#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk4 h ILE 3 N 0.00 1.25 -0.70 2.28 1.08 -1.99 -2.17 117.51 117.26 3hk4 h ILE 3 Ca 0.00 -1.02 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 3hk4 h ILE 3 Cb 0.00 0.80 -0.03 0.00 -3.07 0.00 0.00 36.82 34.51 3hk4 h ILE 3 CO 0.00 0.37 0.32 0.00 -0.69 0.00 0.00 178.15 178.15 3hk4 h ALA 4 N 1.18 0.90 -0.20 1.87 0.00 -1.97 0.12 119.26 121.16 3hk4 h ALA 4 Ca 0.16 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hk4 h ALA 4 Cb 0.46 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3hk4 h ALA 4 CO 0.02 0.48 0.11 0.93 0.00 0.00 0.00 179.25 180.79 3hk4 h GLU 5 N 0.98 0.29 -0.24 0.00 5.08 -1.92 0.23 114.58 118.99 3hk4 h GLU 5 Ca 0.24 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3hk4 h GLU 5 Cb 0.14 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 3hk4 h GLU 5 CO -0.03 0.27 0.15 0.82 -1.00 0.00 0.00 179.01 179.23 3hk4 h ILE 6 N 0.22 1.05 -0.78 3.13 2.04 -1.19 -1.02 117.51 120.96 3hk4 h ILE 6 Ca 0.07 -0.11 -0.03 0.00 1.00 0.00 0.00 64.86 65.80 3hk4 h ILE 6 Cb 0.07 0.71 -0.04 0.00 -0.74 0.00 0.00 36.82 36.82 3hk4 h ILE 6 CO -0.01 0.06 0.38 0.00 0.00 0.00 0.00 178.15 178.58 3hk4 h ALA 7 N 1.10 1.01 -0.14 1.87 0.00 -0.53 -0.95 119.26 121.61 3hk4 h ALA 7 Ca 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3hk4 h ALA 7 Cb -0.02 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3hk4 h ALA 7 CO -0.03 0.56 0.03 -0.22 0.00 0.00 0.00 179.25 179.60 3hk4 h LYS 8 N 1.10 0.23 -0.21 0.00 3.64 -0.34 -1.77 116.57 119.23 3hk4 h LYS 8 Ca 0.27 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.57 3hk4 h LYS 8 Cb 0.11 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 3hk4 h LYS 8 CO -0.03 0.38 0.05 0.22 -2.27 0.00 0.00 179.45 177.80 3hk4 h ASP 9 N 0.03 0.31 -0.53 4.20 3.58 -0.94 -1.13 116.42 121.94 3hk4 h ASP 9 Ca 0.04 -0.23 0.05 0.00 0.42 0.00 0.00 57.03 57.32 3hk4 h ASP 9 Cb 0.26 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 3hk4 h ASP 9 CO 0.00 0.46 0.25 0.15 -2.88 0.00 0.00 179.24 177.23 3hk4 h PHE 10 N 0.15 0.46 -0.22 0.28 3.57 -1.19 -0.94 116.94 119.05 3hk4 h PHE 10 Ca 0.06 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3hk4 h PHE 10 Cb 0.27 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 3hk4 h PHE 10 CO 0.01 0.21 0.08 1.15 -2.23 0.00 0.00 178.31 177.53 3hk4 h THR 11 N 0.49 1.17 -0.94 4.41 2.02 -1.20 -2.06 112.91 116.81 3hk4 h THR 11 Ca 0.24 -0.53 0.04 0.00 0.77 0.00 0.00 66.41 66.93 3hk4 h THR 11 Cb 0.17 1.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.65 3hk4 h THR 11 CO -0.18 0.17 0.61 -0.33 0.37 0.00 0.00 175.52 176.16 3hk4 h GLU 12 N 0.19 1.13 -0.51 6.66 4.39 -0.80 -0.07 114.58 125.57 3hk4 h GLU 12 Ca 0.07 -0.07 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3hk4 h GLU 12 Cb 0.19 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 28.56 3hk4 h GLU 12 CO -0.00 0.75 0.33 -0.07 -1.16 0.00 0.00 179.01 178.86 3hk4 h LEU 13 N 1.17 0.57 -0.74 1.33 3.38 -1.00 -1.79 115.31 118.23 3hk4 h LEU 13 Ca 0.38 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 3hk4 h LEU 13 Cb 0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3hk4 h LEU 13 CO -0.13 0.41 0.43 -0.07 0.09 0.00 0.00 178.44 179.17 3hk4 h LEU 14 N 0.68 0.90 -1.44 1.67 3.38 -0.66 0.22 115.31 120.06 3hk4 h LEU 14 Ca 0.19 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3hk4 h LEU 14 Cb -0.07 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 3hk4 h LEU 14 CO -0.05 0.71 -0.18 0.11 0.09 0.00 0.00 178.44 179.12 3hk4 h LYS 15 N 1.01 0.14 -0.00 1.13 1.57 -0.65 0.36 116.57 120.12 3hk4 h LYS 15 Ca 0.26 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3hk4 h LYS 15 Cb -0.01 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.28 3hk4 h LYS 15 CO -0.05 0.33 -0.11 1.04 -0.57 0.00 0.00 179.45 180.09 3hk4 n GLN 16 N -4.26 0.30 -0.62 3.15 6.02 -0.71 -4.92 