAL 8 Ca -0.03 -1.53 -0.09 0.00 0.82 0.00 0.00 66.70 65.87 1i4k h VAL 8 Cb 1.31 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1i4k h VAL 8 CO 0.12 0.48 -0.10 0.25 0.02 0.00 0.00 177.57 178.34 1i4k h LEU 9 N 0.42 0.73 -0.69 2.57 5.85 -0.96 -2.72 115.31 120.52 1i4k h LEU 9 Ca 0.04 -0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.45 1i4k h LEU 9 Cb 0.86 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1i4k h LEU 9 CO 0.07 0.86 -0.09 -1.13 -0.34 0.00 0.00 178.44 177.82 1i4k h ASN 10 N 0.68 0.92 0.02 1.25 -0.73 -0.39 -2.47 115.58 114.86 1i4k h ASN 10 Ca 0.12 -0.28 0.00 0.00 1.87 0.00 0.00 56.30 58.00 1i4k h ASN 10 Cb 0.57 -0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1i4k h ASN 10 CO 0.04 1.03 0.00 0.54 -0.37 0.00 0.00 177.43 178.66 1i4k n ARG 11 N -4.16 0.20 0.00 6.67 1.74 -0.70 -1.41 116.66 118.99 1i4k n ARG 11 Ca 0.02 0.04 0.05 0.00 -0.77 0.00 0.00 57.85 57.19 1i4k n ARG 11 Cb 0.38 -1.50 0.03 0.00 -1.02 0.00 0.00 32.46 30.34 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 -1.06 1.63 -4.60 0.55 7.64 -0.93 -4.99 113.62 111.86 1i4k n SER 12 Ca 0.05 -1.32 -0.40 0.00 1.01 0.00 0.00 58.87 58.21 1i4k n SER 12 Cb 0.03 0.18 0.02 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.28 2.71 -1.67 -3.43 4.77 -0.50 -1.70 117.00 117.45 1i4k n LEU 13 Ca 0.05 0.94 -0.18 0.00 -0.03 0.00 0.00 56.01 56.80 1i4k n LEU 13 Cb 0.24 -1.34 -0.06 0.00 -2.33 0.00 0.00 43.42 39.93 1i4k n LEU 13 CO 0.09 -1.74 -0.18 0.29 -1.33 0.00 0.00 177.39 174.52 1i4k n LYS 14 N -0.17 -1.47 -4.24 3.23 5.02 0.22 -4.95 118.16 115.80 1i4k n LYS 14 Ca 0.11 1.01 -0.21 0.00 -2.02 0.00 0.00 58.31 57.19 1i4k n LYS 14 Cb 0.42 -5.39 -0.12 0.00 -0.02 0.00 0.00 35.03 29.92 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 -2.42 2.08 0.09 4.39 0.01 -0.69 -4.88 113.70 112.29 1i4k s SER 15 Ca 0.00 -0.64 -0.31 0.00 1.31 0.00 0.00 55.95 56.31 1i4k s SER 15 Cb 0.00 -0.09 -0.08 0.00 0.21 0.00 0.00 66.02 66.05 1i4k s SER 15 CO 0.00 -0.01 1.52 -2.16 0.41 0.00 0.00 173.24 173.01 1i4k s PRO 16 N -1.78 4.25 0.32 12.44 0.04 -1.26 -1.53 135.00 147.48 1i4k s PRO 16 Ca 0.02 2.21 0.05 0.00 0.04 0.00 0.00 61.00 63.32 1i4k s PRO 16 Cb -0.10 -3.40 -0.06 0.00 0.04 0.00 0.00 34.50 30.98 1i4k s PRO 16 CO 0.03 -0.60 0.00 0.14 0.04 0.00 0.00 177.00 176.61 1i4k s VAL 17 N 1.86 1.51 -0.16 -0.36 -7.23 -0.19 -1.30 120.40 114.53 1i4k s VAL 17 Ca 0.69 -2.05 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 