117.38 116.34 3hk4 n GLN 16 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3hk4 n GLN 16 Cb 0.28 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.05 3hk4 n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3hk4 n GLY 17 N 1.39 0.64 2.82 1.08 0.00 0.12 -4.98 105.19 106.25 3hk4 n GLY 17 Ca 0.11 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.29 3hk4 n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hk4 n ASP 18 N 0.76 6.43 -0.17 1.61 2.03 0.73 -4.74 116.55 123.20 3hk4 n ASP 18 Ca 0.00 -3.33 -0.10 0.00 0.52 0.00 0.00 54.79 51.88 3hk4 n ASP 18 Cb 0.00 -1.33 0.00 0.00 -0.72 0.00 0.00 41.12 39.07 3hk4 n ASP 18 CO 0.00 0.00 0.00 0.78 -1.92 0.00 0.00 177.20 176.06 3hk4 h ASN 19 N 5.19 0.90 -0.72 1.67 2.35 -1.88 -2.20 115.58 120.89 3hk4 h ASN 19 Ca 0.39 -0.34 -0.03 0.00 -0.55 0.00 0.00 56.30 55.78 3hk4 h ASN 19 Cb 0.52 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.61 3hk4 h ASN 19 CO 1.42 1.03 0.34 0.00 -1.65 0.00 0.00 177.43 178.57 3hk4 h ALA 20 N 0.91 0.93 -0.18 -0.83 0.00 -1.97 -1.90 119.26 116.22 3hk4 h ALA 20 Ca 0.13 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3hk4 h ALA 20 Cb 0.60 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3hk4 h ALA 20 CO 0.04 0.50 -0.51 0.78 0.00 0.00 0.00 179.25 180.05 3hk4 h GLY 21 N 1.01 0.54 0.83 0.00 0.00 -1.93 -0.16 103.07 103.37 3hk4 h GLY 21 Ca 0.25 -0.61 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 3hk4 h GLY 21 CO -0.03 0.54 0.00 0.00 0.00 0.00 0.00 176.54 177.06 3hk4 h ALA 22 N 1.05 0.29 -0.05 3.60 0.00 -1.23 -0.53 119.26 122.40 3hk4 h ALA 22 Ca 0.01 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.75 3hk4 h ALA 22 Cb 1.03 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 3hk4 h ALA 22 CO 0.09 0.01 -0.20 0.00 0.00 0.00 0.00 179.25 179.16 3hk4 h ALA 23 N 0.80 -0.21 -0.38 0.00 0.00 -1.24 -0.14 119.26 118.09 3hk4 h ALA 23 Ca 0.06 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.90 3hk4 h ALA 23 Cb 0.39 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3hk4 h ALA 23 CO 0.01 -0.68 -0.15 1.49 0.00 0.00 0.00 179.25 179.92 3hk4 h GLU 24 N -0.29 0.69 -0.18 0.00 4.22 -0.97 -0.18 114.58 117.87 3hk4 h GLU 24 Ca 0.07 -0.24 -0.06 0.00 0.08 0.00 0.00 59.36 59.21 3hk4 h GLU 24 Cb 0.39 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 3hk4 h GLU 24 CO -0.22 0.81 -0.13 -0.22 -2.18 0.00 0.00 179.01 177.07 3hk4 h LYS 25 N 0.62 0.41 0.00 1.92 3.64 -0.95 -3.40 116.57 118.82 3hk4 h LYS 25 Ca 0.10 -0.20 -0.05 0.00 -1.27 0.00 0.00 60.65 59.23 3hk4 h LYS 25 Cb 0.61 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3hk4 h LYS 25 CO 0.04 0.75 -1.77 0.66 -2.27 0.00 0.00 179.45 176.86 3hk4 n TYR 26 N -4.53 0.00 -2.01 1.91 4.01 -0.08 -5.00 117.16 111.45 3hk4 n TYR 26 Ca -0.05 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.27 3hk4 n TYR 26 Cb 0.35 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 38.94 3hk4 n TYR 26 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 3hk4 s ASN 27 N -3.99 6.65 0.65 7.72 0.01 -0.08 -0.51 114.94 125.38 3hk4 s ASN 27 Ca -0.06 2.71 -0.14 0.00 -0.71 0.00 0.00 52.86 54.65 3hk4 s ASN 27 Cb 0.09 -2.63 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 3hk4 s ASN 27 CO 0.65 -0.68 1.08 0.00 -1.51 0.00 0.00 177.10 176.64 3hk4 s ALA 28 N -0.35 2.57 0.50 0.60 0.00 -0.21 -4.77 121.76 120.10 3hk4 s ALA 28 Ca 0.56 0.42 0.17 0.00 0.00 0.00 0.00 51.96 53.12 3hk4 s ALA 28 Cb -0.42 -3.27 1.25 0.00 0.00 0.00 0.00 23.12 20.68 3hk4 s ALA 28 CO 0.47 -1.14 2.11 -0.44 0.00 0.00 0.00 175.76 176.76 3hk4 h ASP 29 N 0.01 0.00 -0.55 0.00 3.32 -1.94 -2.37 116.42 114.89 3hk4 h ASP 29 Ca -0.46 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.30 3hk4 h ASP 29 Cb 1.23 0.00 -0.17 0.00 0.22 0.00 0.00 39.33 40.61 3hk4 h ASP 29 CO 0.55 0.06 0.14 -0.90 -1.72 0.00 0.00 179.24 177.37 3hk4 n ASP 30 N -4.39 2.88 -4.67 6.45 5.68 -1.26 -1.05 116.55 120.19 3hk4 n ASP 30 Ca -0.03 -3.75 -0.45 0.00 -0.50 0.00 0.00 54.79 50.07 3hk4 n ASP 30 Cb 0.14 -0.70 -0.03 0.00 -1.14 0.00 0.00 41.12 39.39 3hk4 n ASP 30 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3hk4 n ILE 31 N -1.13 0.93 -3.90 2.12 3.06 -0.89 -4.27 119.36 115.27 3hk4 n ILE 31 Ca 0.42 -0.23 -0.35 0.00 -2.50 0.00 0.00 62.75 60.09 3hk4 n ILE 31 Cb 1.23 -1.44 -0.10 0.00 0.54 0.00 0.00 39.64 39.88 3hk4 n ILE 31 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3hk4 s ALA 32 N -0.05 3.46 -0.12 1.51 0.00 -0.82 0.21 121.76 125.95 3hk4 s ALA 32 Ca 0.69 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.89 3hk4 s ALA 32 Cb -0.66 -2.02 0.01 0.00 0.00 0.00 0.00 23.12 20.45 3hk4 s ALA 32 CO 0.50 0.08 -0.19 0.45 0.00 0.00 0.00 175.76 176.60 3hk4 s SER 33 N 0.54 2.81 -0.33 0.00 0.15 0.14 -1.06 113.70 115.95 3hk4 s SER 33 Ca 0.05 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.19 3hk4 s SER 33 Cb -0.12 -1.29 0.08 0.00 -1.71 0.00 0.00 66.02 62.98 3hk4 s SER 33 CO 0.01 0.07 0.03 -0.31 1.20 0.00 0.00 173.24 174.23 3hk4 s TYR 34 N 0.80 3.52 0.61 3.44 2.02 0.03 -1.27 117.35 126.50 3hk4 s TYR 34 Ca -0.09 -2.51 -0.14 0.00 -0.37 0.00 0.00 57.07 53.96 3hk4 s TYR 34 Cb -0.16 -2.59 -0.03 0.00 -0.40 0.00 0.00 41.96 38.78 3hk4 s TYR 34 CO 0.00 -0.91 1.04 -1.21 -1.57 0.00 0.00 175.55 172.90 3hk4 s GLU 35 N 1.06 3.35 -1.46 -0.62 0.41 -0.46 -0.59 118.70 120.40 3hk4 s GLU 35 Ca 0.03 1.03 -0.10 0.00 -0.41 0.00 0.00 54.97 55.51 3hk4 s GLU 35 Cb -0.20 -2.04 -0.07 0.00 -1.78 0.00 0.00 34.13 30.04 3hk4 s GLU 35 CO -0.05 -0.77 2.69 0.00 -0.49 0.00 0.00 175.26 176.64 3hk4 n ALA 36 N -2.37 6.69 -2.75 5.21 0.00 -1.07 -4.79 120.51 121.42 3hk4 n ALA 36 Ca 0.08 -3.30 -0.11 0.00 0.00 0.00 0.00 53.44 50.10 3hk4 n ALA 36 Cb 0.53 -3.34 -0.11 0.00 0.00 0.00 0.00 19.45 16.53 3hk4 n ALA 36 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3hk4 s GLU 38 N 2.61 0.53 0.00 0.00 8.01 -1.26 -4.95 118.70 123.64 3hk4 s GLU 38 Ca 0.61 -0.83 0.00 0.00 0.01 0.00 0.00 54.97 54.77 3hk4 s GLU 38 Cb 0.16 -0.17 0.00 0.00 -4.31 0.00 0.00 34.13 29.81 3hk4 s GLU 38 CO -0.05 0.01 0.00 0.41 0.01 0.00 0.00 175.26 175.64 3hk4 n GLY 39 N 1.22 2.14 0.00 -1.39 0.00 -1.26 -4.96 105.19 100.94 3hk4 n GLY 39 Ca -0.21 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3hk4 n GLY 39 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hk4 n PRO 40 N 0.00 0.00 -0.60 1.61 -0.02 -1.26 -4.73 135.00 130.00 3hk4 n PRO 40 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3hk4 n PRO 40 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3hk4 n PRO 40 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hk4 n ALA 42 N 0.00 0.00 -3.53 3.55 0.00 -1.26 -4.91 120.51 114.37 3hk4 n ALA 42 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3hk4 n ALA 42 Cb 0.00 -0.32 -0.17 0.00 0.00 0.00 0.00 19.45 18.96 3hk4 n ALA 42 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hk4 s VAL 43 N -2.72 1.49 -0.03 0.00 1.01 -1.26 -1.36 120.40 117.53 3hk4 s VAL 43 Ca 0.00 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.35 3hk4 s VAL 43 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.04 3hk4 s VAL 43 CO 0.00 0.44 -0.11 -0.55 0.00 0.00 0.00 175.10 174.88 3hk4 s SER 44 N 0.79 1.47 -0.12 3.32 0.15 -0.40 -4.99 113.70 113.91 3hk4 s SER 44 Ca -0.11 -0.23 0.03 0.00 0.70 0.00 0.00 55.95 56.34 3hk4 s SER 44 Cb -0.16 -0.44 0.01 0.00 -1.71 0.00 0.00 66.02 63.72 3hk4 s SER 44 CO 0.02 0.08 -0.21 -1.00 1.20 0.00 0.00 173.24 173.32 3hk4 s HIS 45 N 0.23 2.50 0.00 3.44 3.76 -1.26 -0.68 115.29 123.28 3hk4 s HIS 45 Ca -0.05 -1.18 0.00 0.00 -0.15 0.00 0.00 55.06 53.69 3hk4 s HIS 45 Cb -0.10 -1.71 0.00 0.00 1.11 0.00 0.00 32.58 31.88 3hk4 s HIS 45 CO 0.01 -0.53 0.00 0.41 -0.85 0.00 0.00 174.74 173.78 3hk4 n GLY 46 N 3.92 3.34 0.14 -2.22 0.00 0.13 -4.70 105.19 105.79 3hk4 n GLY 46 Ca -0.20 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.15 3hk4 n GLY 46 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3hk4 h LYS 47 N 0.00 0.36 -0.53 1.61 3.64 -1.26 -1.98 116.57 118.41 3hk4 h LYS 47 Ca 0.00 -0.12 -0.10 0.00 -1.27 0.00 0.00 60.65 59.15 3hk4 h LYS 47 Cb 0.00 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 3hk4 h LYS 47 CO 0.00 0.59 -0.08 1.49 -2.27 0.00 0.00 179.45 179.18 3hk4 h GLU 48 N 0.10 0.97 -0.92 1.90 4.57 -1.93 -1.83 114.58 117.44 3hk4 h GLU 48 Ca 0.05 -0.33 0.08 0.00 -1.18 0.00 0.00 59.36 57.98 3hk4 h GLU 48 Cb 0.44 -0.08 -0.07 0.00 -0.16 0.00 0.00 28.75 28.88 3hk4 h GLU 48 CO 0.01 1.00 0.57 0.00 -1.18 0.00 0.00 179.01 179.42 3hk4 h ALA 49 N 1.03 1.31 -0.11 2.92 0.00 -1.82 -0.91 119.26 121.68 3hk4 h ALA 49 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 3hk4 h ALA 49 Cb 0.62 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hk4 h ALA 49 CO 0.04 0.27 -0.54 1.25 0.00 0.00 0.00 179.25 180.27 3hk4 h LEU 50 N 0.99 0.35 -0.73 0.00 5.85 -0.82 0.20 115.31 121.14 3hk4 h LEU 50 Ca 0.42 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.91 3hk4 h LEU 50 Cb 0.28 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 3hk4 h LEU 50 CO -0.21 0.82 0.26 -0.09 -0.34 0.00 0.00 178.44 178.88 3hk4 h ARG 51 N 0.24 1.12 -0.24 1.25 2.43 -0.51 -0.62 114.38 118.05 3hk4 h ARG 51 Ca 0.00 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 3hk4 h ARG 51 Cb 1.03 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3hk4 h ARG 51 CO 0.09 0.94 0.08 1.96 -1.51 0.00 0.00 179.97 181.53 3hk4 h GLN 52 N 1.08 0.37 -0.34 0.20 4.20 -0.13 -1.75 115.11 118.74 3hk4 h GLN 52 Ca 0.24 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3hk4 h GLN 52 Cb 0.27 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.98 3hk4 h GLN 52 CO -0.01 0.45 0.22 -0.22 -0.67 0.00 0.00 178.83 178.59 3hk4 h LYS 53 N 0.22 0.45 -0.90 1.46 3.64 -0.93 -1.08 116.57 119.42 3hk4 h LYS 53 Ca 0.08 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.47 3hk4 h LYS 53 Cb 0.23 -0.10 -0.05 0.00 -0.41 0.00 0.00 32.23 31.90 3hk4 h LYS 53 CO -0.00 0.31 0.59 0.77 -2.27 0.00 0.00 179.45 178.85 3hk4 h SER 54 N 0.45 0.96 -0.20 4.20 0.02 -0.98 0.12 113.55 118.11 3hk4 h SER 54 Ca 0.12 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.04 3hk4 h SER 54 Cb -0.03 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3hk4 h SER 54 CO -0.03 0.64 0.01 -0.61 -1.14 0.00 0.00 176.83 175.71 3hk4 h GLN 55 N 1.10 0.34 -0.36 3.45 5.75 -1.07 -1.02 115.11 123.30 3hk4 h GLN 55 Ca 0.37 -0.11 0.06 0.00 -0.15 0.00 0.00 58.65 58.82 3hk4 h GLN 55 Cb 0.07 -0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.54 3hk4 h GLN 55 CO -0.12 0.54 0.07 2.35 -2.65 0.00 0.00 178.83 179.01 3hk4 h TRP 56 N 0.10 0.11 -0.05 3.99 7.01 -0.68 -1.30 115.95 125.13 3hk4 h TRP 56 Ca 0.06 0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.08 3hk4 h TRP 56 Cb 0.38 0.01 -0.00 0.00 -2.10 0.00 0.00 29.16 27.44 3hk4 h TRP 56 CO 0.03 0.01 0.03 2.35 -2.79 0.00 0.00 178.44 178.07 3hk4 h TRP 57 N 0.19 0.06 -0.88 2.65 7.01 -0.61 -2.18 115.95 122.19 3hk4 h TRP 57 Ca 0.17 0.00 0.05 0.00 2.11 0.00 0.00 58.89 61.22 3hk4 h TRP 57 Cb 0.20 -0.02 -0.06 0.00 -2.10 0.00 0.00 29.16 27.19 3hk4 h TRP 57 CO -0.20 0.07 0.56 1.96 -2.79 0.00 0.00 178.44 178.05 3hk4 h GLN 58 N 0.03 1.03 0.00 2.65 1.08 -0.97 -1.57 115.11 117.37 3hk4 h GLN 58 Ca 0.02 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.15 3hk4 h GLN 58 Cb 0.03 -0.23 0.00 0.00 -0.05 0.00 0.00 27.48 27.22 3hk4 h GLN 58 CO -0.00 0.68 0.00 0.93 -0.95 0.00 0.00 178.83 179.49 3hk4 h GLU 59 N 1.06 0.00 -0.34 1.46 5.08 -0.85 -3.17 114.58 117.82 3hk4 h GLU 59 Ca 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3hk4 h GLU 59 Cb 0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3hk4 h GLU 59 CO -0.14 