1i4k s VAL 17 Cb -0.38 -2.70 0.01 0.00 0.56 0.00 0.00 36.38 33.87 1i4k s VAL 17 CO 0.30 -0.12 -0.19 -0.63 -0.31 0.00 0.00 175.10 174.15 1i4k s ILE 18 N -3.08 2.24 -0.21 -0.62 1.01 0.15 -2.80 121.20 117.88 1i4k s ILE 18 Ca 0.34 -0.91 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 1i4k s ILE 18 Cb 0.07 -1.92 0.01 0.00 0.01 0.00 0.00 42.46 40.63 1i4k s ILE 18 CO 0.15 0.54 -0.11 -0.69 0.00 0.00 0.00 174.94 174.82 1i4k s VAL 19 N 0.95 2.67 -0.18 2.92 1.01 0.57 -1.59 120.40 126.76 1i4k s VAL 19 Ca -0.03 -0.86 -0.17 0.00 0.00 0.00 0.00 61.98 60.92 1i4k s VAL 19 Cb -0.15 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 1i4k s VAL 19 CO -0.04 0.39 0.44 -0.60 0.00 0.00 0.00 175.10 175.29 1i4k s ARG 20 N 1.35 4.23 0.40 2.72 6.06 -0.75 -1.03 118.95 131.92 1i4k s ARG 20 Ca 0.03 0.31 0.08 0.00 -2.50 0.00 0.00 55.73 53.65 1i4k s ARG 20 Cb -0.15 -3.51 -0.03 0.00 0.06 0.00 0.00 34.95 31.32 1i4k s ARG 20 CO -0.08 0.01 0.29 -0.51 -2.50 0.00 0.00 175.30 172.51 1i4k s LEU 21 N 1.14 3.32 0.34 -0.88 1.43 -0.13 0.18 118.68 124.08 1i4k s LEU 21 Ca 0.22 -0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 52.21 1i4k s LEU 21 Cb -0.15 -1.87 -0.11 0.00 0.03 0.00 0.00 46.19 44.09 1i4k s LEU 21 CO 0.09 -0.56 1.51 -0.54 0.23 0.00 0.00 176.35 177.08 1i4k s LYS 22 N -4.03 4.14 0.00 1.70 -0.14 0.77 -3.41 119.74 118.76 1i4k s LYS 22 Ca 0.44 2.54 0.00 0.00 -1.36 0.00 0.00 55.97 57.59 1i4k s LYS 22 Cb -0.01 -3.00 0.00 0.00 -1.68 0.00 0.00 37.83 33.13 1i4k s LYS 22 CO 0.26 -0.55 0.00 0.41 -0.76 0.00 0.00 175.35 174.71 1i4k n GLY 23 N 1.22 0.63 3.33 -3.33 0.00 -1.26 -4.04 105.19 101.74 1i4k n GLY 23 Ca 0.04 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.65 0.71 3.81 -0.02 0.00 -1.22 -4.93 105.19 101.89 1i4k n GLY 24 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.31 3.41 0.11 1.61 3.52 -1.25 -4.26 118.95 121.78 1i4k s ARG 25 Ca 0.00 1.16 -0.07 0.00 -0.13 0.00 0.00 55.73 56.69 1i4k s ARG 25 Cb 0.00 -2.05 -0.01 0.00 -1.56 0.00 0.00 34.95 31.33 1i4k s ARG 25 CO 0.00 -0.73 0.18 -2.00 -0.81 0.00 0.00 175.30 171.94 1i4k s GLU 26 N -4.10 0.92 -0.05 5.12 2.12 0.35 -0.95 118.70 122.11 1i4k s GLU 26 Ca 0.63 -1.10 -0.03 0.00 0.36 0.00 0.00 54.97 54.83 1i4k s GLU 26 Cb -0.15 0.33 0.02 0.00 0.26 0.00 0.00 34.13 34.59 1i4k s GLU 26 CO 0.36 -0.30 0.11 -0.06 -0.54 0.00 0.00 175.26 174.84 1i4k s PHE 27 N -3.92 -0.12 -0.17 5.30 0.40 -0.20 -1.48 117.98 117.79 1i4k s PHE 27 Ca 0.11 0.34 0.00 0.00 -0.60 0.00 0.00 56.93 56.78 1i4k s PHE 27 Cb 0.05 -0.04 0.04 0.00 0.51 0.00 0.00 43.02 43.58 1i4k s PHE 27 CO -0.06 -0.10 -0.09 1.03 0.70 0.00 0.00 175.22 176.69 1i4k s ARG 28 N 0.59 1.87 0.09 0.44 0.52 -0.86 -0.32 118.95 121.29 1i4k s ARG 28 Ca -0.04 -0.65 -0.09 0.00 -0.52 0.00 0.00 55.73 54.43 1i4k s ARG 28 Cb -0.06 -2.17 0.03 0.00 0.52 0.00 0.00 34.95 33.27 1i4k s ARG 28 CO -0.03 -0.38 0.43 0.41 0.02 0.00 0.00 175.30 175.75 1i4k n GLY 29 N 4.78 1.09 3.73 -3.53 0.00 -1.12 -1.19 105.19 108.95 1i4k n GLY 29 Ca -0.14 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.48 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 -2.39 5.26 -0.08 2.61 2.01 -0.19 -1.02 115.64 121.85 1i4k s THR 30 Ca 0.09 0.67 -0.30 0.00 0.31 0.00 0.00 61.69 62.47 1i4k s THR 30 Cb -0.01 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.77 1i4k s THR 30 CO 0.03 0.38 1.43 -0.22 -0.69 0.00 0.00 174.62 175.56 1i4k s LEU 31 N 0.42 4.27 -0.00 4.42 2.96 -0.58 -0.98 118.68 129.19 1i4k s LEU 31 Ca 0.19 2.00 0.03 0.00 -0.22 0.00 0.00 54.13 56.14 1i4k s LEU 31 Cb -0.14 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.97 1i4k s LEU 31 CO 0.06 -0.80 0.10 -0.67 -1.32 0.00 0.00 176.35 173.72 1i4k n ASP 32 N 6.39 2.22 -3.63 3.68 2.03 -0.28 0.73 116.55 127.69 1i4k n ASP 32 Ca 0.15 -0.29 0.03 0.00 0.52 0.00 0.00 54.79 55.20 1i4k n ASP 32 Cb 0.44 1.07 -0.00 0.00 -0.72 0.00 0.00 41.12 41.91 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 -1.82 -0.42 -0.15 0.27 0.00 -1.19 -4.90 107.32 99.11 1i4k s GLY 33 Ca 0.00 0.72 -0.34 0.00 0.00 0.00 0.00 44.72 45.09 1i4k s GLY 33 CO 0.13 0.91 1.33 -2.52 0.00 0.00 0.00 173.10 172.95 1i4k s TYR 34 N -2.21 -0.05 0.29 1.90 -0.85 -1.26 -2.16 117.35 113.01 1i4k s TYR 34 Ca 0.17 0.01 0.02 0.00 -0.52 0.00 0.00 57.07 56.74 1i4k s TYR 34 Cb 0.05 0.52 -0.01 0.00 0.38 0.00 0.00 41.96 42.90 1i4k s TYR 34 CO -0.05 -0.13 0.07 -0.40 -1.52 0.00 0.00 175.55 173.52 1i4k n ASP 35 N -0.26 1.70 0.22 -0.18 5.68 -0.93 -4.94 116.55 117.85 1i4k n ASP 35 Ca -0.03 -2.46 0.07 0.00 -0.50 0.00 0.00 54.79 51.87 1i4k n ASP 35 Cb 0.60 0.55 0.60 0.00 -1.14 0.00 0.00 41.12 41.73 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 1.36 1.03 -0.01 2.12 5.03 -2.03 -0.90 117.51 124.12 1i4k h ILE 36 Ca -0.23 -0.09 0.00 0.00 -0.12 0.00 0.00 64.86 64.42 1i4k h ILE 36 Cb 0.83 0.97 0.00 0.00 -3.03 0.00 0.00 