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 177.96 3hk4 n ASN 60 N -2.53 2.91 -3.78 1.42 3.02 -0.64 -4.98 115.26 110.68 3hk4 n ASN 60 Ca 0.01 -1.90 -0.13 0.00 -0.03 0.00 0.00 54.58 52.53 3hk4 n ASN 60 Cb 0.25 -0.22 -0.11 0.00 -0.61 0.00 0.00 39.78 39.09 3hk4 n ASN 60 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 3hk4 s HIS 61 N -1.03 -0.28 -0.33 3.10 3.76 -0.89 -1.07 115.29 118.56 3hk4 s HIS 61 Ca 0.26 0.65 -0.07 0.00 -0.15 0.00 0.00 55.06 55.75 3hk4 s HIS 61 Cb 0.14 0.10 0.03 0.00 1.11 0.00 0.00 32.58 33.96 3hk4 s HIS 61 CO 0.19 -0.19 0.10 -2.00 -0.85 0.00 0.00 174.74 171.99 3hk4 s GLU 62 N -0.13 2.71 -0.28 1.40 2.12 -0.29 -4.77 118.70 119.45 3hk4 s GLU 62 Ca -0.03 -1.12 -0.21 0.00 0.36 0.00 0.00 54.97 53.97 3hk4 s GLU 62 Cb -0.03 -3.44 -0.01 0.00 0.26 0.00 0.00 34.13 30.91 3hk4 s GLU 62 CO 0.01 -0.62 0.66 0.08 -0.54 0.00 0.00 175.26 174.85 3hk4 s VAL 63 N 1.42 4.93 -0.33 3.70 1.01 -1.26 -1.00 120.40 128.87 3hk4 s VAL 63 Ca -0.01 1.04 0.23 0.00 0.00 0.00 0.00 61.98 63.24 3hk4 s VAL 63 Cb -0.19 -4.01 0.15 0.00 0.00 0.00 0.00 36.38 32.34 3hk4 s VAL 63 CO 0.03 -0.10 1.30 0.45 0.00 0.00 0.00 175.10 176.78 3hk4 h HIS 64 N 8.05 0.00 0.00 5.22 -0.00 -1.10 -3.49 115.15 123.83 3hk4 h HIS 64 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.11 3hk4 h HIS 64 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.52 3hk4 h HIS 64 CO 0.76 0.00 0.00 0.41 -0.00 0.00 0.00 177.93 179.10 3hk4 n GLY 65 N 1.15 -1.32 0.00 2.45 0.00 -1.23 -4.95 105.19 101.28 3hk4 n GLY 65 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.47 3hk4 n GLY 65 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hk4 n GLY 66 N -1.26 -0.84 3.23 -0.02 0.00 -1.26 -1.18 105.19 103.85 3hk4 n GLY 66 Ca 0.00 -1.23 -0.09 0.00 0.00 0.00 0.00 46.02 44.70 3hk4 n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3hk4 s SER 67 N -4.00 0.14 -0.07 1.61 1.04 0.10 -4.98 113.70 107.56 3hk4 s SER 67 Ca 0.00 -0.77 0.02 0.00 0.48 0.00 0.00 55.95 55.67 3hk4 s SER 67 Cb 0.00 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.48 3hk4 s SER 67 CO 0.00 -0.76 -0.10 -0.69 0.98 0.00 0.00 173.24 172.67 3hk4 s VAL 68 N -3.90 1.02 -0.03 5.02 1.01 -1.26 -1.91 120.40 120.33 3hk4 s VAL 68 Ca 0.09 -0.39 0.06 0.00 0.00 0.00 0.00 61.98 61.74 3hk4 s VAL 68 Cb 0.05 -0.96 -0.01 0.00 0.00 0.00 0.00 36.38 35.46 3hk4 s VAL 68 CO -0.07 0.33 -0.21 -1.61 0.00 0.00 0.00 175.10 173.54 3hk4 s GLU 69 N 0.85 1.95 0.00 2.72 2.02 0.28 -4.96 118.70 121.56 3hk4 s GLU 69 Ca -0.11 -0.75 0.00 0.00 0.02 0.00 0.00 54.97 54.13 3hk4 s GLU 69 Cb -0.15 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.32 3hk4 s GLU 69 CO 0.01 0.37 0.00 0.41 0.02 0.00 0.00 175.26 176.08 3hk4 n GLY 70 N 2.84 0.91 3.84 -1.39 0.00 -1.26 -0.77 105.19 109.36 3hk4 n GLY 70 Ca -0.17 -1.95 -0.32 0.00 0.00 0.00 0.00 46.02 43.58 3hk4 n GLY 70 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3hk4 s PRO 71 N -1.72 4.07 -0.24 1.61 0.04 -1.26 -5.02 135.00 132.48 3hk4 s PRO 71 Ca 0.00 0.92 -0.04 0.00 0.04 0.00 0.00 61.00 61.93 3hk4 s PRO 71 Cb 0.00 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3hk4 s PRO 71 CO 0.00 -0.06 -0.02 0.71 0.04 0.00 0.00 177.00 177.66 3hk4 s TYR 72 N -2.28 3.01 0.03 0.56 2.02 -0.70 -4.94 117.35 115.05 3hk4 s TYR 72 Ca 0.59 -1.06 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 3hk4 s TYR 72 Cb -0.10 -2.12 -0.04 0.00 -0.40 0.00 0.00 41.96 39.31 3hk4 s TYR 72 CO 0.21 -0.59 -0.02 0.08 -1.57 0.00 0.00 175.55 173.66 3hk4 s VAL 73 N 1.45 3.96 -0.24 0.71 1.01 -1.26 -0.35 120.40 125.69 3hk4 s VAL 73 Ca 0.04 -0.77 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 3hk4 s VAL 73 Cb -0.15 -2.79 0.13 0.00 0.00 0.00 0.00 36.38 33.56 3hk4 s VAL 73 CO -0.03 0.30 0.43 0.21 0.00 0.00 0.00 175.10 176.02 3hk4 s ASN 74 N -1.75 -0.21 1.77 3.32 3.84 -0.18 -5.00 114.94 116.74 3hk4 s ASN 74 Ca 0.21 0.65 0.00 0.00 0.21 0.00 0.00 52.86 53.92 3hk4 s ASN 74 Cb -0.11 1.39 0.00 0.00 -0.55 0.00 0.00 41.25 41.98 3hk4 s ASN 74 CO 0.12 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.77 3hk4 n GLY 75 N 5.39 2.98 0.91 1.21 0.00 -1.26 -2.05 105.19 112.36 3hk4 n GLY 75 Ca -0.05 -0.21 0.05 0.00 0.00 0.00 0.00 46.02 45.81 3hk4 n GLY 75 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3hk4 n ASP 76 N 5.85 2.59 -4.27 1.61 5.75 -1.26 -4.91 116.55 121.91 3hk4 n ASP 76 Ca 0.00 -2.20 -0.16 0.00 -0.01 0.00 0.00 54.79 52.42 3hk4 n ASP 76 Cb 0.00 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 39.59 3hk4 n ASP 76 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 3hk4 s GLN 77 N -1.66 1.10 0.02 0.11 -0.21 -0.87 -0.44 119.66 117.70 3hk4 s GLN 77 Ca 0.26 -1.41 -0.00 0.00 0.02 0.00 0.00 55.36 54.23 3hk4 s GLN 77 Cb 0.16 -0.81 -0.02 0.00 1.00 0.00 0.00 33.01 33.34 3hk4 s GLN 77 CO 0.13 0.13 -0.02 -0.59 -2.12 0.00 0.00 175.29 172.82 3hk4 s PHE 78 N -2.86 0.24 0.17 0.91 -0.71 -0.24 -1.01 117.98 114.49 3hk4 s PHE 78 Ca 0.15 -0.49 0.11 0.00 -1.04 0.00 0.00 56.93 55.66 3hk4 s PHE 78 Cb -0.01 -0.18 -0.04 0.00 -1.21 0.00 0.00 43.02 41.58 3hk4 s PHE 78 CO 0.03 -0.19 -0.24 0.00 -1.34 0.00 0.00 175.22 173.48 3hk4 s ALA 79 N -1.43 2.53 0.05 1.99 0.00 0.53 -0.19 121.76 125.23 3hk4 s ALA 79 Ca -0.16 -1.58 0.03 0.00 0.00 0.00 0.00 51.96 50.26 3hk4 s ALA 79 Cb -0.10 -0.38 -0.03 0.00 0.00 0.00 0.00 23.12 22.61 3hk4 s ALA 79 CO -0.01 0.47 -0.09 -0.51 0.00 0.00 0.00 175.76 175.62 3hk4 s LEU 80 N -2.51 2.26 -0.17 0.00 1.43 0.18 -1.71 118.68 118.17 3hk4 s LEU 80 Ca 0.19 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.71 3hk4 s LEU 80 Cb -0.09 -0.25 -0.01 0.00 0.03 0.00 0.00 46.19 45.88 3hk4 s LEU 80 CO 0.09 -0.17 -0.10 -0.60 0.23 0.00 0.00 176.35 175.80 3hk4 s ARG 81 N -1.62 3.38 -0.09 1.70 3.52 0.05 -0.89 118.95 125.00 3hk4 s ARG 81 Ca -0.08 -0.66 0.01 0.00 -0.13 0.00 0.00 55.73 54.87 3hk4 s ARG 81 Cb -0.10 -2.78 -0.02 0.00 -1.56 0.00 0.00 34.95 30.49 3hk4 s ARG 81 CO 0.01 0.05 -0.11 -0.06 -0.81 0.00 0.00 175.30 174.37 3hk4 s PHE 82 N 0.80 2.82 -0.17 5.12 0.08 0.10 -0.56 117.98 126.17 3hk4 s PHE 82 Ca -0.04 -0.29 -0.04 0.00 0.12 0.00 0.00 56.93 56.68 3hk4 s PHE 82 Cb -0.15 -1.75 0.06 0.00 -0.57 0.00 0.00 43.02 40.61 3hk4 s PHE 82 CO 0.01 0.07 0.07 0.21 -0.10 0.00 0.00 175.22 175.48 3hk4 s LYS 83 N -0.29 0.21 0.03 0.44 2.20 -0.80 -1.31 119.74 120.21 3hk4 s LYS 83 Ca 0.03 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.51 3hk4 s LYS 83 Cb -0.13 -1.83 -0.02 0.00 -1.51 0.00 0.00 37.83 34.35 3hk4 s LYS 83 CO 0.03 -0.64 -0.05 -0.59 -0.36 0.00 0.00 175.35 173.73 3hk4 s PHE 84 N 2.07 0.45 -0.13 4.03 -0.12 -1.26 -0.72 117.98 122.30 3hk4 s PHE 84 Ca 0.01 -0.45 -0.11 0.00 -0.05 0.00 0.00 56.93 56.34 3hk4 s PHE 84 Cb -0.16 -0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 41.90 3hk4 s PHE 84 CO -0.08 -0.11 0.22 -0.51 -0.05 0.00 0.00 175.22 174.68 3hk4 s ASP 85 N -1.32 6.43 -0.04 1.98 1.11 -0.32 -4.34 116.67 120.16 3hk4 s ASP 85 Ca -0.11 0.50 -0.14 0.00 0.18 0.00 0.00 52.55 52.99 3hk4 s ASP 85 Cb -0.09 -2.14 0.02 0.00 1.07 0.00 0.00 42.92 41.79 3hk4 s ASP 85 CO -0.00 0.25 0.30 0.54 1.18 0.00 0.00 175.17 177.45 3hk4 s VAL 86 N -0.28 0.04 -0.30 -1.27 0.11 0.17 -0.39 120.40 118.48 3hk4 s VAL 86 Ca 0.15 -0.36 0.01 0.00 -2.93 0.00 0.00 61.98 58.85 3hk4 s VAL 86 Cb -0.13 -0.56 0.07 0.00 -1.53 0.00 0.00 36.38 34.23 3hk4 s VAL 86 CO 0.04 -0.20 -0.03 -0.89 -3.33 0.00 0.00 175.10 170.69 3hk4 s THR 87 N -0.94 2.52 0.24 5.04 2.01 -0.17 -0.88 115.64 123.46 3hk4 s THR 87 Ca -0.10 -1.71 -0.30 0.00 0.31 0.00 0.00 61.69 59.89 3hk4 s THR 87 Cb -0.05 -2.55 -0.09 0.00 0.01 0.00 0.00 72.50 69.82 3hk4 s THR 87 CO 0.03 -0.20 1.31 -2.84 -0.69 0.00 0.00 174.62 172.23 3hk4 s PRO 88 N 1.12 4.39 0.44 4.92 0.02 -1.26 -1.14 135.00 143.49 3hk4 s PRO 