36.82 35.59 1i4k h ILE 36 CO 0.38 0.03 -0.03 1.41 -0.68 0.00 0.00 178.15 179.26 1i4k n HIS 37 N -4.51 0.00 -2.46 1.37 8.25 -1.26 -4.91 115.22 111.71 1i4k n HIS 37 Ca -0.02 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1i4k n HIS 37 Cb 0.10 -0.07 0.01 0.00 1.12 0.00 0.00 29.99 31.16 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 -1.46 -2.69 -0.41 1.56 -0.34 -4.49 117.12 108.63 1i4k n MET 38 Ca 0.19 0.30 -0.41 0.00 -0.27 0.00 0.00 57.70 57.52 1i4k n MET 38 Cb 0.23 -3.92 -0.05 0.00 2.15 0.00 0.00 33.22 31.63 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 -2.88 7.51 0.28 6.12 0.01 -1.26 -3.77 114.94 120.95 1i4k s ASN 39 Ca 0.09 1.94 0.11 0.00 -0.71 0.00 0.00 52.86 54.28 1i4k s ASN 39 Cb -0.04 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.97 1i4k s ASN 39 CO 0.11 0.00 -0.16 -0.76 -1.51 0.00 0.00 177.10 174.78 1i4k s LEU 40 N -0.67 2.60 -0.08 0.60 1.43 -0.34 -2.18 118.68 120.04 1i4k s LEU 40 Ca 0.45 -1.07 0.01 0.00 -1.03 0.00 0.00 54.13 52.48 1i4k s LEU 40 Cb -0.26 -0.99 0.02 0.00 0.03 0.00 0.00 46.19 44.99 1i4k s LEU 40 CO 0.32 -0.06 -0.08 -0.69 0.23 0.00 0.00 176.35 176.07 1i4k s VAL 41 N -2.63 0.91 -0.01 -1.59 1.01 -0.92 -0.96 120.40 116.20 1i4k s VAL 41 Ca 0.29 -0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.06 1i4k s VAL 41 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 36.38 35.43 1i4k s VAL 41 CO 0.14 0.33 -0.23 -0.76 0.00 0.00 0.00 175.10 174.57 1i4k s LEU 42 N 1.24 2.05 0.02 3.92 1.43 -0.58 -1.13 118.68 125.64 1i4k s LEU 42 Ca -0.05 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.66 1i4k s LEU 42 Cb -0.14 -1.19 -0.04 0.00 0.03 0.00 0.00 46.19 44.85 1i4k s LEU 42 CO -0.02 0.28 -0.03 -0.76 0.23 0.00 0.00 176.35 176.05 1i4k s LEU 43 N -0.58 3.35 -0.85 1.79 1.43 -0.15 -1.31 118.68 122.35 1i4k s LEU 43 Ca 0.09 -0.11 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1i4k s LEU 43 Cb -0.09 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.17 1i4k s LEU 43 CO -0.01 0.26 0.66 -0.67 0.23 0.00 0.00 176.35 176.82 1i4k n ASP 44 N 1.28 -5.90 -4.70 2.29 -0.08 0.12 -1.02 116.55 108.53 1i4k n ASP 44 Ca -0.14 -0.68 -0.28 0.00 -1.51 0.00 0.00 54.79 52.18 1i4k n ASP 44 Cb 0.52 -3.14 -0.09 0.00 2.34 0.00 0.00 41.12 40.76 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 -3.07 3.58 -0.10 -1.67 0.00 -0.47 -3.84 121.76 116.19 1i4k s ALA 45 Ca 0.08 -1.76 -0.09 0.00 0.00 0.00 0.00 51.96 50.19 1i4k s ALA 45 Cb -0.03 -0.08 0.03 0.00 0.00 0.00 0.00 23.12 23.04 1i4k s ALA 45 CO 0.84 -0.13 0.27 -1.83 0.00 0.00 0.00 175.76 174.91 1i4k s GLU 46 N -3.84 0.31 0.16 0.00 -1.05 -0.33 -1.57 118.70 112.37 1i4k s GLU 46 Ca 0.30 0.41 -0.15 0.00 -0.15 0.00 0.00 54.97 55.37 1i4k s GLU 46 Cb 0.06 0.12 -0.07 0.00 -0.44 0.00 0.00 34.13 33.80 1i4k s GLU 46 CO 0.16 -0.05 0.58 -2.00 0.95 0.00 0.00 175.26 174.89 1i4k s GLU 47 N 0.29 4.03 -0.05 -4.83 2.12 -0.38 -2.02 118.70 117.85 1i4k s GLU 47 Ca -0.01 0.56 -0.02 0.00 0.36 0.00 0.00 54.97 55.86 1i4k s GLU 47 Cb -0.03 -2.93 0.03 0.00 0.26 0.00 0.00 34.13 31.45 1i4k s GLU 47 CO -0.01 0.47 0.03 0.42 -0.54 0.00 0.00 175.26 175.63 1i4k s ILE 48 N -1.46 0.12 -0.10 -3.70 1.01 -0.55 -1.44 121.20 115.08 1i4k s ILE 48 Ca 0.38 0.28 0.04 0.00 0.00 0.00 0.00 60.65 61.35 1i4k s ILE 48 Cb -0.15 -0.33 0.00 0.00 0.01 0.00 0.00 42.46 41.99 1i4k s ILE 48 CO 0.19 0.22 -0.23 -1.58 0.00 0.00 0.00 174.94 173.54 1i4k s GLN 49 N 2.05 2.98 -1.44 2.79 2.00 -0.63 -0.50 119.66 126.91 1i4k s GLN 49 Ca 0.05 -0.85 -0.09 0.00 -2.00 0.00 0.00 55.36 52.46 1i4k s GLN 49 Cb -0.12 -2.27 0.05 0.00 0.80 0.00 0.00 33.01 31.47 1i4k s GLN 49 CO -0.04 0.16 0.71 0.27 -0.50 0.00 0.00 175.29 175.88 1i4k n ASN 50 N 3.58 -4.97 0.00 6.67 0.23 -1.26 -1.62 115.26 117.89 1i4k n ASN 50 Ca -0.19 -0.47 0.00 0.00 -0.53 0.00 0.00 54.58 53.39 1i4k n ASN 50 Cb 0.53 -4.02 0.00 0.00 -2.08 0.00 0.00 39.78 34.21 1i4k n ASN 50 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1i4k n GLY 51 N -1.48 1.10 3.27 4.83 0.00 -1.26 -5.03 105.19 106.62 1i4k n GLY 51 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.15 1.42 0.50 1.61 -1.05 -0.64 -5.11 118.70 115.28 1i4k s GLU 52 Ca 0.00 -1.00 -0.23 0.00 -0.15 0.00 0.00 54.97 53.59 1i4k s GLU 52 Cb 0.00 -1.57 -0.06 0.00 -0.44 0.00 0.00 34.13 32.06 1i4k s GLU 52 CO 0.00 0.40 1.31 0.08 0.95 0.00 0.00 175.26 178.00 1i4k s VAL 53 N -0.85 2.37 0.00 1.83 1.01 -1.26 -1.61 120.40 121.90 1i4k s VAL 53 Ca 0.08 0.29 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1i4k s VAL 53 Cb -0.09 -3.15 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1i4k s VAL 53 CO 0.02 0.01 0.00 1.33 0.00 0.00 0.00 175.10 176.46 1i4k n VAL 54 N -0.70 0.00 -3.62 2.92 0.24 -0.52 -4.85 118.33 111.80 1i4k n VAL 54 Ca 0.08 -0.18 -0.03 0.00 -2.04 0.00 0.00 64.34 62.17 1i4k n VAL 54 Cb 0.45 0.78 -0.02 0.00 -1.47 0.00 0.00 33.84 33.58 