88 Ca -0.03 2.10 0.12 0.00 0.02 0.00 0.00 61.00 63.21 3hk4 s PRO 88 Cb -0.20 -3.15 1.01 0.00 0.02 0.00 0.00 34.50 32.18 3hk4 s PRO 88 CO -0.04 -0.22 2.05 0.87 -0.33 0.00 0.00 177.00 179.33 3hk4 h LYS 89 N 4.74 0.37 -0.65 5.54 1.57 -1.48 0.14 116.57 126.80 3hk4 h LYS 89 Ca -0.46 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 3hk4 h LYS 89 Cb 1.22 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.39 3hk4 h LYS 89 CO 0.74 0.24 0.36 0.00 -0.57 0.00 0.00 179.45 180.22 3hk4 h ALA 90 N 1.78 0.86 0.00 3.86 0.00 -1.92 -3.33 119.26 120.52 3hk4 h ALA 90 Ca 0.16 0.02 -0.31 0.00 0.00 0.00 0.00 54.91 54.79 3hk4 h ALA 90 Cb 0.18 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3hk4 h ALA 90 CO -0.04 0.03 -2.16 0.25 0.00 0.00 0.00 179.25 177.33 3hk4 n THR 91 N -4.80 1.16 -0.94 0.00 -2.24 -1.08 -4.99 114.28 101.38 3hk4 n THR 91 Ca 0.08 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 3hk4 n THR 91 Cb 0.17 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 3hk4 n THR 91 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hk4 n GLY 92 N 2.11 0.57 3.47 3.38 0.00 0.48 -4.99 105.19 110.20 3hk4 n GLY 92 Ca -0.30 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 3hk4 n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hk4 s GLU 93 N -0.37 3.69 0.09 1.61 1.03 -1.26 -4.96 118.70 118.54 3hk4 s GLU 93 Ca 0.00 -0.47 -0.31 0.00 0.03 0.00 0.00 54.97 54.22 3hk4 s GLU 93 Cb 0.00 -3.26 -0.07 0.00 -0.80 0.00 0.00 34.13 30.00 3hk4 s GLU 93 CO 0.00 -0.09 1.26 0.50 -1.33 0.00 0.00 175.26 175.61 3hk4 s ARG 94 N 1.33 4.40 0.06 -4.83 3.52 -1.26 -4.23 118.95 117.93 3hk4 s ARG 94 Ca 0.05 1.89 -0.00 0.00 -0.13 0.00 0.00 55.73 57.53 3hk4 s ARG 94 Cb -0.15 -3.30 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3hk4 s ARG 94 CO 0.03 -0.30 -0.04 0.14 -0.81 0.00 0.00 175.30 174.32 3hk4 s VAL 95 N 0.94 0.33 0.29 7.11 -7.23 -0.06 -4.96 120.40 116.81 3hk4 s VAL 95 Ca 0.60 -1.67 0.04 0.00 -1.81 0.00 0.00 61.98 59.14 3hk4 s VAL 95 Cb -0.32 -1.33 0.05 0.00 0.56 0.00 0.00 36.38 35.34 3hk4 s VAL 95 CO 0.30 -0.87 0.40 0.41 -0.31 0.00 0.00 175.10 175.04 3hk4 n THR 96 N 0.36 0.00 0.00 5.32 -1.04 -1.26 -0.66 114.28 117.00 3hk4 n THR 96 Ca -0.15 -0.93 0.00 0.00 -2.04 0.00 0.00 64.05 60.93 3hk4 n THR 96 Cb 0.60 -0.80 0.00 0.00 -1.82 0.00 0.00 70.33 68.31 3hk4 n THR 96 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3hk4 n ASP 98 N -2.70 0.00 -4.06 8.00 2.03 -1.26 -4.94 116.55 113.62 3hk4 n ASP 98 Ca 0.08 0.00 -0.10 0.00 0.52 0.00 0.00 54.79 55.29 3hk4 n ASP 98 Cb 0.29 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.61 3hk4 n ASP 98 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3hk4 s GLU 99 N 0.00 1.12 -0.07 -0.67 2.02 -0.43 -4.72 118.70 115.95 3hk4 s GLU 99 Ca 0.00 -1.32 0.05 0.00 0.02 0.00 0.00 54.97 53.72 3hk4 s GLU 99 Cb 0.00 0.33 -0.01 0.00 0.10 0.00 0.00 34.13 34.55 3hk4 s GLU 99 CO 0.00 -0.38 -0.24 0.08 0.02 0.00 0.00 175.26 174.73 3hk4 s VAL 100 N -4.02 2.04 -0.11 2.63 1.01 -0.65 -0.72 120.40 120.57 3hk4 s VAL 100 Ca 0.23 -1.04 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 3hk4 s VAL 100 Cb 0.05 -1.74 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 3hk4 s VAL 100 CO 0.03 0.56 -0.02 -0.83 0.00 0.00 0.00 175.10 174.84 3hk4 s GLY 101 N 0.05 1.79 -0.16 4.51 0.00 -0.07 -0.31 107.32 113.13 3hk4 s GLY 101 Ca -0.10 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 43.81 3hk4 s GLY 101 CO 0.06 -0.40 -0.18 -2.27 0.00 0.00 0.00 173.10 170.31 3hk4 s LEU 102 N -0.42 2.28 -0.13 0.66 2.96 0.32 -0.64 118.68 123.71 3hk4 s LEU 102 Ca 0.07 -0.56 0.02 0.00 -0.22 0.00 0.00 54.13 53.45 3hk4 s LEU 102 Cb -0.12 -1.51 -0.00 0.00 0.50 0.00 0.00 46.19 45.06 3hk4 s LEU 102 CO 0.02 0.06 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.61 3hk4 s TYR 103 N 0.93 2.68 -0.17 5.38 1.51 0.73 -1.18 117.35 127.23 3hk4 s