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 -0.67 0.16 -0.06 7.34 3.52 -1.24 -4.99 118.95 123.01 1i4k s ARG 55 Ca 0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 55.73 55.55 1i4k s ARG 55 Cb 0.00 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.49 1i4k s ARG 55 CO 0.00 -0.07 -0.05 0.15 -0.81 0.00 0.00 175.30 174.53 1i4k s LYS 56 N -2.19 0.97 0.14 5.12 1.02 -1.26 -1.25 119.74 122.30 1i4k s LYS 56 Ca 0.11 -0.11 0.11 0.00 0.02 0.00 0.00 55.97 56.10 1i4k s LYS 56 Cb -0.01 -1.05 -0.04 0.00 -0.52 0.00 0.00 37.83 36.21 1i4k s LYS 56 CO -0.03 -0.15 -0.26 0.14 -0.92 0.00 0.00 175.35 174.12 1i4k s VAL 57 N 1.27 2.25 0.15 3.17 -7.23 -0.61 -5.01 120.40 114.40 1i4k s VAL 57 Ca -0.05 -1.81 0.07 0.00 -1.81 0.00 0.00 61.98 58.38 1i4k s VAL 57 Cb -0.14 -2.01 -0.17 0.00 0.56 0.00 0.00 36.38 34.63 1i4k s VAL 57 CO -0.02 0.03 1.35 1.23 -0.31 0.00 0.00 175.10 177.38 1i4k h GLY 58 N 3.73 0.02 -3.95 2.32 0.00 -1.92 -1.24 103.07 102.04 1i4k h GLY 58 Ca -0.50 -0.05 -0.08 0.00 0.00 0.00 0.00 47.33 46.71 1i4k h GLY 58 CO 0.41 0.04 -0.04 -1.35 0.00 0.00 0.00 176.54 175.60 1i4k s SER 59 N -6.77 -0.39 -0.17 0.19 1.04 -1.26 0.14 113.70 106.48 1i4k s SER 59 Ca 0.00 0.22 -0.15 0.00 0.48 0.00 0.00 55.95 56.50 1i4k s SER 59 Cb 0.10 0.44 0.05 0.00 0.10 0.00 0.00 66.02 66.71 1i4k s SER 59 CO 0.81 -0.62 0.46 0.54 0.98 0.00 0.00 173.24 175.41 1i4k s VAL 60 N -1.92 -0.00 -0.17 5.02 0.11 -0.43 -4.98 120.40 118.03 1i4k s VAL 60 Ca -0.08 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 58.94 1i4k s VAL 60 Cb -0.02 -0.65 -0.02 0.00 -1.53 0.00 0.00 36.38 34.17 1i4k s VAL 60 CO 0.02 0.00 -0.04 -0.69 -3.33 0.00 0.00 175.10 171.06 1i4k s VAL 61 N 0.38 3.76 -0.17 2.04 1.01 -1.26 -1.52 120.40 124.64 1i4k s VAL 61 Ca -0.01 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 1i4k s VAL 61 Cb -0.04 -2.66 -0.01 0.00 0.00 0.00 0.00 36.38 33.67 1i4k s VAL 61 CO -0.01 0.48 -0.08 -0.63 0.00 0.00 0.00 175.10 174.85 1i4k s ILE 62 N 0.60 3.27 0.16 2.22 1.01 -0.14 -4.98 121.20 123.35 1i4k s ILE 62 Ca -0.03 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.75 1i4k s ILE 62 Cb -0.14 -2.43 -0.09 0.00 0.01 0.00 0.00 42.46 39.80 1i4k s ILE 62 CO 0.03 0.48 1.50 -0.13 0.00 0.00 0.00 174.94 176.82 1i4k s ARG 63 N 0.84 4.25 0.20 2.79 1.81 -1.26 -1.20 118.95 126.38 1i4k s ARG 63 Ca -0.03 2.27 -0.11 0.00 -1.72 0.00 0.00 55.73 56.14 1i4k s ARG 63 Cb -0.15 -3.17 0.23 0.00 -0.45 0.00 0.00 34.95 