TYR 103 Ca -0.04 -1.06 -0.08 0.00 -1.01 0.00 0.00 57.07 54.89 3hk4 s TYR 103 Cb -0.15 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.86 3hk4 s TYR 103 CO -0.03 -0.45 0.09 0.99 -1.11 0.00 0.00 175.55 175.03 3hk4 s THR 104 N 0.57 5.03 -0.08 -0.71 2.01 -0.33 -1.08 115.64 121.05 3hk4 s THR 104 Ca -0.12 0.05 0.04 0.00 0.31 0.00 0.00 61.69 61.97 3hk4 s THR 104 Cb -0.16 -3.25 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 3hk4 s THR 104 CO 0.04 0.50 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.56 3hk4 s VAL 105 N 0.01 2.36 -0.05 3.82 1.01 0.41 -0.33 120.40 127.63 3hk4 s VAL 105 Ca 0.07 -0.94 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 3hk4 s VAL 105 Cb -0.12 -1.91 0.04 0.00 0.00 0.00 0.00 36.38 34.39 3hk4 s VAL 105 CO 0.00 0.56 0.09 -0.75 0.00 0.00 0.00 175.10 175.01 3hk4 s LYS 106 N 0.03 -0.01 -1.51 2.72 2.20 0.03 -4.83 119.74 118.38 3hk4 s LYS 106 Ca -0.08 0.36 -0.12 0.00 -0.36 0.00 0.00 55.97 55.77 3hk4 s LYS 106 Cb -0.15 -0.31 0.07 0.00 -1.51 0.00 0.00 37.83 35.93 3hk4 s LYS 106 CO 0.05 -0.24 0.97 0.09 -0.36 0.00 0.00 175.35 175.86 3hk4 n ASN 107 N 4.73 -4.56 0.00 1.43 3.02 -1.26 -1.88 115.26 116.75 3hk4 n ASN 107 Ca -0.16 -0.77 0.00 0.00 -0.03 0.00 0.00 54.58 53.62 3hk4 n ASN 107 Cb 0.50 -3.96 0.00 0.00 -0.61 0.00 0.00 39.78 35.72 3hk4 n ASN 107 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3hk4 n GLY 108 N -1.70 0.70 3.22 7.41 0.00 -1.26 -5.02 105.19 108.54 3hk4 n GLY 108 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 3hk4 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk4 s LYS 109 N -0.11 1.11 -0.38 1.61 -0.14 -0.79 -4.92 119.74 116.12 3hk4 s LYS 109 Ca 0.00 -0.96 -0.29 0.00 -1.36 0.00 0.00 55.97 53.36 3hk4 s LYS 109 Cb 0.00 -1.23 0.01 0.00 -1.68 0.00 0.00 37.83 34.93 3hk4 s LYS 109 CO 0.00 0.30 1.31 0.42 -0.76 0.00 0.00 175.35 176.62 3hk4 s ILE 110 N -0.99 4.06 -0.14 2.17 1.01 0.34 -0.79 121.20 126.86 3hk4 s ILE 110 Ca 0.04 1.13 0.19 0.00 0.00 0.00 0.00 60.65 62.01 3hk4 s ILE 110 Cb -0.09 -4.27 -0.17 0.00 0.01 0.00 0.00 42.46 37.95 3hk4 s ILE 110 CO 0.02 -0.70 0.69 1.07 0.00 0.00 0.00 174.94 176.03 3hk4 n THR 111 N 6.69 0.89 -3.75 2.92 5.66 0.55 -1.05 114.28 126.21 3hk4 n THR 111 Ca 0.15 -0.65 -0.13 0.00 -3.05 0.00 0.00 64.05 60.36 3hk4 n THR 111 Cb 0.48 -0.49 -0.10 0.00 -1.55 0.00 0.00 70.33 68.67 3hk4 n THR 111 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3hk4 s GLU 112 N -3.05 0.51 -0.04 1.09 2.12 -1.22 -1.94 118.70 116.16 3hk4 s GLU 112 Ca -0.04 0.30 0.03 0.00 0.36 0.00 0.00 54.97 55.61 3hk4 s GLU 112 Cb 0.09 0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.73 3hk4 s GLU 112 CO 0.83 -0.09 -0.13 -1.83 -0.54 0.00 0.00 175.26 173.50 3hk4 s GLU 113 N -0.28 1.45 -0.05 4.30 -1.05 -0.22 -1.18 118.70 121.67 3hk4 s GLU 113 Ca -0.04 -0.43 0.01 0.00 -0.15 0.00 0.00 54.97 54.35 3hk4 s GLU 113 Cb -0.03 -1.27 0.02 0.00 -0.44 0.00 0.00 34.13 32.41 3hk4 s GLU 113 CO 0.02 0.13 -0.05 0.50 0.95 0.00 0.00 175.26 176.80 3hk4 s ARG 114 N 0.30 0.93 -0.09 -4.83 3.52 -0.33 -0.79 118.95 117.67 3hk4 s ARG 114 Ca -0.07 -0.14 0.01 0.00 -0.13 0.00 0.00 55.73 55.40 3hk4 s ARG 114 Cb -0.12 -0.91 -0.02 0.00 -1.56 0.00 0.00 34.95 32.33 3hk4 s ARG 114 CO 0.02 -0.07 -0.12 -0.06 -0.81 0.00 0.00 175.30 174.26 3hk4 s PHE 115 N 0.91 2.81 -0.09 5.12 0.08 0.24 -0.52 117.98 126.52 3hk4 s PHE 115 Ca -0.11 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.66 3hk4 s PHE 115 Cb -0.14 -1.74 -0.02 0.00 -0.57 0.00 0.00 43.02 40.55 3hk4 s PHE 115 CO 0.00 0.06 -0.16 0.71 -0.10 0.00 0.00 175.22 175.73 3hk4 s TYR 116 N -0.29 2.70 0.00 0.36 1.51 0.58 -2.59 117.35 119.62 3hk4 s TYR 116 Ca 0.03 -0.54 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3hk4 s TYR 116 Cb -0.13 -1.73 0.00 0.00 -0.11 0.00 0.00 41.96 39.99 3hk4 s TYR 116 CO 0.03 -0.11 0.03 0.98 -1.11 0.00 0.00 175.55 175.37