31.41 1i4k s ARG 63 CO 0.01 -0.53 1.73 0.78 -0.68 0.00 0.00 175.30 176.60 1i4k h GLY 64 N 6.57 0.71 1.76 -3.53 0.00 -1.79 -2.48 103.07 104.31 1i4k h GLY 64 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1i4k h GLY 64 CO 0.88 -0.05 0.09 2.09 0.00 0.00 0.00 176.54 179.54 1i4k n ASP 65 N -5.07 0.44 0.08 0.19 5.75 -1.26 -0.68 116.55 116.00 1i4k n ASP 65 Ca 0.07 0.67 0.11 0.00 -0.01 0.00 0.00 54.79 55.64 1i4k n ASP 65 Cb 0.26 -0.70 -0.02 0.00 -1.03 0.00 0.00 41.12 39.63 1i4k n ASP 65 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1i4k n THR 66 N -2.11 0.51 -2.37 2.12 -1.04 -0.93 -4.93 114.28 105.52 1i4k n THR 66 Ca -0.01 -0.52 -0.41 0.00 -2.04 0.00 0.00 64.05 61.07 1i4k n THR 66 Cb 0.11 -0.26 -0.04 0.00 -1.82 0.00 0.00 70.33 68.32 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 -3.38 3.43 -0.24 12.58 1.01 0.14 -0.17 120.40 133.78 1i4k s VAL 67 Ca -0.01 1.30 -0.10 0.00 0.00 0.00 0.00 61.98 63.17 1i4k s VAL 67 Cb 0.10 -3.83 -0.11 0.00 0.00 0.00 0.00 36.38 32.55 1i4k s VAL 67 CO 0.81 0.25 -0.29 0.52 0.00 0.00 0.00 175.10 176.38 1i4k n VAL 68 N 1.91 1.33 -3.53 2.92 0.31 0.13 -4.86 118.33 116.54 1i4k n VAL 68 Ca 0.02 -0.37 -0.10 0.00 -0.01 0.00 0.00 64.34 63.88 1i4k n VAL 68 Cb 0.44 -1.74 -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 -2.45 -0.44 -0.05 3.52 -0.12 -1.19 -5.01 117.98 112.25 1i4k s PHE 69 Ca -0.33 0.18 0.01 0.00 -0.05 0.00 0.00 56.93 56.74 1i4k s PHE 69 Cb 0.12 0.59 0.02 0.00 -0.63 0.00 0.00 43.02 43.12 1i4k s PHE 69 CO 0.44 -0.89 -0.07 0.08 -0.05 0.00 0.00 175.22 174.74 1i4k s VAL 70 N -3.69 0.76 -0.03 -2.49 1.01 -1.26 -1.81 120.40 112.89 1i4k s VAL 70 Ca 0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 1i4k s VAL 70 Cb -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 36.38 35.63 1i4k s VAL 70 CO -0.08 0.27 0.15 -0.94 0.00 0.00 0.00 175.10 174.50 1i4k s SER 71 N 0.83 -0.06 0.39 3.32 1.04 -0.62 -4.96 113.70 113.64 1i4k s SER 71 Ca -0.12 0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.07 1i4k s SER 71 Cb -0.15 0.27 -0.11 0.00 0.10 0.00 0.00 66.02 66.13 1i4k s SER 71 CO 0.01 -0.24 1.20 -2.65 0.98 0.00 0.00 173.24 172.54 1i4k n PRO 72 N 2.11 1.81 0.00 4.02 -0.02 -1.26 0.32 135.00 141.98 1i4k n PRO 72 Ca -0.18 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.03 1i4k n PRO 72 Cb 0.57 -2.24 0.56 0.00 -0.02 0.00 0.00 33.50 32.37 1i4k n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48